0 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,0,0,0,0,0|1,0,1]=2 3 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,0,0,0,0,0|1,0,3]=4 8 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,0,0,0,0,0|1,0,3]=4 9 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,0,0,0,0,0|1,0,2]=3 11 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,0,0,0,0,0|2,0,2]=4 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#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.74 C#CCCCCNC(=O)NC 2708a_100000706060_106832991635 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.74 C#CCCCCNC(=O)NC 2708a_100102657272_100000706060 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.74 C#CCCCCNC(=O)NC 273464a_100000706060_100102657272 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.74 C#CCCCCNC(=O)NC 273464a_100102657272_100000706060 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.74 C#CCCCCNC(=O)NC 512a_100000706060_100102657272 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.74 C#CCCCCNC(=O)NC 512a_106832991638_100000706060 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.74 C#CCCCNCC(=O)NC 2230a_100000693194_100000731252 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.74 C#CCCCNCC(=O)NC 34a_100000718082_100000183359 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,0,0,0,0,0|1,0,2]=3 30 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,0,0,0,0,0|1,0,2]=3 36 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,0,0,0,0,0|1,0,2]=3 37 B10R0.74 C#CCCCSCC(=O)CC 62a_100000747405_100011215417 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.74 C#CCCCSCC(=O)CC 62a_100011215417_100000747405 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.74 C#CCCCSCC(=O)NC 62a_100000183359_100011215417 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.74 C#CCCCSCC(=O)NC 62a_100011215417_100000183359 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,0,0,0,0,0|1,0,2]=3 42 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,0,0,0,0,0|1,0,2]=3 43 B10R0.74 C#CCCNCCC(=O)NC 2230a_100000738227_100000688953 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.74 C#CCCNCCC(=O)NC 34a_100000738227_100000688953 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.74 C#CCCNCCC(=O)NC 34a_100000755551_100012179268 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,0,0,0,0,0|1,0,2]=3 47 B10R0.74 C#CCCOCCC(=O)NC 34a_100000754576_100000688953 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.74 C#CCCOCCC(=O)NC 34a_100011215631_100012179268 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,0,0,0,0,0|1,0,2]=3 50 B10R0.74 C#CCCSCCC(=O)NC 62a_100000688953_100000737683 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.74 C#CCCSCCC(=O)NC 62a_100000737683_100000688953 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,0,0,0,0,0|1,0,2]=3 53 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,0,0,0,0,0|1,0,2]=3 54 B10R0.74 C#CCCSCOC(=O)OC 62a_100000688953_100000139417 [0,0,0,0,0,0|2,0,2]=4 55 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,0,0,0,0,0|1,0,2]=3 59 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,0,0,0,0,0|1,0,2]=3 61 B10R0.74 C#CCOCCNC(=O)OC 34a_100000757965_100000184674 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.74 C#CCOCCOC(=O)OC 34a_100010262106_100000184674 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,0,0,0,0,0|1,0,2]=3 65 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,0,0,0,0,0|1,0,2]=3 67 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,0,0,0,0,0|1,0,2]=3 71 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,0,0,0,0,0|2,0,2]=4 72 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,0,0,0,0,0|2,0,2]=4 73 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,0,0,0,0,0|1,0,2]=3 74 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,0,0,0,0,0|1,0,2]=3 75 B10R0.74 C/C=C/CSCOC(=O)OC 62a_100102629194_100000139417 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.74 C=C(C#N)CNCCCCC 2230a_100000209983_100000694840 [0,0,0,0,0,0|4,0,0]=4 77 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,0,0,0,0,0|4,0,0]=4 78 B10R0.74 C=C(C#N)CSCCCCC 62a_100000210326_100000694840 [0,0,0,0,0,0|4,0,0]=4 79 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,0,0,0,0,0|2,0,2]=4 80 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,0,0,0,0,0|1,0,1]=2 81 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,0,0,0,0,0|2,0,1]=3 82 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,0,0,0,0,0|2,0,1]=3 83 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,0,0,0,0,0|2,0,1]=3 84 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,0,0,0,0,0|2,0,1]=3 86 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,0,0,0,0,0|2,0,1]=3 87 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,0,0,0,0,0|3,0,1]=4 96 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,0,0,0,0,0|3,0,1]=4 97 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,0,0,0,0,0|3,0,1]=4 98 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,0,0,0,0,0|3,0,1]=4 99 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,0,0,0,0,0|3,0,1]=4 100 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,0,0,0,0,0|3,0,1]=4 101 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,0,0,0,0,0|1,0,3]=4 102 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,0,0,0,0,0|1,0,2]=3 103 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,0,0,0,0,0|1,0,2]=3 104 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,0,0,0,0,0|1,0,2]=3 107 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 108 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 109 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 110 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,0,0,0,0,0|2,0,2]=4 116 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,0,0,0,0,0|1,0,2]=3 124 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,0,0,0,0,0|1,0,2]=3 125 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,0,0,0,0,0|1,0,2]=3 131 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,0,0,0,0,0|1,0,2]=3 132 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,0,0,0,0,0|2,0,2]=4 133 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,0,0,0,0,0|2,0,2]=4 135 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,0,0,0,0,0|2,0,2]=4 136 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,0,0,0,0,0|1,0,2]=3 137 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,0,0,0,0,0|1,0,2]=3 138 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,0,0,0,0,0|2,0,2]=4 141 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,0,0,0,0,0|1,0,2]=3 142 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,0,0,0,0,0|2,0,2]=4 143 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,0,0,0,0,0|2,0,2]=4 144 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,0,0,0,0,0|1,0,2]=3 145 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,0,0,0,0,0|2,0,2]=4 146 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,0,0,0,0,0|2,0,2]=4 147 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,0,0,0,0,0|1,0,2]=3 148 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,0,0,0,0,0|1,0,2]=3 149 B10R0.74 C=CCCSCOC(=O)OC 62a_100000754431_100000139417 [0,0,0,0,0,0|2,0,2]=4 150 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,0,0,0,0,0|2,0,2]=4 151 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,0,0,0,0,0|2,0,2]=4 152 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,0,0,0,0,0|1,0,2]=3 154 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,0,0,0,0,0|2,0,2]=4 155 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,0,0,0,0,0|1,0,2]=3 156 B10R0.74 C=CCOCCNC(=O)OC 34a_100000757965_100015514636 [0,0,0,0,0,0|2,0,2]=4 157 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,0,0,0,0,0|2,0,2]=4 158 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,0,0,0,0,0|2,0,2]=4 159 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,0,0,0,0,0|2,0,2]=4 160 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,0,0,0,0,0|1,0,2]=3 161 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,0,0,0,0,0|1,0,2]=3 162 B10R0.74 C=COCCOCC(=O)OC 34a_100000033082_100000747449 [0,0,0,0,0,0|2,0,2]=4 163 B10R0.74 C=COCCSCC(=O)OC 62a_100000039644_100000747449 [0,0,0,0,0,0|2,0,2]=4 164 B10R0.74 C=COCCSCC(=O)OC 62a_100000747449_100000039644 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,0,0,0,0,0|2,0,2]=4 166 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,0,0,0,0,0|1,0,2]=3 167 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000685387_100000737683 [0,0,0,0,0,0|2,0,2]=4 168 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000738227_100000748600 [0,0,0,0,0,0|2,0,2]=4 169 B10R0.74 CC#CCNCCC(=O)NC 34a_100000685387_100012179268 [0,0,0,0,0,0|2,0,2]=4 170 B10R0.74 CC#CCNCCC(=O)NC 34a_100000738227_100000748600 [0,0,0,0,0,0|2,0,2]=4 171 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,0,0,0,0,0|1,0,2]=3 172 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,0,0,0,0,0|1,0,2]=3 173 B10R0.74 CC#CCOCCC(=O)NC 34a_100000754576_100000748600 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.74 CC#CCOCCC(=O)NC 34a_100000761923_100012179268 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,0,0,0,0,0|1,0,2]=3 176 B10R0.74 CC#CCSCCC(=O)NC 62a_100000737683_100000748600 [0,0,0,0,0,0|2,0,2]=4 177 B10R0.74 CC#CCSCCC(=O)NC 62a_100000748600_100000737683 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,0,0,0,0,0|1,0,2]=3 179 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,0,0,0,0,0|1,0,2]=3 180 B10R0.74 CC#CCSCOC(=O)OC 62a_100000748600_100000139417 [0,0,0,0,0,0|2,0,2]=4 181 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [0,0,0,0,0,0|2,0,2]=4 182 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [0,0,0,0,0,0|2,0,2]=4 184 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [0,0,0,0,0,0|2,0,2]=4 185 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,0,0,0,0,0|1,0,2]=3 186 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,0,0,0,0,0|2,0,2]=4 187 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,0,0,0,0,0|2,0,2]=4 188 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [0,0,0,0,0,0|2,0,2]=4 189 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [0,0,0,0,0,0|2,0,2]=4 190 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,0,0,0,0,0|1,0,2]=3 191 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,0,0,0,0,0|1,0,2]=3 192 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,0,0,0,0,0|2,0,2]=4 193 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,0,0,0,0,0|2,0,2]=4 194 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,0,0,0,0,0|2,0,2]=4 195 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,0,0,0,0,0|2,0,2]=4 196 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,0,0,0,0,0|1,0,2]=3 198 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,0,0,0,0,0|1,0,2]=3 199 B10R0.74 CC=CCSCOC(=O)OC 62a_100000070051_100000139417 [0,0,0,0,0,0|2,0,2]=4 200 B10R0.74 CCC#CCNCC(=O)NC 2230a_100000693194_100009813939 [0,0,0,0,0,0|2,0,2]=4 201 B10R0.74 CCC#CCOCC(=O)CC 34a_100000725409_100009813939 [0,0,0,0,0,0|2,0,2]=4 202 B10R0.74 CCC#CCOCC(=O)NC 34a_100000032950_100000183359 [0,0,0,0,0,0|2,0,2]=4 203 B10R0.74 CCC#CCOCC(=O)NC 34a_100000750040_100009813939 [0,0,0,0,0,0|2,0,2]=4 204 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,0,0,0,0,0|1,0,2]=3 205 B10R0.74 CCC#CCSCC(=O)CC 62a_100000747405_100009813939 [0,0,0,0,0,0|2,0,2]=4 206 B10R0.74 CCC#CCSCC(=O)CC 62a_100009813939_100000747405 [0,0,0,0,0,0|2,0,2]=4 207 B10R0.74 CCC#CCSCC(=O)NC 62a_100000183359_100009813939 [0,0,0,0,0,0|2,0,2]=4 208 B10R0.74 CCC#CCSCC(=O)NC 62a_100009813939_100000183359 [0,0,0,0,0,0|2,0,2]=4 209 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,0,0,0,0,0|1,0,2]=3 210 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,0,0,0,0,0|1,0,2]=3 211 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,0,0,0,0,0|2,0,1]=3 212 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,0,0,0,0,0|2,0,0]=2 213 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,0,0,0,0,0|2,0,0]=2 214 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,0,0,0,0,0|2,0,0]=2 215 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,0,0,0,0,0|2,0,0]=2 216 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [0,0,0,0,0,0|4,0,0]=4 217 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,0,0,0,0,0|3,0,0]=3 218 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,0,0,0,0,0|3,0,0]=3 219 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,0,0,0,0,0|3,0,0]=3 220 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,0,0,0,0,0|3,0,0]=3 221 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,0,0,0,0,0|3,0,0]=3 222 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,0,0,0,0,0|3,0,0]=3 223 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,0,0,0,0,0|3,0,0]=3 224 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,0,0,0,0,0|3,0,0]=3 225 B10R0.74 CCC(=O)CSCCCC#N 62a_100000687738_100000747405 [0,0,0,0,0,0|3,0,1]=4 226 B10R0.74 CCC(=O)CSCCCC#N 62a_100000747405_100000687738 [0,0,0,0,0,0|3,0,1]=4 227 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,0,0,0,0,0|3,0,1]=4 228 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,0,0,0,0,0|3,0,1]=4 229 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,0,0,0,0,0|3,0,0]=3 230 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,0,0,0,0,0|3,0,0]=3 231 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,0,0,0,0,0|3,0,0]=3 232 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,0,0,0,0,0|3,0,0]=3 233 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,0,0,0,0,0|3,0,0]=3 234 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,0,0,0,0,0|3,0,0]=3 235 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,0,0,0,0,0|3,0,1]=4 236 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,0,0,0,0,0|3,0,1]=4 237 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,0,0,0,0,0|3,0,1]=4 238 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,0,0,0,0,0|3,0,1]=4 239 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,0,0,0,0,0|3,0,0]=3 240 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [0,0,0,0,0,0|4,0,0]=4 241 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,0,0,0,0,0|4,0,0]=4 242 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,0,0,0,0,0|4,0,0]=4 243 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,0,0,0,0,0|4,0,0]=4 244 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,0,0,0,0,0|4,0,0]=4 245 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,0,0,0,0,0|4,0,0]=4 246 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,0,0,0,0,0|4,0,0]=4 247 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,0,0,0,0,0|4,0,0]=4 248 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,0,0,0,0,0|4,0,0]=4 249 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,0,0,0,0,0|4,0,0]=4 250 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,0,0,0,0,0|4,0,0]=4 251 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,0,0,0,0,0|4,0,0]=4 252 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,0,0,0,0,0|4,0,0]=4 253 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,0,0,0,0,0|4,0,0]=4 254 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,0,0,0,0,0|3,0,1]=4 255 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,0,0,0,0,0|3,0,1]=4 256 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,0,0,0,0,0|1,0,2]=3 257 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,0,0,0,0,0|2,0,2]=4 258 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,0,0,0,0,0|1,0,2]=3 259 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 260 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 261 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 262 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,0,0,0,0,0|3,0,1]=4 263 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,0,0,0,0,0|1,0,2]=3 264 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,0,0,0,0,0|2,0,2]=4 265 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,0,0,0,0,0|1,0,2]=3 266 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,0,0,0,0,0|1,0,2]=3 267 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,0,0,0,0,0|2,0,2]=4 268 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,0,0,0,0,0|1,0,2]=3 269 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,0,0,0,0,0|1,0,2]=3 270 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,0,0,0,0,0|1,0,2]=3 271 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,0,0,0,0,0|1,0,0]=1 272 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,0,0,0,0,0|1,0,0]=1 273 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,0,0,0,0,0|2,0,0]=2 274 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,0,0,0,0,0|2,0,0]=2 275 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,0,0,0,0,0|1,0,0]=1 276 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 277 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 278 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 279 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,0,0,0,0,0|2,0,1]=3 280 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,0,0,0,0,0|2,0,1]=3 281 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,0,0,0,0,0|2,0,1]=3 282 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,0,0,0,0,0|2,0,1]=3 283 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,0,0,0,0,0|1,0,1]=2 284 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,0,0,0,0,0|1,0,1]=2 285 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,0,0,0,0,0|1,0,1]=2 286 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,0,0,0,0,0|1,0,1]=2 287 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,0,0,0,0,0|1,0,1]=2 288 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,0,0,0,0,0|1,1,1]=3 289 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,0,0,0,0,0|1,1,1]=3 290 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,0,0,0,0,0|1,1,1]=3 291 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,0,0,0,0,0|1,1,1]=3 292 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,0,0,0,0,0|3,0,0]=3 293 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,0,0,0,0,0|3,0,0]=3 294 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,0,0,0,0,0|3,0,0]=3 295 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,0,0,0,0,0|3,0,0]=3 296 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,0,0,0,0,0|3,0,0]=3 297 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,0,0,0,0,0|3,0,0]=3 298 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,0,0,0,0,0|4,0,0]=4 299 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,0,0,0,0,0|3,0,0]=3 300 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,0,0,0,0,0|3,0,0]=3 301 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,0,0,0,0,0|2,0,0]=2 302 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,0,0,0,0,0|2,0,0]=2 303 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,0,0,0,0,0|2,0,0]=2 304 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,0,0,0,0,0|2,0,0]=2 305 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,0,0,0,0,0|3,0,0]=3 306 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,0,0,0,0,0|3,0,0]=3 307 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,0,0,0,0,0|2,0,0]=2 308 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,0,0,0,0,0|2,0,0]=2 309 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,0,0,0,0,0|2,0,0]=2 310 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,0,0,0,0,0|2,0,0]=2 311 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,0,0,0,0,0|2,0,0]=2 312 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,0,0,0,0,0|2,0,0]=2 313 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,0,0,0,0,0|3,0,1]=4 314 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,0,0,0,0,0|3,0,1]=4 315 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,0,0,0,0,0|3,0,1]=4 316 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,0,0,0,0,0|3,0,1]=4 317 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,0,0,0,0,0|3,0,1]=4 318 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,0,0,0,0,0|3,0,1]=4 319 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,0,0,0,0,0|3,0,1]=4 320 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,0,0,0,0,0|2,0,1]=3 321 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,0,0,0,0,0|2,0,1]=3 322 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,0,0,0,0,0|2,0,0]=2 323 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,0,0,0,0,0|2,0,0]=2 324 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,0,0,0,0,0|1,0,0]=1 325 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,0,0,0,0,0|3,0,1]=4 326 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,0,0,0,0,0|3,0,1]=4 327 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,0,0,0,0,0|3,0,1]=4 328 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,0,0,0,0,0|2,0,2]=4 329 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,0,0,0,0,0|2,0,2]=4 330 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,0,0,0,0,0|3,0,1]=4 331 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,0,0,0,0,0|2,0,1]=3 332 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,0,0,0,0,0|3,0,0]=3 333 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,0,0,0,0,0|4,0,0]=4 334 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,0,0,0,0,0|3,0,0]=3 335 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,0,0,0,0,0|3,0,0]=3 336 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,0,0,0,0,0|3,0,0]=3 337 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,0,0,0,0,0|2,0,0]=2 338 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,0,0,0,0,0|2,0,0]=2 339 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,0,0,0,0,0|2,0,0]=2 340 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,0,0,0,0,0|2,0,0]=2 341 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,0,0,0,0,0|2,0,0]=2 342 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,0,0,0,0,0|1,0,0]=1 343 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,0,0,0,0,0|1,0,0]=1 344 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,0,0,0,0,0|3,0,1]=4 345 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,0,0,0,0,0|3,0,1]=4 346 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,0,0,0,0,0|2,0,1]=3 347 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,0,0,0,0,0|2,0,2]=4 348 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,0,0,0,0,0|2,0,2]=4 349 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,0,0,0,0,0|3,0,1]=4 350 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,0,0,0,0,0|3,0,1]=4 351 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,0,0,0,0,0|3,0,1]=4 352 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,0,0,0,0,0|2,0,0]=2 353 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,0,0,0,0,0|2,0,0]=2 354 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,0,0,0,0,0|2,0,0]=2 355 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,0,0,0,0,0|2,0,0]=2 356 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,0,0,0,0,0|1,0,0]=1 357 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,0,0,0,0,0|1,0,0]=1 358 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,0,0,0,0,0|3,0,1]=4 359 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,0,0,0,0,0|3,0,1]=4 360 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,0,0,0,0,0|2,0,2]=4 361 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,0,0,0,0,0|2,0,2]=4 362 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,0,0,0,0,0|3,0,1]=4 363 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,0,0,0,0,0|3,0,1]=4 364 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,0,0,0,0,0|2,0,0]=2 365 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,0,0,0,0,0|2,0,0]=2 366 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,0,0,0,0,0|2,0,0]=2 367 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,0,0,0,0,0|2,0,0]=2 368 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,0,0,0,0,0|1,0,0]=1 369 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,0,0,0,0,0|1,0,0]=1 370 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,0,0,0,0,0|3,0,1]=4 371 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,0,0,0,0,0|2,0,1]=3 372 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,0,0,0,0,0|4,0,0]=4 373 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,0,0,0,0,0|2,0,0]=2 374 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,0,0,0,0,0|3,0,0]=3 375 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,0,0,0,0,0|2,0,0]=2 376 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,0,0,0,0,0|2,0,0]=2 377 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,0,0,0,0,0|2,0,0]=2 378 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,0,0,0,0,0|1,0,0]=1 379 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,0,0,0,0,0|1,0,0]=1 380 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,0,0,0,0,0|3,0,1]=4 381 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,0,0,0,0,0|2,0,1]=3 382 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,0,0,0,0,0|4,0,0]=4 383 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,0,0,0,0,0|4,0,0]=4 384 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,0,0,0,0,0|3,0,1]=4 385 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,0,0,0,0,0|3,0,1]=4 386 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,0,0,0,0,0|2,0,0]=2 387 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,0,0,0,0,0|2,0,0]=2 388 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,0,0,0,0,0|1,0,0]=1 389 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,0,0,0,0,0|1,0,0]=1 390 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,0,0,0,0,0|2,0,0]=2 391 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,0,0,0,0,0|2,0,0]=2 392 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,0,0,0,0,0|2,0,0]=2 393 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,0,0,0,0,0|3,0,0]=3 394 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,0,0,0,0,0|3,0,0]=3 395 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,0,0,0,0,0|2,0,1]=3 396 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,0,0,0,0,0|1,0,2]=3 397 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,0,0,0,0,0|2,0,0]=2 398 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,0,0,0,0,0|3,0,0]=3 399 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,0,0,0,0,0|1,0,0]=1 400 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,0,0,0,0,0|3,0,1]=4 401 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,0,0,0,0,0|3,0,0]=3 402 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,0,0,0,0,0|3,0,0]=3 403 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,0,0,0,0,0|3,0,0]=3 404 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,0,0,0,0,0|3,0,0]=3 405 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,0,0,0,0,0|3,0,0]=3 406 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,0,0,0,0,0|4,0,0]=4 407 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,0,0,0,0,0|4,0,0]=4 408 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,0,0,0,0,0|3,0,0]=3 409 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,0,0,0,0,0|3,0,0]=3 410 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,0,0,0,0,0|3,0,0]=3 411 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,0,0,0,0,0|3,0,0]=3 412 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,0,0,0,0,0|3,0,0]=3 413 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,0,0,0,0,0|3,0,0]=3 414 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,0,0,0,0,0|2,0,0]=2 415 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,0,0,0,0,0|3,0,0]=3 416 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,0,0,0,0,0|3,0,0]=3 417 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,0,0,0,0,0|2,0,0]=2 418 B10R0.74 CCCOCCSC(C)OC 62a_100009879195_100011215938 [0,0,0,0,0,0|3,0,1]=4 419 B10R0.74 CCCOCCSC(C)OC 62a_100011215938_100009879195 [0,0,0,0,0,0|3,0,1]=4 420 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,0,0,0,0,0|1,0,2]=3 421 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,0,0,0,0,0|1,0,2]=3 422 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,0,0,0,0,0|2,0,0]=2 423 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,0,0,0,0,0|2,0,0]=2 424 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,0,0,0,0,0|1,0,0]=1 425 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,0,0,0,0,0|1,0,0]=1 426 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,0,0,0,0,0|4,0,0]=4 427 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,0,0,0,0,0|3,0,0]=3 428 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,0,0,0,0,0|3,0,0]=3 429 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,0,0,0,0,0|3,0,0]=3 430 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,0,0,0,0,0|4,0,0]=4 431 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,0,0,0,0,0|4,0,0]=4 432 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,0,0,0,0,0|3,0,0]=3 433 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,0,0,0,0,0|3,0,0]=3 434 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,0,0,0,0,0|3,0,0]=3 435 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,0,0,0,0,0|3,0,0]=3 436 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,0,0,0,0,0|3,0,0]=3 437 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,0,0,0,0,0|3,0,0]=3 438 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,0,0,0,0,0|3,0,0]=3 439 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,0,0,0,0,0|3,0,0]=3 440 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,0,0,0,0,0|4,0,0]=4 441 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,0,0,0,0,0|4,0,0]=4 442 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,0,0,0,0,0|4,0,0]=4 443 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,0,0,0,0,0|4,0,0]=4 444 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,0,0,0,0,0|1,0,0]=1 445 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,0,0,0,0,0|2,0,0]=2 446 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,0,0,0,0,0|2,0,1]=3 447 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,0,0,0,0,0|1,0,0]=1 448 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,0,0,0,0,0|1,0,0]=1 449 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,0,0,0,0,0|1,0,0]=1 450 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,0,0,0,0,0|3,0,0]=3 451 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,0,0,0,0,0|3,0,0]=3 452 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,0,0,0,0,0|3,0,0]=3 453 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,0,0,0,0,0|3,0,0]=3 454 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,0,0,0,0,0|4,0,0]=4 455 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,0,0,0,0,0|4,0,0]=4 456 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,0,0,0,0,0|3,0,0]=3 457 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,0,0,0,0,0|3,0,0]=3 458 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,0,0,0,0,0|3,0,0]=3 459 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,0,0,0,0,0|3,0,0]=3 460 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,0,0,0,0,0|3,0,0]=3 461 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,0,0,0,0,0|3,0,0]=3 462 B10R0.74 CCOCCCSC(C)OC 62a_100009879195_100012232248 [0,0,0,0,0,0|3,0,1]=4 463 B10R0.74 CCOCCCSC(C)OC 62a_100012232248_100009879195 [0,0,0,0,0,0|3,0,1]=4 464 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,0,0,0,0,0|3,0,0]=3 465 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,0,0,0,0,0|3,0,0]=3 466 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,0,0,0,0,0|3,0,0]=3 467 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,0,0,0,0,0|2,0,0]=2 468 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,0,0,0,0,0|2,0,0]=2 469 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,0,0,0,0,0|3,0,1]=4 470 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,0,0,0,0,0|4,0,0]=4 471 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,0,0,0,0,0|4,0,0]=4 472 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,0,0,0,0,0|4,0,0]=4 473 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,0,0,0,0,0|4,0,0]=4 474 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,0,0,0,0,0|3,0,0]=3 475 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,0,0,0,0,0|3,0,0]=3 476 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,0,0,0,0,0|3,0,0]=3 477 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,0,0,0,0,0|3,0,0]=3 478 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,0,0,0,0,0|3,0,0]=3 479 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,0,0,0,0,0|2,0,0]=2 480 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,0,0,0,0,0|2,0,0]=2 481 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,0,0,0,0,0|2,0,0]=2 482 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,0,0,0,0,0|3,0,1]=4 483 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,0,0,0,0,0|3,0,0]=3 484 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,0,0,0,0,0|3,0,0]=3 485 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,0,0,0,0,0|3,0,0]=3 486 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,0,0,0,0,0|3,0,0]=3 487 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,0,0,0,0,0|2,0,0]=2 488 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,0,0,0,0,0|2,0,0]=2 489 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,0,0,0,0,0|3,0,0]=3 490 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,0,0,0,0,0|3,0,0]=3 491 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,0,0,0,0,0|2,0,0]=2 492 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,0,0,0,0,0|2,0,0]=2 493 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,0,0,0,0,0|3,0,0]=3 494 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,0,0,0,0,0|1,0,0]=1 495 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,0,0,0,0,0|1,0,0]=1 496 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,0,0,0,0,0|3,0,0]=3 497 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,0,0,0,0,0|3,0,0]=3 498 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,0,0,0,0,0|2,0,0]=2 499 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,0,0,0,0,0|3,0,1]=4 500 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,0,0,0,0,0|3,0,0]=3 501 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,0,0,0,0,0|3,0,0]=3 502 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,0,0,0,0,0|3,0,0]=3 503 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,0,0,0,0,0|3,0,0]=3 504 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,0,0,0,0,0|3,0,0]=3 505 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,0,0,0,0,0|2,0,0]=2 506 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,0,0,0,0,0|2,0,0]=2 507 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,0,0,0,0,0|2,0,0]=2 508 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,0,0,0,0,0|2,0,0]=2 509 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,0,0,0,0,0|3,0,1]=4 510 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,0,0,0,0,0|3,0,0]=3 511 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,0,0,0,0,0|3,0,0]=3 512 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,0,0,0,0,0|3,0,0]=3 513 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,0,0,0,0,0|3,0,0]=3 514 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,0,0,0,0,0|2,0,0]=2 515 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,0,0,0,0,0|2,0,0]=2 516 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,0,0,0,0,0|2,0,0]=2 517 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,0,0,0,0,0|2,0,0]=2 518 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 519 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 520 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 521 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,0,0,0,0,0|4,0,0]=4 522 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,0,0,0,0,0|4,0,0]=4 523 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,0,0,0,0,0|4,0,0]=4 524 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,0,0,0,0,0|3,0,1]=4 525 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,0,0,0,0,0|3,0,1]=4 526 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,0,0,0,0,0|3,0,1]=4 527 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,0,0,0,0,0|3,0,0]=3 528 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,0,0,0,0,0|3,0,0]=3 529 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,0,0,0,0,0|3,0,0]=3 530 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,0,0,0,0,0|3,0,0]=3 531 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,0,0,0,0,0|3,0,0]=3 532 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,0,0,0,0,0|3,0,0]=3 533 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,0,0,0,0,0|3,0,0]=3 534 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,0,0,0,0,0|3,0,0]=3 535 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,0,0,0,0,0|3,0,0]=3 536 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,0,0,0,0,0|3,0,0]=3 537 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,0,0,0,0,0|3,0,0]=3 538 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,0,0,0,0,0|3,0,0]=3 539 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,0,0,0,0,0|3,0,1]=4 540 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,0,0,0,0,0|3,0,1]=4 541 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,0,0,0,0,0|3,0,1]=4 542 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,0,0,0,0,0|3,0,1]=4 543 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,0,0,0,0,0|3,0,0]=3 544 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,0,0,0,0,0|3,0,0]=3 545 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,0,0,0,0,0|3,0,0]=3 546 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,0,0,0,0,0|3,0,0]=3 547 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,0,0,0,0,0|3,0,0]=3 548 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,0,0,0,0,0|3,0,0]=3 549 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,0,0,0,0,0|3,0,0]=3 550 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,0,0,0,0,0|3,0,0]=3 551 B10R0.74 CNC(=O)CCNCCC#N 2230a_100000738227_100011215226 [0,0,0,0,0,0|3,0,1]=4 552 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,0,0,0,0,0|3,0,0]=3 553 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,0,0,0,0,0|3,0,0]=3 554 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,0,0,0,0,0|3,0,0]=3 555 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,0,0,0,0,0|3,0,0]=3 556 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,0,0,0,0,0|3,0,0]=3 557 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,0,0,0,0,0|3,0,0]=3 558 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,0,0,0,0,0|3,0,0]=3 559 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,0,0,0,0,0|3,0,0]=3 560 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,0,0,0,0,0|3,0,0]=3 561 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,0,0,0,0,0|3,0,0]=3 562 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,0,0,0,0,0|3,0,0]=3 563 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,0,0,0,0,0|3,0,0]=3 564 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,0,0,0,0,0|3,0,0]=3 565 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,0,0,0,0,0|3,0,0]=3 566 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,0,0,0,0,0|3,0,0]=3 567 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,0,0,0,0,0|3,0,0]=3 568 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,0,0,0,0,0|3,0,0]=3 569 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,0,0,0,0,0|3,0,0]=3 570 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,0,0,0,0,0|3,0,0]=3 571 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 572 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 573 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,0,0,0,0,0|3,0,0]=3 574 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,0,0,0,0,0|3,0,0]=3 575 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 576 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,0,0,0,0,0|4,0,0]=4 577 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,0,0,0,0,0|3,0,0]=3 578 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,0,0,0,0,0|3,0,0]=3 579 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,0,0,0,0,0|3,0,0]=3 580 B10R0.74 CNC(=O)CCSCCC#N 62a_100000737683_100011215226 [0,0,0,0,0,0|3,0,1]=4 581 B10R0.74 CNC(=O)CCSCCC#N 62a_100011215226_100000737683 [0,0,0,0,0,0|3,0,1]=4 582 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,0,0,0,0,0|3,0,0]=3 583 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,0,0,0,0,0|3,0,0]=3 584 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,0,0,0,0,0|3,0,0]=3 585 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,0,0,0,0,0|3,0,0]=3 586 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,0,0,0,0,0|3,0,0]=3 587 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,0,0,0,0,0|3,0,0]=3 588 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,0,0,0,0,0|3,0,0]=3 589 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,0,0,0,0,0|3,0,0]=3 590 B10R0.74 CNC(=O)CNCCCC#N 2230a_100000693194_100000687738 [0,0,0,0,0,0|3,0,1]=4 591 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,0,0,0,0,0|3,0,1]=4 592 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,0,0,0,0,0|3,0,0]=3 593 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,0,0,0,0,0|3,0,0]=3 594 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 595 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 596 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,0,0,0,0,0|3,0,0]=3 597 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,0,0,0,0,0|3,0,0]=3 598 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,0,0,0,0,0|3,0,0]=3 599 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,0,0,0,0,0|3,0,0]=3 600 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 601 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 602 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,0,0,0,0,0|3,0,0]=3 603 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,0,0,0,0,0|3,0,0]=3 604 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,0,0,0,0,0|3,0,0]=3 605 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,0,0,0,0,0|3,0,0]=3 606 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 607 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,0,0,0,0,0|3,0,0]=3 608 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,0,0,0,0,0|3,0,0]=3 609 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,0,0,0,0,0|3,0,0]=3 610 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,0,0,0,0,0|3,0,0]=3 611 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,0,0,0,0,0|3,0,0]=3 612 B10R0.74 CNC(=O)CSCCCC#N 62a_100000183359_100000687738 [0,0,0,0,0,0|3,0,1]=4 613 B10R0.74 CNC(=O)CSCCCC#N 62a_100000687738_100000183359 [0,0,0,0,0,0|3,0,1]=4 614 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,0,0,0,0,0|3,0,1]=4 615 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,0,0,0,0,0|3,0,1]=4 616 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,0,0,0,0,0|3,0,0]=3 617 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,0,0,0,0,0|3,0,0]=3 618 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,0,0,0,0,0|3,0,0]=3 619 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 620 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,0,0,0,0,0|3,0,0]=3 621 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,0,0,0,0,0|3,0,0]=3 622 B10R0.74 CNC(=O)NCCCCC#N 2708a_100000751965_106832991635 [0,0,0,0,0,0|3,0,1]=4 623 B10R0.74 CNC(=O)NCCCCC#N 2708a_100102657272_100000751965 [0,0,0,0,0,0|3,0,1]=4 624 B10R0.74 CNC(=O)NCCCCC#N 273464a_100000751965_100102657272 [0,0,0,0,0,0|3,0,1]=4 625 B10R0.74 CNC(=O)NCCCCC#N 273464a_100102657272_100000751965 [0,0,0,0,0,0|3,0,1]=4 626 B10R0.74 CNC(=O)NCCCCC#N 512a_100000751965_100102657272 [0,0,0,0,0,0|3,0,1]=4 627 B10R0.74 CNC(=O)NCCCCC#N 512a_106832991638_100000751965 [0,0,0,0,0,0|3,0,1]=4 628 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,0,0,0,0,0|3,0,0]=3 629 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,0,0,0,0,0|3,0,0]=3 630 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,0,0,0,0,0|3,0,0]=3 631 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,0,0,0,0,0|3,0,0]=3 632 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,0,0,0,0,0|3,0,0]=3 633 B10R0.74 CNC(=O)NCCNCCF 34a_100015205895_100011217306 [0,0,0,0,0,0|4,0,0]=4 634 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,0,0,0,0,0|4,0,0]=4 635 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,0,0,0,0,0|4,0,0]=4 636 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,0,0,0,0,0|4,0,0]=4 637 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,0,0,0,0,0|4,0,0]=4 638 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,0,0,0,0,0|4,0,0]=4 639 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,0,0,0,0,0|4,0,0]=4 640 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,0,0,0,0,0|4,0,0]=4 641 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,0,0,0,0,0|4,0,0]=4 642 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,0,0,0,0,0|4,0,0]=4 643 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,0,0,0,0,0|4,0,0]=4 644 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,0,0,0,0,0|4,0,0]=4 645 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,0,0,0,0,0|4,0,0]=4 646 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,0,0,0,0,0|4,0,0]=4 647 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,0,0,0,0,0|4,0,0]=4 648 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,0,0,0,0,0|4,0,0]=4 649 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,0,0,0,0,0|4,0,0]=4 650 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,0,0,0,0,0|4,0,0]=4 651 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,0,0,0,0,0|4,0,0]=4 652 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,0,0,0,0,0|4,0,0]=4 653 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,0,0,0,0,0|4,0,0]=4 654 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,0,0,0,0,0|4,0,0]=4 655 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,0,0,0,0,0|4,0,0]=4 656 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,0,0,0,0,0|4,0,0]=4 657 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,0,0,0,0,0|4,0,0]=4 658 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,0,0,0,0,0|4,0,0]=4 659 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,0,0,0,0,0|1,0,0]=1 660 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,0,0,0,0,0|1,0,0]=1 661 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,0,0,0,0,0|1,0,0]=1 662 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,0,0,0,0,0|3,0,0]=3 663 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,0,0,0,0,0|2,0,0]=2 664 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [0,0,0,0,0,0|2,0,2]=4 665 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [0,0,0,0,0,0|2,0,2]=4 666 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [0,0,0,0,0,0|2,0,2]=4 667 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [0,0,0,0,0,0|2,0,2]=4 668 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [0,0,0,0,0,0|2,0,2]=4 669 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [0,0,0,0,0,0|2,0,2]=4 670 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [0,0,0,0,0,0|2,0,2]=4 671 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [0,0,0,0,0,0|2,0,2]=4 672 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [0,0,0,0,0,0|2,0,2]=4 673 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [0,0,0,0,0,0|2,0,2]=4 674 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [0,0,0,0,0,0|2,0,2]=4 675 B10R0.74 COC(=O)CC=NNCCO 4a_100000210001_200011552997 [0,0,0,0,0,0|3,0,1]=4 676 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,0,0,0,0,0|1,0,0]=1 677 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,0,0,0,0,0|1,0,0]=1 678 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,0,0,0,0,0|1,0,0]=1 679 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,0,0,0,0,0|1,0,0]=1 680 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,0,0,0,0,0|1,0,0]=1 681 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,0,0,0,0,0|1,0,0]=1 682 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,0,0,0,0,0|2,0,0]=2 683 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,0,0,0,0,0|2,0,0]=2 684 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,0,0,0,0,0|2,0,0]=2 685 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,0,0,0,0,0|2,0,0]=2 686 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,0,0,0,0,0|2,0,0]=2 687 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,0,0,0,0,0|2,0,0]=2 688 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,0,0,0,0,0|2,0,0]=2 689 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,0,0,0,0,0|2,0,0]=2 690 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,0,0,0,0,0|2,0,0]=2 691 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,0,0,0,0,0|2,0,1]=3 692 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,0,0,0,0,0|2,0,1]=3 693 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,0,0,0,0,0|2,0,1]=3 694 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,0,0,0,0,0|2,0,1]=3 695 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,0,0,0,0,0|2,0,0]=2 696 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,0,0,0,0,0|2,0,0]=2 697 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,0,0,0,0,0|2,0,0]=2 698 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,0,0,0,0,0|2,0,0]=2 699 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,0,0,0,0,0|2,0,0]=2 700 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,0,0,0,0,0|2,0,0]=2 701 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,0,0,0,0,0|2,0,0]=2 702 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,0,0,0,0,0|2,0,0]=2 703 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,0,0,0,0,0|2,0,0]=2 704 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,0,0,0,0,0|2,0,0]=2 705 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,0,0,0,0,0|2,0,0]=2 706 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,0,0,0,0,0|2,0,0]=2 707 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,0,0,0,0,0|2,0,0]=2 708 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,0,0,0,0,0|3,0,0]=3 709 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,0,0,0,0,0|2,0,0]=2 710 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,0,0,0,0,0|2,0,0]=2 711 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,0,0,0,0,0|2,0,1]=3 712 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,0,0,0,0,0|2,0,1]=3 713 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,0,0,0,0,0|2,0,0]=2 714 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,0,0,0,0,0|2,0,0]=2 715 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,0,0,0,0,0|2,0,0]=2 716 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,0,0,0,0,0|2,0,0]=2 717 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,0,0,0,0,0|2,0,0]=2 718 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,0,0,0,0,0|2,0,0]=2 719 B10R0.74 COC(=O)CCSCSC#N 62a_100000204255_100000211825 [0,0,0,0,0,0|3,0,1]=4 720 B10R0.74 COC(=O)CCSCSC#N 62a_100000211825_100000204255 [0,0,0,0,0,0|3,0,1]=4 721 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,0,0,0,0,0|2,0,0]=2 722 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,0,0,0,0,0|2,0,0]=2 723 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,0,0,0,0,0|2,0,0]=2 724 B10R0.74 COC(=O)COCC#CCCl 34a_200000047223_100000747449 [0,0,0,0,0,0|2,0,2]=4 725 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,0,0,0,0,0|2,0,0]=2 726 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,0,0,0,0,0|2,0,0]=2 727 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,0,0,0,0,0|2,0,0]=2 728 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,0,0,0,0,0|2,0,0]=2 729 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,0,0,0,0,0|2,0,0]=2 730 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,0,0,0,0,0|2,0,0]=2 731 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,0,0,0,0,0|2,0,0]=2 732 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,0,0,0,0,0|2,0,0]=2 733 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,0,0,0,0,0|2,0,0]=2 734 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,0,0,0,0,0|3,0,0]=3 735 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,0,0,0,0,0|3,0,0]=3 736 B10R0.74 COC(=O)CSCC#CCO 62a_100000747449_200000047223 [0,0,0,0,0,0|2,0,2]=4 737 B10R0.74 COC(=O)CSCC#CCO 62a_200000047223_100000747449 [0,0,0,0,0,0|2,0,2]=4 738 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,0,0,0,0,0|2,0,1]=3 739 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,0,0,0,0,0|2,0,1]=3 740 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,0,0,0,0,0|2,0,1]=3 741 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,0,0,0,0,0|2,0,1]=3 742 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,0,0,0,0,0|2,0,0]=2 743 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,0,0,0,0,0|2,0,0]=2 744 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,0,0,0,0,0|2,0,0]=2 745 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,0,0,0,0,0|2,0,0]=2 746 B10R0.74 COC(=O)CSCCSC#N 62a_100000034367_100000747449 [0,0,0,0,0,0|3,0,1]=4 747 B10R0.74 COC(=O)CSCCSC#N 62a_100000747449_100000034367 [0,0,0,0,0,0|3,0,1]=4 748 B10R0.74 COC(=O)NCCOCC=O 34a_100000757965_200009817547 [0,0,0,0,0,0|3,0,1]=4 749 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,0,0,0,0,0|3,0,0]=3 750 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,0,0,0,0,0|3,0,0]=3 751 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,0,0,0,0,0|3,0,0]=3 752 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,0,0,0,0,0|3,0,1]=4 753 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,0,0,0,0,0|3,0,0]=3 754 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,0,0,0,0,0|3,0,0]=3 755 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,0,0,0,0,0|3,0,0]=3 756 B10R0.74 COC(=O)OCSCCC#N 62a_100011215226_100000139417 [0,0,0,0,0,0|3,0,1]=4 757 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,0,0,0,0,0|3,0,0]=3 758 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,0,0,0,0,0|3,0,0]=3 759 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,0,0,0,0,0|3,0,0]=3 760 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,0,0,0,0,0|3,0,1]=4 761 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,0,0,0,0,0|3,0,1]=4 762 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,0,0,0,0,0|3,0,1]=4 763 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,0,0,0,0,0|3,0,1]=4 764 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,0,0,0,0,0|3,0,1]=4 765 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [0,0,0,0,0,0|3,0,1]=4 766 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [0,0,0,0,0,0|3,0,1]=4 767 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,0,0,0,0,0|3,0,1]=4 768 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,0,0,0,0,0|3,0,1]=4 769 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,0,0,0,0,0|3,0,0]=3 770 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,0,0,0,0,0|1,0,0]=1 771 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,0,0,0,0,0|1,0,0]=1 772 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,0,0,0,0,0|1,0,0]=1 773 B10R0.74 COCCCCSC(C)OC 62a_100000730899_100009879195 [0,0,0,0,0,0|3,0,1]=4 774 B10R0.74 COCCCCSC(C)OC 62a_100009879195_100000730899 [0,0,0,0,0,0|3,0,1]=4 775 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,0,0,0,0,0|2,0,0]=2 776 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,0,0,0,0,0|3,0,1]=4 777 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,0,0,0,0,0|2,0,0]=2 778 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,0,0,0,0,0|3,0,1]=4 779 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,0,0,0,0,0|2,0,0]=2 780 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,0,0,0,0,0|2,0,0]=2 781 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,0,0,0,0,0|2,0,0]=2 782 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,0,0,0,0,0|4,0,0]=4 783 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,0,0,0,0,0|4,0,0]=4 784 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,0,0,0,0,0|2,0,0]=2 785 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,0,0,0,0,0|3,0,1]=4 786 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,0,0,0,0,0|2,0,0]=2 787 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,0,0,0,0,0|2,0,0]=2 788 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,0,0,0,0,0|3,0,0]=3 789 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [0,0,0,0,0,0|2,0,2]=4 790 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [0,0,0,0,0,0|2,0,2]=4 791 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,0,0,0,0,0|2,0,0]=2 792 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,0,0,0,0,0|2,0,0]=2 793 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,0,0,0,0,0|3,0,1]=4 794 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,0,0,0,0,0|3,0,1]=4 795 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,0,0,0,0,0|4,0,0]=4 796 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,0,0,0,0,0|3,0,1]=4 797 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,0,0,0,0,0|4,0,0]=4 798 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,0,0,0,0,0|4,0,0]=4 799 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,0,0,0,0,0|3,0,0]=3 800 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,0,0,0,0,0|3,0,0]=3 801 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,0,0,0,0,0|3,0,0]=3 802 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,0,0,0,0,0|4,0,0]=4 803 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|0,0,2]=3 804 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|0,0,2]=3 805 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|0,0,2]=3 806 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 807 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 808 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 809 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [1,0,0,0,0,0|1,0,2]=4 810 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,0,0,0,0,0|1,0,2]=4 811 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [1,0,0,0,0,0|1,0,2]=4 812 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [1,0,0,0,0,0|1,0,2]=4 813 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [1,0,0,0,0,0|1,0,2]=4 814 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [1,0,0,0,0,0|1,0,2]=4 815 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [1,0,0,0,0,0|1,0,2]=4 816 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [1,0,0,0,0,0|1,0,2]=4 817 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [1,0,0,0,0,0|1,0,2]=4 818 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [1,0,0,0,0,0|1,0,2]=4 819 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [1,0,0,0,0,0|1,0,2]=4 820 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [1,0,0,0,0,0|1,0,2]=4 821 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [1,0,0,0,0,0|1,0,2]=4 822 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [1,0,0,0,0,0|1,0,2]=4 823 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [1,0,0,0,0,0|1,0,2]=4 824 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [1,0,0,0,0,0|1,0,2]=4 825 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,0,0,0,0,0|2,0,1]=4 826 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|2,0,0]=3 827 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|2,0,0]=3 828 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [1,0,0,0,0,0|3,0,0]=4 829 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [1,0,0,0,0,0|3,0,0]=4 830 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [1,0,0,0,0,0|3,0,0]=4 831 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [1,0,0,0,0,0|3,0,0]=4 832 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [1,0,0,0,0,0|3,0,0]=4 833 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|2,0,0]=3 834 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|2,0,0]=3 835 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|2,0,0]=3 836 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [1,0,0,0,0,0|3,0,0]=4 837 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [1,0,0,0,0,0|3,0,0]=4 838 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [1,0,0,0,0,0|3,0,0]=4 839 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [1,0,0,0,0,0|3,0,0]=4 840 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,0,0,0,0,0|3,0,0]=4 841 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [1,0,0,0,0,0|3,0,0]=4 842 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [1,0,0,0,0,0|3,0,0]=4 843 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [1,0,0,0,0,0|3,0,0]=4 844 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [1,0,0,0,0,0|3,0,0]=4 845 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [1,0,0,0,0,0|3,0,0]=4 846 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|2,0,0]=3 847 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|2,0,0]=3 848 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [1,0,0,0,0,0|3,0,0]=4 849 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [1,0,0,0,0,0|3,0,0]=4 850 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,0,0,0,0,0|3,0,0]=4 851 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,0,0,0,0,0|3,0,0]=4 852 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [1,0,0,0,0,0|3,0,0]=4 853 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [1,0,0,0,0,0|3,0,0]=4 854 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [1,0,0,0,0,0|3,0,0]=4 855 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [1,0,0,0,0,0|3,0,0]=4 856 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [1,0,0,0,0,0|3,0,0]=4 857 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [1,0,0,0,0,0|3,0,0]=4 858 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|2,0,0]=3 859 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 860 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 861 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [1,0,0,0,0,0|3,0,0]=4 862 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [1,0,0,0,0,0|3,0,0]=4 863 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [1,0,0,0,0,0|3,0,0]=4 864 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [1,0,0,0,0,0|3,0,0]=4 865 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [1,0,0,0,0,0|3,0,0]=4 866 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [1,0,0,0,0,0|3,0,0]=4 867 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|2,0,0]=3 868 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|2,0,0]=3 869 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|2,0,0]=3 870 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [1,0,0,0,0,0|3,0,0]=4 871 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [1,0,0,0,0,0|3,0,0]=4 872 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [1,0,0,0,0,0|3,0,0]=4 873 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [1,0,0,0,0,0|3,0,0]=4 874 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [1,0,0,0,0,0|3,0,0]=4 875 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [1,0,0,0,0,0|3,0,0]=4 876 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 877 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,0,0,0,0,0|3,0,0]=4 878 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [1,0,0,0,0,0|3,0,0]=4 879 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [1,0,0,0,0,0|3,0,0]=4 880 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [1,0,0,0,0,0|3,0,0]=4 881 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [1,0,0,0,0,0|3,0,0]=4 882 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [1,0,0,0,0,0|3,0,0]=4 883 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [1,0,0,0,0,0|3,0,0]=4 884 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [1,0,0,0,0,0|3,0,0]=4 885 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [1,0,0,0,0,0|3,0,0]=4 886 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [1,0,0,0,0,0|3,0,0]=4 887 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [1,0,0,0,0,0|3,0,0]=4 888 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [1,0,0,0,0,0|3,0,0]=4 889 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|2,0,0]=3 890 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|2,0,0]=3 891 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [1,0,0,0,0,0|3,0,0]=4 892 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [1,0,0,0,0,0|3,0,0]=4 893 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,0,0,0,0,0|3,0,0]=4 894 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,0,0,0,0,0|3,0,0]=4 895 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [1,0,0,0,0,0|3,0,0]=4 896 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [1,0,0,0,0,0|3,0,0]=4 897 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [1,0,0,0,0,0|3,0,0]=4 898 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [1,0,0,0,0,0|3,0,0]=4 899 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [1,0,0,0,0,0|3,0,0]=4 900 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [1,0,0,0,0,0|3,0,0]=4 901 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,0,0,0,0,0|2,0,1]=4 902 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,0,0,0,0,0|2,0,1]=4 903 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,0,0,0,0,0|2,0,1]=4 904 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,0,0,0,0,0|2,0,1]=4 905 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,0,0,0,0,0|2,0,1]=4 906 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,0,0,0,0,0|2,0,1]=4 907 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|0,0,2]=3 908 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|0,0,2]=3 909 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|0,0,2]=3 910 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 911 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 912 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 913 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,0,0,0,0|1,0,2]=4 914 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,0,0,0,0,0|1,0,2]=4 915 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [1,0,0,0,0,0|1,0,2]=4 916 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [1,0,0,0,0,0|1,0,2]=4 917 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [1,0,0,0,0,0|1,0,2]=4 918 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,0,0,0,0,0|1,0,2]=4 919 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,0,0,0,0,0|1,0,2]=4 920 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,0,0,0,0,0|1,0,2]=4 921 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,0,0,0,0,0|1,0,2]=4 922 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,0,0,0,0,0|1,0,2]=4 923 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [1,0,0,0,0,0|1,0,2]=4 924 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [1,0,0,0,0,0|1,0,2]=4 925 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [1,0,0,0,0,0|1,0,2]=4 926 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [1,0,0,0,0,0|1,0,2]=4 927 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [1,0,0,0,0,0|1,0,2]=4 928 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [1,0,0,0,0,0|1,0,2]=4 929 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|1,0,1]=3 930 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|1,0,0]=2 931 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,0]=2 932 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,0]=2 933 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [1,0,0,0,0,0|3,0,0]=4 934 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,0,0,0,0,0|2,0,0]=3 935 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,0,0,0,0,0|2,0,0]=3 936 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,0,0,0,0,0|2,0,0]=3 937 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|2,0,0]=3 938 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [1,0,0,0,0,0|2,0,1]=4 939 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,0,0,0,0,0|2,0,1]=4 940 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,0,0,0,0,0|2,0,1]=4 941 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,0,0,0,0|2,0,0]=3 942 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,0,0,0,0|2,0,0]=3 943 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,0,0,0,0|2,0,0]=3 944 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|2,0,0]=3 945 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|2,0,0]=3 946 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|2,0,0]=3 947 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [1,0,0,0,0,0|2,0,1]=4 948 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [1,0,0,0,0,0|2,0,1]=4 949 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,0,0,0,0,0|2,0,1]=4 950 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,0,0,0,0,0|2,0,1]=4 951 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,0,0,0,0,0|2,0,0]=3 952 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,0,0,0,0,0|2,0,0]=3 953 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|2,0,0]=3 954 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|2,0,0]=3 955 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [1,0,0,0,0,0|2,0,1]=4 956 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,0,0,0,0,0|2,0,0]=3 957 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,0,0,0,0,0|2,0,0]=3 958 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|2,0,0]=3 959 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|2,0,0]=3 960 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [1,0,0,0,0,0|2,0,1]=4 961 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [1,0,0,0,0,0|2,0,1]=4 962 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|2,0,0]=3 963 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|2,0,0]=3 964 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|2,0,0]=3 965 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|2,0,0]=3 966 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,0,0,0,0,0|2,0,0]=3 967 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|2,0,0]=3 968 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 969 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 970 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 971 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [1,0,0,0,0,0|2,0,1]=4 972 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,0]=3 973 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 974 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 975 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [1,0,0,0,0,0|3,0,0]=4 976 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [1,0,0,0,0,0|3,0,0]=4 977 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [1,0,0,0,0,0|3,0,0]=4 978 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,0,0,0,0,0|3,0,0]=4 979 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,0,0,0,0,0|3,0,0]=4 980 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [1,0,0,0,0,0|3,0,0]=4 981 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,0,0,0,0,0|3,0,0]=4 982 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,0,0,0,0,0|3,0,0]=4 983 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [1,0,0,0,0,0|3,0,0]=4 984 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [1,0,0,0,0,0|3,0,0]=4 985 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,0,0,0,0|3,0,0]=4 986 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,0,0,0,0|3,0,0]=4 987 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,0,0,0,0|3,0,0]=4 988 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,0,0,0,0|3,0,0]=4 989 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|2,0,0]=3 990 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|2,0,0]=3 991 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|2,0,0]=3 992 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|2,0,0]=3 993 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [1,0,0,0,0,0|3,0,0]=4 994 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [1,0,0,0,0,0|3,0,0]=4 995 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [1,0,0,0,0,0|3,0,0]=4 996 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,0,0,0,0,0|3,0,0]=4 997 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,0,0,0,0,0|3,0,0]=4 998 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,0,0,0,0,0|3,0,0]=4 999 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [1,0,0,0,0,0|3,0,0]=4 1000 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [1,0,0,0,0,0|3,0,0]=4 1001 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [1,0,0,0,0,0|3,0,0]=4 1002 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [1,0,0,0,0,0|3,0,0]=4 1003 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,0,0,0,0|3,0,0]=4 1004 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,0,0,0,0|3,0,0]=4 1005 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [1,0,0,0,0,0|3,0,0]=4 1006 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [1,0,0,0,0,0|3,0,0]=4 1007 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [1,0,0,0,0,0|3,0,0]=4 1008 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [1,0,0,0,0,0|3,0,0]=4 1009 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [1,0,0,0,0,0|3,0,0]=4 1010 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [1,0,0,0,0,0|3,0,0]=4 1011 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [1,0,0,0,0,0|3,0,0]=4 1012 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,0,0,0,0|3,0,0]=4 1013 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,0,0,0,0|3,0,0]=4 1014 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|2,0,0]=3 1015 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|2,0,0]=3 1016 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [1,0,0,0,0,0|3,0,0]=4 1017 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [1,0,0,0,0,0|3,0,0]=4 1018 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 1019 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 1020 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 1021 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 1022 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|2,0,1]=4 1023 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|2,0,1]=4 1024 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,0,0,0,0,0|1,0,2]=4 1025 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,0,0,0,0,0|1,0,2]=4 1026 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [1,0,0,0,0,0|1,0,2]=4 1027 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [1,0,0,0,0,0|1,0,2]=4 1028 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [1,0,0,0,0,0|1,0,2]=4 1029 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [1,0,0,0,0,0|1,0,2]=4 1030 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [1,0,0,0,0,0|1,0,2]=4 1031 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [1,0,0,0,0,0|1,0,2]=4 1032 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|0,0,2]=3 1033 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|0,0,2]=3 1034 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [1,0,0,0,0,0|2,0,1]=4 1035 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,0,0,0,0|0,0,2]=3 1036 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,0,0,0,0|0,0,2]=3 1037 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|0,0,2]=3 1038 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|0,0,2]=3 1039 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|0,0,0]=1 1040 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|0,0,0]=1 1041 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|0,0,0]=1 1042 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1043 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1044 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1045 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1046 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1047 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1048 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1049 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1050 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1051 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|1,0,0]=2 1052 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 1053 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 1054 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 1055 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 1056 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,1]=4 1057 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 1058 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,1]=4 1059 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,1]=4 1060 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|2,0,0]=3 1061 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|2,0,0]=3 1062 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|1,0,0]=2 1063 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|2,0,1]=4 1064 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|2,0,1]=4 1065 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|2,0,1]=4 1066 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|2,0,1]=4 1067 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|1,0,2]=4 1068 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|1,0,2]=4 1069 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|1,0,2]=4 1070 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|1,0,2]=4 1071 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,0,0,0,0|2,0,0]=3 1072 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|1,0,0]=2 1073 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|2,0,0]=3 1074 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|2,0,0]=3 1075 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|1,0,1]=3 1076 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,0,0,0,0,0|2,0,1]=4 1077 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|2,0,1]=4 1078 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|2,0,1]=4 1079 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|2,0,1]=4 1080 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,0,0,0,0,0|2,0,1]=4 1081 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|1,0,2]=4 1082 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|1,0,2]=4 1083 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,0,0,0,0,0|2,0,1]=4 1084 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|2,0,1]=4 1085 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|1,0,2]=4 1086 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|1,0,2]=4 1087 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,0,0,0,0,0|2,0,1]=4 1088 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|2,0,0]=3 1089 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|2,0,0]=3 1090 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|1,0,1]=3 1091 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|1,0,1]=3 1092 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|2,0,1]=4 1093 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|2,0,1]=4 1094 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|1,0,2]=4 1095 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|1,0,2]=4 1096 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|1,0,2]=4 1097 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|1,0,2]=4 1098 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,0,0,0,0,0|2,0,1]=4 1099 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,0,0,0,0|2,0,1]=4 1100 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,0,0,0,0|2,0,1]=4 1101 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,0,0,0,0|2,0,1]=4 1102 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|1,0,0]=2 1103 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|2,0,0]=3 1104 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|2,0,0]=3 1105 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|2,0,1]=4 1106 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|2,0,1]=4 1107 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|2,0,1]=4 1108 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|1,0,2]=4 1109 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|1,0,2]=4 1110 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|1,0,2]=4 1111 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,0,0,0,0,0|3,0,0]=4 1112 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,0,0,0,0|2,0,0]=3 1113 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 1114 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|2,0,1]=4 1115 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 1116 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|1,0,0]=2 1117 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|1,0,0]=2 1118 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|1,0,0]=2 1119 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|1,0,0]=2 1120 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|2,0,0]=3 1121 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|2,0,0]=3 1122 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|2,0,0]=3 1123 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|2,0,0]=3 1124 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|2,0,1]=4 1125 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|2,0,1]=4 1126 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|2,0,1]=4 1127 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|2,0,1]=4 1128 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|2,0,1]=4 1129 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|1,0,2]=4 1130 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|1,0,2]=4 1131 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1132 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1133 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,0,0,0,0,0|3,0,0]=4 1134 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|2,0,1]=4 1135 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|2,0,0]=3 1136 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,0,0,0,0|2,0,1]=4 1137 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,0,0,0,0|2,0,1]=4 1138 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|1,0,0]=2 1139 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|1,0,0]=2 1140 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|2,0,0]=3 1141 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|2,0,0]=3 1142 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|2,0,1]=4 1143 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|2,0,1]=4 1144 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|1,0,2]=4 1145 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|1,0,2]=4 1146 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,0,0,0,0,0|3,0,0]=4 1147 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|2,0,0]=3 1148 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|2,0,0]=3 1149 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|2,0,0]=3 1150 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 1151 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 1152 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|2,0,0]=3 1153 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|2,0,0]=3 1154 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,0,0,0,0,0|3,0,0]=4 1155 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|2,0,1]=4 1156 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|1,0,0]=2 1157 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|1,0,0]=2 1158 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|1,0,0]=2 1159 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|2,0,0]=3 1160 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|2,0,1]=4 1161 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 1162 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 1163 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|1,0,2]=4 1164 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,0,0,0,0,0|2,0,1]=4 1165 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 1166 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 1167 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|2,0,0]=3 1168 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|2,0,0]=3 1169 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,0,0,0,0|3,0,0]=4 1170 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|2,0,0]=3 1171 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|3,0,0]=4 1172 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|3,0,0]=4 1173 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|2,0,1]=4 1174 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|2,0,1]=4 1175 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|1,0,0]=2 1176 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|1,0,0]=2 1177 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|2,0,0]=3 1178 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|2,0,0]=3 1179 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|2,0,1]=4 1180 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|2,0,1]=4 1181 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|1,0,2]=4 1182 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|1,0,2]=4 1183 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,0,0,0,0,0|3,0,0]=4 1184 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 1185 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 1186 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|2,0,0]=3 1187 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|2,0,0]=3 1188 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|2,0,0]=3 1189 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,0,0,0,0,0|3,0,0]=4 1190 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,0,0,0,0,0|3,0,0]=4 1191 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|2,0,0]=3 1192 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|2,0,0]=3 1193 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|3,0,0]=4 1194 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|3,0,0]=4 1195 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,0,0,0,0,0|2,0,1]=4 1196 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|2,0,0]=3 1197 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|2,0,1]=4 1198 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|2,0,0]=3 1199 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [1,0,0,0,0,0|2,1,0]=4 1200 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|2,0,0]=3 1201 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,0,0,0,0,0|3,0,0]=4 1202 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,0,0,0,0|2,0,0]=3 1203 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,0,0,0,0,0|2,0,1]=4 1204 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|1,0,0]=2 1205 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|2,0,0]=3 1206 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|2,0,0]=3 1207 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 1208 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|2,0,1]=4 1209 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 1210 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,0,0,0,0,0|2,0,1]=4 1211 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,0,0,0,0,0|2,0,1]=4 1212 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1213 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1214 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1215 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|2,0,0]=3 1216 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|2,0,0]=3 1217 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|2,0,0]=3 1218 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [1,0,0,0,0,0|2,1,0]=4 1219 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|2,0,0]=3 1220 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,0,0,0,0,0|3,0,0]=4 1221 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,0,0,0,0,0|3,0,0]=4 1222 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,0,0,0,0,0|3,0,0]=4 1223 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,0,0,0,0|2,0,0]=3 1224 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,0,0,0,0,0|2,0,1]=4 1225 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,0,0,0,0,0|3,0,0]=4 1226 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,0,0,0,0,0|2,0,0]=3 1227 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,0,0,0,0,0|3,0,0]=4 1228 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,0,0,0,0,0|3,0,0]=4 1229 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,0,0,0,0,0|3,0,0]=4 1230 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,0,0,0,0,0|2,0,1]=4 1231 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,0,0,0,0,0|3,0,0]=4 1232 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,0,0,0,0,0|3,0,0]=4 1233 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,0,0,0,0,0|2,0,1]=4 1234 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,0,0,0,0,0|2,0,1]=4 1235 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [1,0,0,0,0,0|3,0,0]=4 1236 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,0,0,0,0,0|2,0,0]=3 1237 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,0,0,0,0,0|2,0,0]=3 1238 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,0,0,0,0,0|3,0,0]=4 1239 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,0,0,0,0,0|3,0,0]=4 1240 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [1,0,0,0,0,0|3,0,0]=4 1241 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [1,0,0,0,0,0|3,0,0]=4 1242 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,0,0,0,0,0|2,0,1]=4 1243 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,0,0,0,0,0|2,0,1]=4 1244 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|1,0,0]=2 1245 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|1,0,0]=2 1246 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,1]=4 1247 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,1]=4 1248 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,0,0,0,0,0|3,0,0]=4 1249 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|2,0,0]=3 1250 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|2,0,0]=3 1251 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [1,0,0,0,0,0|2,1,0]=4 1252 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [1,0,0,0,0,0|2,1,0]=4 1253 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|2,0,0]=3 1254 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|2,0,0]=3 1255 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,0,0,0,0,0|3,0,0]=4 1256 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,0,0,0,0,0|3,0,0]=4 1257 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,0,0,0,0|2,0,0]=3 1258 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,0,0,0,0,0|2,0,0]=3 1259 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,0,0,0,0,0|3,0,0]=4 1260 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,0,0,0,0,0|3,0,0]=4 1261 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,0,0,0,0,0|3,0,0]=4 1262 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,0,0,0,0,0|3,0,0]=4 1263 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,0,0,0,0,0|2,0,1]=4 1264 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,0,0,0,0,0|3,0,0]=4 1265 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,0,0,0,0,0|3,0,0]=4 1266 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,0,0,0,0,0|2,0,1]=4 1267 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,0,0,0,0,0|2,0,1]=4 1268 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 1269 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 1270 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 1271 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 1272 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,0,0,0,0,0|2,0,1]=4 1273 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,0,0,0,0,0|2,0,1]=4 1274 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,0,0,0,0,0|2,0,1]=4 1275 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 1276 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|2,0,0]=3 1277 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 1278 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 1279 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 1280 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 1281 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,1]=4 1282 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 1283 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 1284 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 1285 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|2,0,0]=3 1286 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|2,0,0]=3 1287 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 1288 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|2,0,0]=3 1289 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 1290 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,0,0,0,0,0|3,0,0]=4 1291 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,0,0,0,0,0|2,0,1]=4 1292 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,0,0,0,0,0|3,0,0]=4 1293 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,0,0,0,0,0|2,0,1]=4 1294 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|1,0,0]=2 1295 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 1296 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|2,0,0]=3 1297 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 1298 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|1,0,0]=2 1299 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|1,0,1]=3 1300 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 1301 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|2,0,1]=4 1302 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 1303 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|2,0,0]=3 1304 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|2,0,0]=3 1305 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|2,0,0]=3 1306 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|2,0,0]=3 1307 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,0,0,0,0,0|3,0,0]=4 1308 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,0,0,0,0,0|3,0,0]=4 1309 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|2,0,0]=3 1310 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,0,0,0,0,0|2,0,1]=4 1311 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [1,0,0,0,0,0|3,0,0]=4 1312 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|2,0,0]=3 1313 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,0,0,0,0,0|3,0,0]=4 1314 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,0,0,0,0,0|2,0,1]=4 1315 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,0,0,0,0,0|3,0,0]=4 1316 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,0,0,0,0,0|3,0,0]=4 1317 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,0,0,0,0,0|2,0,1]=4 1318 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,0,0,0,0,0|2,0,1]=4 1319 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,0,0,0,0,0|3,0,0]=4 1320 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,0,0,0,0,0|2,0,0]=3 1322 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,0,0,0,0,0|2,0,0]=3 1323 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,0,0,0,0,0|2,0,0]=3 1324 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,0,0,0,0,0|2,0,0]=3 1325 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,0,0,0,0,0|3,0,0]=4 1328 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,0,0,0,0,0|2,0,0]=3 1329 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [1,0,0,0,0,0|3,0,0]=4 1330 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|2,0,0]=3 1331 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|2,0,0]=3 1332 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,0,0,0,0,0|3,0,0]=4 1333 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,0,0,0,0,0|3,0,0]=4 1334 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [1,0,0,0,0,0|3,0,0]=4 1335 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [1,0,0,0,0,0|3,0,0]=4 1336 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [1,0,0,0,0,0|3,0,0]=4 1337 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [1,0,0,0,0,0|3,0,0]=4 1338 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [1,0,0,0,0,0|3,0,0]=4 1339 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|2,0,0]=3 1340 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|2,0,0]=3 1341 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,0,0,0,0,0|3,0,0]=4 1342 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,0,0,0,0,0|3,0,0]=4 1343 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [1,0,0,0,0,0|3,0,0]=4 1344 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [1,0,0,0,0,0|3,0,0]=4 1345 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [1,0,0,0,0,0|3,0,0]=4 1346 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [1,0,0,0,0,0|3,0,0]=4 1347 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [1,0,0,0,0,0|3,0,0]=4 1348 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [1,0,0,0,0,0|3,0,0]=4 1349 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,0,0,0,0,0|2,0,1]=4 1350 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,0,0,0,0,0|2,0,1]=4 1351 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|2,0,0]=3 1352 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|2,0,0]=3 1353 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|2,0,1]=4 1354 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|2,0,1]=4 1355 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|2,0,0]=3 1356 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|2,0,0]=3 1357 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|2,0,0]=3 1358 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|2,0,0]=3 1359 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,0,0,0,0,0|3,0,0]=4 1360 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,0,0,0,0,0|2,0,1]=4 1363 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [1,0,0,0,0,0|3,0,0]=4 1365 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,0,0,0,0,0|2,0,0]=3 1366 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,0,0,0,0,0|2,0,0]=3 1367 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,0,0,0,0,0|2,0,0]=3 1368 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,0,0,0,0,0|3,0,0]=4 1369 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1370 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,0,0,0,0,0|3,0,0]=4 1371 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1372 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [1,0,0,0,0,0|3,0,0]=4 1373 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|2,0,0]=3 1374 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|2,0,0]=3 1375 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,0,0,0,0,0|3,0,0]=4 1376 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,0,0,0,0,0|3,0,0]=4 1377 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [1,0,0,0,0,0|3,0,0]=4 1378 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [1,0,0,0,0,0|3,0,0]=4 1379 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,0,0,0,0,0|3,0,0]=4 1380 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [1,0,0,0,0,0|3,0,0]=4 1381 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [1,0,0,0,0,0|3,0,0]=4 1382 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|2,0,0]=3 1383 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [1,0,0,0,0,0|3,0,0]=4 1384 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [1,0,0,0,0,0|3,0,0]=4 1385 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [1,0,0,0,0,0|3,0,0]=4 1386 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|2,0,0]=3 1387 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|2,0,0]=3 1388 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,0,0,0,0,0|3,0,0]=4 1389 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,0,0,0,0,0|3,0,0]=4 1390 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [1,0,0,0,0,0|3,0,0]=4 1391 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [1,0,0,0,0,0|3,0,0]=4 1392 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [1,0,0,0,0,0|3,0,0]=4 1393 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [1,0,0,0,0,0|3,0,0]=4 1394 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,0,0,0,0,0|2,0,1]=4 1395 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,0,0,0,0,0|3,0,0]=4 1396 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,0,0,0,0,0|3,0,0]=4 1397 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,0,0,0,0,0|3,0,0]=4 1398 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,0,0,0,0,0|3,0,0]=4 1399 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,0,0,0,0,0|3,0,0]=4 1400 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,0,0,0,0,0|3,0,0]=4 1401 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,0,0,0,0,0|3,0,0]=4 1402 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 1403 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,0,0,0,0,0|3,0,0]=4 1404 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,0,0,0,0,0|3,0,0]=4 1405 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 1406 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,0,0,0,0,0|3,0,0]=4 1407 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,0,0,0,0,0|3,0,0]=4 1408 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,0,0,0,0,0|3,0,0]=4 1409 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,0,0,0,0,0|3,0,0]=4 1410 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,0,0,0,0,0|3,0,0]=4 1411 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1412 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,0,0,0,0,0|3,0,0]=4 1413 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1414 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,0,0,0,0,0|3,0,0]=4 1415 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,0,0,0,0,0|3,0,0]=4 1416 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,0,0,0,0,0|3,0,0]=4 1417 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,0,0,0,0,0|3,0,0]=4 1418 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,0,0,0,0,0|3,0,0]=4 1419 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,0,0,0,0,0|3,0,0]=4 1420 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,0,0,0,0,0|3,0,0]=4 1421 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,0,0,0,0,0|3,0,0]=4 1422 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,0,0,0,0,0|3,0,0]=4 1423 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,0,0,0,0,0|3,0,0]=4 1424 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,0,0,0,0,0|3,0,0]=4 1425 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,0,0,0,0,0|3,0,0]=4 1426 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,0,0,0,0,0|3,0,0]=4 1427 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,0,0,0,0,0|3,0,0]=4 1428 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,0,0,0,0,0|3,0,0]=4 1429 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,0,0,0,0,0|3,0,0]=4 1430 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,0,0,0,0,0|3,0,0]=4 1431 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,0,0,0,0,0|3,0,0]=4 1432 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,0,0,0,0,0|3,0,0]=4 1433 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,0,0,0,0,0|3,0,0]=4 1434 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,0,0,0,0,0|3,0,0]=4 1435 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,0,0,0,0,0|2,0,1]=4 1436 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,0,0,0,0,0|3,0,0]=4 1437 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,0,0,0,0,0|3,0,0]=4 1438 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|2,0,0]=3 1439 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|2,0,0]=3 1440 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [1,0,0,0,0,0|3,0,0]=4 1441 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [1,0,0,0,0,0|3,0,0]=4 1442 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,0,0,0,0,0|3,0,0]=4 1443 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,0,0,0,0,0|2,0,1]=4 1444 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,0,0,0,0,0|2,0,1]=4 1445 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,0,0,0,0,0|2,0,1]=4 1446 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,0,0,0,0,0|2,0,1]=4 1447 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,0,0,0,0,0|2,0,1]=4 1448 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,0,0,0,0,0|2,0,1]=4 1449 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,0,0,0,0,0|2,0,1]=4 1450 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,0,0,0,0,0|2,0,1]=4 1451 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,0,0,0,0,0|2,0,1]=4 1452 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,0,0,0,0,0|2,0,1]=4 1453 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,0]=2 1454 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [1,0,0,0,0,0|3,0,0]=4 1455 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 1456 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 1457 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|1,0,1]=3 1458 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,0,0,0,0,0|2,0,1]=4 1459 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,0,0,0,0,0|2,0,1]=4 1460 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|2,0,0]=3 1461 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|2,0,0]=3 1462 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,0,0,0,0,0|0,0,3]=4 1463 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,0,0,0,0,0|0,0,3]=4 1464 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,0,0,0,0,0|0,0,3]=4 1465 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,0,0,0,0,0|0,0,3]=4 1466 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,0,0,0,0,0|0,0,3]=4 1467 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|2,0,0]=3 1468 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [1,0,0,0,0,0|3,0,0]=4 1469 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [1,0,0,0,0,0|3,0,0]=4 1470 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [1,0,0,0,0,0|3,0,0]=4 1471 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [1,0,0,0,0,0|3,0,0]=4 1472 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,0,0,0,0,0|3,0,0]=4 1473 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [1,0,0,0,0,0|3,0,0]=4 1474 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [1,0,0,0,0,0|3,0,0]=4 1475 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [1,0,0,0,0,0|3,0,0]=4 1476 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|2,0,0]=3 1477 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|2,0,0]=3 1478 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|2,0,0]=3 1479 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [1,0,0,0,0,0|3,0,0]=4 1480 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [1,0,0,0,0,0|3,0,0]=4 1481 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [1,0,0,0,0,0|3,0,0]=4 1482 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [1,0,0,0,0,0|3,0,0]=4 1483 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [1,0,0,0,0,0|3,0,0]=4 1484 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [1,0,0,0,0,0|3,0,0]=4 1485 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [1,0,0,0,0,0|3,0,0]=4 1486 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,0,0,0,0,0|3,0,0]=4 1487 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [1,0,0,0,0,0|3,0,0]=4 1488 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [1,0,0,0,0,0|3,0,0]=4 1489 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [1,0,0,0,0,0|3,0,0]=4 1490 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [1,0,0,0,0,0|3,0,0]=4 1491 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [1,0,0,0,0,0|3,0,0]=4 1492 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [1,0,0,0,0,0|3,0,0]=4 1493 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [1,0,0,0,0,0|3,0,0]=4 1494 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [1,0,0,0,0,0|3,0,0]=4 1495 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [1,0,0,0,0,0|3,0,0]=4 1496 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [1,0,0,0,0,0|3,0,0]=4 1497 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [1,0,0,0,0,0|3,0,0]=4 1498 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|2,0,0]=3 1499 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|2,0,0]=3 1500 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [1,0,0,0,0,0|3,0,0]=4 1501 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [1,0,0,0,0,0|3,0,0]=4 1502 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,0,0,0,0,0|3,0,0]=4 1503 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,0,0,0,0,0|3,0,0]=4 1504 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [1,0,0,0,0,0|3,0,0]=4 1505 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [1,0,0,0,0,0|3,0,0]=4 1506 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [1,0,0,0,0,0|3,0,0]=4 1507 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [1,0,0,0,0,0|3,0,0]=4 1508 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [1,0,0,0,0,0|3,0,0]=4 1509 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [1,0,0,0,0,0|3,0,0]=4 1510 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|0,0,3]=4 1511 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|0,0,3]=4 1512 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|0,0,3]=4 1513 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|0,0,3]=4 1514 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|0,0,3]=4 1515 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [1,0,0,0,0,0|2,0,1]=4 1516 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [1,0,0,0,0,0|2,0,1]=4 1517 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [1,0,0,0,0,0|2,0,1]=4 1518 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [1,0,0,0,0,0|2,0,1]=4 1519 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [1,0,0,0,0,0|2,0,1]=4 1520 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [1,0,0,0,0,0|2,0,1]=4 1521 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [1,0,0,0,0,0|2,0,1]=4 1522 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [1,0,0,0,0,0|2,0,1]=4 1523 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [1,0,0,0,0,0|2,0,1]=4 1524 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|2,0,1]=4 1525 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|2,0,1]=4 1526 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|0,0,3]=4 1527 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|0,0,3]=4 1528 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|0,0,3]=4 1529 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|0,0,3]=4 1530 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|2,0,1]=4 1531 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|2,0,1]=4 1532 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|2,0,1]=4 1533 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|2,0,1]=4 1534 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|2,0,1]=4 1535 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|2,0,1]=4 1536 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|2,0,1]=4 1537 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|2,0,1]=4 1538 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|2,0,1]=4 1539 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|2,0,1]=4 1540 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|2,0,1]=4 1541 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|2,0,1]=4 1542 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|2,0,0]=3 1543 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [1,0,0,0,0,0|3,0,0]=4 1544 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [1,0,0,0,0,0|3,0,0]=4 1545 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [1,0,0,0,0,0|3,0,0]=4 1546 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|2,0,0]=3 1547 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,0,0,0,0,0|3,0,0]=4 1548 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,0,0,0,0,0|3,0,0]=4 1549 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [1,0,0,0,0,0|3,0,0]=4 1550 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [1,0,0,0,0,0|3,0,0]=4 1551 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [1,0,0,0,0,0|3,0,0]=4 1552 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [1,0,0,0,0,0|3,0,0]=4 1553 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [1,0,0,0,0,0|3,0,0]=4 1554 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [1,0,0,0,0,0|3,0,0]=4 1555 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|2,0,0]=3 1556 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|2,0,0]=3 1557 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [1,0,0,0,0,0|3,0,0]=4 1558 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [1,0,0,0,0,0|3,0,0]=4 1559 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [1,0,0,0,0,0|3,0,0]=4 1560 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [1,0,0,0,0,0|3,0,0]=4 1561 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [1,0,0,0,0,0|3,0,0]=4 1562 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [1,0,0,0,0,0|3,0,0]=4 1563 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [1,0,0,0,0,0|3,0,0]=4 1564 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [1,0,0,0,0,0|3,0,0]=4 1565 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [1,0,0,0,0,0|3,0,0]=4 1566 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [1,0,0,0,0,0|3,0,0]=4 1567 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [1,0,0,0,0,0|3,0,0]=4 1568 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [1,0,0,0,0,0|3,0,0]=4 1569 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [1,0,0,0,0,0|3,0,0]=4 1570 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [1,0,0,0,0,0|3,0,0]=4 1571 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|2,0,0]=3 1572 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|2,0,0]=3 1573 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [1,0,0,0,0,0|3,0,0]=4 1574 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [1,0,0,0,0,0|3,0,0]=4 1575 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,0,0,0,0,0|3,0,0]=4 1576 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,0,0,0,0,0|3,0,0]=4 1577 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [1,0,0,0,0,0|3,0,0]=4 1578 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [1,0,0,0,0,0|3,0,0]=4 1579 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [1,0,0,0,0,0|3,0,0]=4 1580 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [1,0,0,0,0,0|3,0,0]=4 1581 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [1,0,0,0,0,0|3,0,0]=4 1582 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [1,0,0,0,0,0|3,0,0]=4 1583 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|3,0,0]=4 1584 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,0,0,0,0,0|0,0,3]=4 1585 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,0,0,0,0,0|0,0,3]=4 1586 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,0,0,0,0,0|0,0,3]=4 1587 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,0,0,0,0,0|0,0,3]=4 1588 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [1,0,0,0,0,0|0,0,3]=4 1589 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [1,0,0,0,0,0|0,0,3]=4 1590 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [1,0,0,0,0,0|0,0,3]=4 1591 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [1,0,0,0,0,0|0,0,3]=4 1592 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|0,0,3]=4 1593 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|0,0,3]=4 1594 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|0,0,3]=4 1595 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|0,0,3]=4 1596 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,0,0,0,0,0|0,0,3]=4 1597 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,0,0,0,0,0|0,0,3]=4 1598 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,0,0,0,0,0|0,0,3]=4 1599 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,0,0,0,0,0|0,0,3]=4 1600 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,0,0,0,0,0|0,0,3]=4 1601 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 1602 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 1603 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 1604 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,1]=3 1605 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 1606 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 1607 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 1608 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|0,0,1]=2 1609 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|0,0,1]=2 1610 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|0,0,1]=2 1611 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|0,0,1]=2 1612 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|0,0,1]=2 1613 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|0,1,1]=3 1614 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|0,1,1]=3 1615 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|0,1,1]=3 1616 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|0,1,1]=3 1617 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|2,0,0]=3 1618 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|2,0,0]=3 1619 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|2,0,0]=3 1620 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|2,0,0]=3 1621 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|2,0,0]=3 1622 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|3,0,0]=4 1623 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|3,0,0]=4 1624 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|2,0,0]=3 1625 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1626 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|3,0,0]=4 1627 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|3,0,0]=4 1628 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|2,0,1]=4 1629 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|1,0,1]=3 1630 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|1,1,1]=4 1631 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|2,0,1]=4 1632 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|2,0,1]=4 1633 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|2,0,1]=4 1634 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|1,1,1]=4 1635 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|2,0,1]=4 1636 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|2,0,1]=4 1637 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|1,0,1]=3 1638 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|1,0,1]=3 1639 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|1,1,1]=4 1640 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|1,1,1]=4 1641 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|2,0,1]=4 1642 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|2,0,1]=4 1643 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|2,0,1]=4 1644 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|1,0,1]=3 1645 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|1,0,1]=3 1646 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|1,0,1]=3 1647 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|1,0,1]=3 1648 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|1,1,1]=4 1649 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|1,1,1]=4 1650 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|2,0,1]=4 1651 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|2,0,1]=4 1652 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|2,0,1]=4 1653 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|2,0,1]=4 1654 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|1,0,1]=3 1655 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|1,0,1]=3 1656 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|1,0,1]=3 1657 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|1,0,1]=3 1658 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|1,0,1]=3 1659 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,0,0,0,0,0|2,0,1]=4 1660 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|1,0,1]=3 1661 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|1,0,1]=3 1662 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|1,1,1]=4 1663 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|1,1,1]=4 1664 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|1,1,1]=4 1665 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|1,1,1]=4 1666 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|2,0,1]=4 1667 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|2,0,1]=4 1668 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|1,0,1]=3 1669 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|1,0,1]=3 1670 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|1,1,1]=4 1671 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|1,1,1]=4 1672 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|3,0,0]=4 1673 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|3,0,0]=4 1674 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|1,0,1]=3 1675 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|1,0,1]=3 1676 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|1,0,1]=3 1677 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|1,1,1]=4 1678 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|3,0,0]=4 1679 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|3,0,0]=4 1680 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|3,0,0]=4 1681 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|3,0,0]=4 1682 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|3,0,0]=4 1683 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|3,0,0]=4 1684 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|3,0,0]=4 1685 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 1686 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|2,0,1]=4 1687 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 1688 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 1689 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 1690 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|1,0,1]=3 1691 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|1,0,1]=3 1692 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|1,0,1]=3 1693 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|1,0,1]=3 1694 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|1,0,1]=3 1695 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|1,0,1]=3 1696 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|1,0,1]=3 1697 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|1,1,1]=4 1698 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|1,1,1]=4 1699 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|3,0,0]=4 1700 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|3,0,0]=4 1701 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|3,0,0]=4 1702 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|3,0,0]=4 1703 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|3,0,0]=4 1704 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|3,0,0]=4 1705 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|3,0,0]=4 1706 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|3,0,0]=4 1707 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|3,0,0]=4 1708 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|3,0,0]=4 1709 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|3,0,0]=4 1710 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|3,0,0]=4 1711 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|3,0,0]=4 1712 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|3,0,0]=4 1713 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [1,0,0,0,0,0|2,0,1]=4 1714 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [1,0,0,0,0,0|2,0,1]=4 1715 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|1,0,1]=3 1716 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|1,0,1]=3 1717 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|3,0,0]=4 1718 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|3,0,0]=4 1719 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|3,0,0]=4 1720 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|3,0,0]=4 1721 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|3,0,0]=4 1722 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|3,0,0]=4 1723 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|3,0,0]=4 1724 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|3,0,0]=4 1725 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|3,0,0]=4 1726 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|1,0,1]=3 1727 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|1,0,1]=3 1728 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|1,1,1]=4 1729 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|1,1,1]=4 1730 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|3,0,0]=4 1731 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|3,0,0]=4 1732 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|3,0,0]=4 1733 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|3,0,0]=4 1734 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|3,0,0]=4 1735 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|3,0,0]=4 1736 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|3,0,0]=4 1737 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [1,0,0,0,0,0|2,0,1]=4 1738 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [1,0,0,0,0,0|2,0,1]=4 1739 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [1,0,0,0,0,0|2,0,1]=4 1740 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|1,0,1]=3 1741 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|1,0,1]=3 1742 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|3,0,0]=4 1743 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|3,0,0]=4 1744 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [1,0,0,0,0,0|2,0,1]=4 1745 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [1,0,0,0,0,0|2,0,1]=4 1746 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [1,0,0,0,0,0|2,0,1]=4 1747 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|3,0,0]=4 1748 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|3,0,0]=4 1749 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|3,0,0]=4 1750 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|3,0,0]=4 1751 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|1,0,1]=3 1752 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|1,0,1]=3 1753 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [1,0,0,0,0,0|2,0,1]=4 1754 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [1,0,0,0,0,0|2,0,1]=4 1755 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [1,0,0,0,0,0|2,0,1]=4 1756 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|3,0,0]=4 1757 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|3,0,0]=4 1758 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|3,0,0]=4 1759 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|3,0,0]=4 1760 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|3,0,0]=4 1761 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|3,0,0]=4 1762 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|3,0,0]=4 1763 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|3,0,0]=4 1764 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|3,0,0]=4 1765 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|2,0,1]=4 1766 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,0,0,0,0,0|2,0,1]=4 1767 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,0,0,0,0,0|2,0,1]=4 1768 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,0,0,0,0,0|2,0,1]=4 1769 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,0,0,0,0,0|2,0,1]=4 1770 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,0,0,0,0,0|2,0,1]=4 1771 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,0,0,0,0,0|2,0,1]=4 1772 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,0,0,0,0,0|2,0,1]=4 1773 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,0,0,0,0,0|2,0,1]=4 1774 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,0,0,0,0,0|2,0,1]=4 1775 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1776 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,0,0,0,0,0|2,0,1]=4 1777 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,0,0,0,0,0|2,0,1]=4 1778 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,0,0,0,0,0|2,0,1]=4 1779 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,0,0,0,0,0|2,0,1]=4 1780 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1781 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,0,0,0,0,0|2,0,1]=4 1782 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,0,0,0,0,0|2,0,1]=4 1783 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,0,0,0,0,0|2,0,1]=4 1784 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,0,0,0,0,0|2,0,1]=4 1785 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,0,0,0,0,0|2,0,1]=4 1786 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,0,0,0,0,0|2,0,1]=4 1787 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|3,0,0]=4 1788 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|3,0,0]=4 1789 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|3,0,0]=4 1790 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|3,0,0]=4 1791 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [1,0,0,0,0,0|2,0,1]=4 1792 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [1,0,0,0,0,0|2,0,1]=4 1793 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [1,0,0,0,0,0|2,0,1]=4 1794 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [1,0,0,0,0,0|2,0,1]=4 1795 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [1,0,0,0,0,0|2,0,1]=4 1796 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [1,0,0,0,0,0|2,0,1]=4 1797 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [1,0,0,0,0,0|2,0,1]=4 1798 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [1,0,0,0,0,0|2,0,1]=4 1799 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [1,0,0,0,0,0|2,0,1]=4 1800 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 1801 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|2,0,1]=4 1802 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 1803 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|2,0,1]=4 1804 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|2,0,1]=4 1805 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|1,0,1]=3 1806 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|1,0,1]=3 1807 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|1,0,1]=3 1808 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [1,0,0,0,0,0|2,0,1]=4 1809 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [1,0,0,0,0,0|2,0,1]=4 1810 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [1,0,0,0,0,0|2,0,1]=4 1811 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [1,0,0,0,0,0|2,0,1]=4 1812 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [1,0,0,0,0,0|2,0,1]=4 1813 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [1,0,0,0,0,0|2,0,1]=4 1814 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|1,0,1]=3 1815 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|1,0,1]=3 1816 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|1,0,1]=3 1817 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|1,0,1]=3 1818 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|1,0,1]=3 1819 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|1,0,1]=3 1820 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|1,0,1]=3 1821 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|1,0,1]=3 1822 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|1,0,1]=3 1823 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|1,0,1]=3 1824 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|1,0,1]=3 1825 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|1,0,1]=3 1826 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|1,0,1]=3 1827 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,0,0,0,0,0|2,0,1]=4 1828 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [1,0,0,0,0,0|2,0,1]=4 1829 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,0,0,0,0,0|2,0,1]=4 1830 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,0,0,0,0,0|2,0,1]=4 1831 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,0,0,0,0,0|2,0,1]=4 1832 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,0,0,0,0,0|2,0,1]=4 1833 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,0,0,0,0,0|2,0,1]=4 1834 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,0,0,0,0,0|2,0,1]=4 1835 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,0,0,0,0,0|2,0,1]=4 1836 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [1,0,0,0,0,0|2,0,1]=4 1837 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [1,0,0,0,0,0|2,0,1]=4 1838 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,0,0,0,0,0|2,0,1]=4 1839 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,0,0,0,0,0|2,0,1]=4 1840 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [1,0,0,0,0,0|2,0,1]=4 1841 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [1,0,0,0,0,0|2,0,1]=4 1842 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [1,0,0,0,0,0|2,0,1]=4 1843 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [1,0,0,0,0,0|2,0,1]=4 1844 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [1,0,0,0,0,0|2,0,1]=4 1845 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [1,0,0,0,0,0|2,0,1]=4 1846 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [1,0,0,0,0,0|2,0,1]=4 1847 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,0,0,0,0,0|2,0,1]=4 1848 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [1,0,0,0,0,0|2,0,1]=4 1849 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [1,0,0,0,0,0|2,0,1]=4 1850 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [1,0,0,0,0,0|2,0,1]=4 1851 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [1,0,0,0,0,0|2,0,1]=4 1852 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [1,0,0,0,0,0|2,0,1]=4 1853 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [1,0,0,0,0,0|2,0,1]=4 1854 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [1,0,0,0,0,0|2,0,1]=4 1855 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [1,0,0,0,0,0|2,0,1]=4 1856 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [1,0,0,0,0,0|2,0,1]=4 1857 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [1,0,0,0,0,0|2,0,1]=4 1858 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,0,0,0,0,0|2,0,1]=4 1859 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [1,0,0,0,0,0|2,0,1]=4 1860 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [1,0,0,0,0,0|2,0,1]=4 1861 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [1,0,0,0,0,0|2,0,1]=4 1862 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [1,0,0,0,0,0|2,0,1]=4 1863 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [1,0,0,0,0,0|2,0,1]=4 1864 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [1,0,0,0,0,0|2,0,1]=4 1865 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [1,0,0,0,0,0|2,0,1]=4 1866 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [1,0,0,0,0,0|2,0,1]=4 1867 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,0,0,0,0,0|2,0,1]=4 1868 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,0,0,0,0,0|2,0,1]=4 1869 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [1,0,0,0,0,0|2,0,1]=4 1870 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [1,0,0,0,0,0|2,0,1]=4 1871 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [1,0,0,0,0,0|2,0,1]=4 1872 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [1,0,0,0,0,0|2,0,1]=4 1873 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [1,0,0,0,0,0|2,0,1]=4 1874 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,0,0,0,0,0|2,0,1]=4 1875 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,0,0,0,0,0|2,0,1]=4 1876 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,0,0,0,0,0|2,0,1]=4 1877 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [1,0,0,0,0,0|2,0,1]=4 1878 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [1,0,0,0,0,0|2,0,1]=4 1879 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [1,0,0,0,0,0|2,0,1]=4 1880 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [1,0,0,0,0,0|2,0,1]=4 1881 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [1,0,0,0,0,0|2,0,1]=4 1882 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [1,0,0,0,0,0|2,0,1]=4 1883 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [1,0,0,0,0,0|2,0,1]=4 1884 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [1,0,0,0,0,0|2,0,1]=4 1885 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [1,0,0,0,0,0|2,0,1]=4 1886 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,0,0,0,0,0|2,0,1]=4 1887 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [1,0,0,0,0,0|2,0,1]=4 1888 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [1,0,0,0,0,0|2,0,1]=4 1889 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [1,0,0,0,0,0|2,0,1]=4 1890 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [1,0,0,0,0,0|2,0,1]=4 1891 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [1,0,0,0,0,0|2,0,1]=4 1892 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [1,0,0,0,0,0|2,0,1]=4 1893 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [1,0,0,0,0,0|2,0,1]=4 1894 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [1,0,0,0,0,0|2,0,1]=4 1895 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [1,0,0,0,0,0|2,0,1]=4 1896 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [1,0,0,0,0,0|2,0,1]=4 1897 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,0,0,0,0,0|2,0,1]=4 1898 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,0,0,0,0,0|2,0,1]=4 1899 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,0,0,0,0,0|2,0,1]=4 1900 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [1,0,0,0,0,0|2,0,1]=4 1901 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [1,0,0,0,0,0|2,0,1]=4 1902 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,0,0,0,0,0|2,0,1]=4 1903 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,0,0,0,0,0|2,0,1]=4 1904 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|1,1,1]=4 1905 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|1,1,1]=4 1906 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 1907 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 1908 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|1,0,1]=3 1909 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|1,0,1]=3 1910 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|1,0,1]=3 1911 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [1,0,0,0,0,0|2,0,1]=4 1912 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|1,1,1]=4 1913 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|1,1,1]=4 1914 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [1,0,0,0,0,0|1,0,1]=3 1915 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [1,0,0,0,0,0|2,0,1]=4 1916 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [1,0,0,0,0,0|2,0,1]=4 1917 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [1,0,0,0,0,0|2,0,1]=4 1918 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [1,0,0,0,0,0|2,0,1]=4 1919 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [1,0,0,0,0,0|2,0,1]=4 1920 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [1,0,0,0,0,0|2,0,1]=4 1921 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,0,0,0,0,0|1,0,2]=4 1922 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,0,0,0,0,0|1,0,2]=4 1923 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [1,0,0,0,0,0|1,0,2]=4 1924 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1925 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1926 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1927 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [1,0,0,0,0,0|1,0,2]=4 1928 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [1,0,0,0,0,0|1,0,2]=4 1929 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [1,0,0,0,0,0|1,0,2]=4 1930 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [1,0,0,0,0,0|1,0,2]=4 1931 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [1,0,0,0,0,0|1,0,2]=4 1932 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [1,0,0,0,0,0|1,0,2]=4 1933 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [1,0,0,0,0,0|1,0,2]=4 1934 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [1,0,0,0,0,0|1,0,2]=4 1935 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [1,0,0,0,0,0|1,0,2]=4 1936 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [1,0,0,0,0,0|1,0,2]=4 1937 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,0,0,0,0,0|1,0,1]=3 1938 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [1,0,0,0,0,0|2,0,1]=4 1939 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [1,0,0,0,0,0|2,0,1]=4 1940 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [1,0,0,0,0,0|2,0,1]=4 1941 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [1,0,0,0,0,0|2,0,1]=4 1942 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [1,0,0,0,0,0|2,0,1]=4 1943 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [1,0,0,0,0,0|2,0,1]=4 1944 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [1,0,0,0,0,0|2,0,1]=4 1945 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [1,0,0,0,0,0|2,0,1]=4 1946 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,0,0,0,0,0|1,0,2]=4 1947 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,0,0,0,0,0|1,0,2]=4 1948 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [1,0,0,0,0,0|1,0,2]=4 1949 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1950 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1951 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1952 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [1,0,0,0,0,0|1,0,2]=4 1953 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [1,0,0,0,0,0|1,0,2]=4 1954 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [1,0,0,0,0,0|1,0,2]=4 1955 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [1,0,0,0,0,0|1,0,2]=4 1956 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [1,0,0,0,0,0|1,0,2]=4 1957 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [1,0,0,0,0,0|1,0,2]=4 1958 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [1,0,0,0,0,0|1,0,2]=4 1959 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [1,0,0,0,0,0|1,0,2]=4 1960 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [1,0,0,0,0,0|1,0,2]=4 1961 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [1,0,0,0,0,0|1,0,2]=4 1962 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [1,0,0,0,0,0|1,0,2]=4 1963 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [1,0,0,0,0,0|1,0,2]=4 1964 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [1,0,0,0,0,0|1,0,2]=4 1965 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,0,0,0,0,0|1,0,2]=4 1966 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [1,0,0,0,0,0|1,0,2]=4 1967 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [1,0,0,0,0,0|1,0,2]=4 1968 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,0,0,0,0,0|2,0,1]=4 1969 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,0,0,0,0|2,0,0]=3 1970 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,0,0,0,0|2,0,0]=3 1971 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,0,0,0,0|2,0,0]=3 1972 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,0,0,0,0|2,0,0]=3 1973 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,0,0,0,0,0|3,0,0]=4 1974 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,0,0,0,0,0|3,0,0]=4 1975 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,0,0,0,0,0|3,0,0]=4 1976 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,0,0,0,0,0|3,0,0]=4 1977 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [1,0,0,0,0,0|3,0,0]=4 1978 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [1,0,0,0,0,0|3,0,0]=4 1979 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [1,0,0,0,0,0|3,0,0]=4 1980 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [1,0,0,0,0,0|3,0,0]=4 1981 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [1,0,0,0,0,0|3,0,0]=4 1982 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [1,0,0,0,0,0|3,0,0]=4 1983 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,0,0,0,0,0|3,0,0]=4 1984 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,0,0,0,0,0|3,0,0]=4 1985 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [1,0,0,0,0,0|3,0,0]=4 1986 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [1,0,0,0,0,0|3,0,0]=4 1987 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [1,0,0,0,0,0|3,0,0]=4 1988 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [1,0,0,0,0,0|3,0,0]=4 1989 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,0,0,0,0,0|3,0,0]=4 1990 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,0,0,0,0,0|3,0,0]=4 1991 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,0,0,0,0,0|3,0,0]=4 1992 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,0,0,0,0,0|3,0,0]=4 1993 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,0,0,0,0,0|3,0,0]=4 1994 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,0,0,0,0,0|3,0,0]=4 1995 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,0,0,0,0,0|3,0,0]=4 1996 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,0,0,0,0,0|3,0,0]=4 1997 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,0,0,0,0,0|3,0,0]=4 1998 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,0,0,0,0,0|1,0,2]=4 1999 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [1,0,0,0,0,0|1,0,2]=4 2000 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 2001 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 2002 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 2003 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,0,0,0,0,0|1,0,2]=4 2004 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,0,0,0,0,0|1,0,2]=4 2005 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,0,0,0,0,0|1,0,2]=4 2006 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,0,0,0,0,0|1,0,2]=4 2007 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,0,0,0,0|1,0,0]=2 2008 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,0,0,0,0|1,0,0]=2 2009 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,0,0,0,0|2,0,0]=3 2010 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,0,0,0,0|2,0,0]=3 2011 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,0,0,0,0|1,0,0]=2 2012 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 2013 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 2014 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 2015 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 2016 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 2017 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,0,0,0,0,0|2,0,1]=4 2018 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 2019 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,0,0,0,0,0|2,0,1]=4 2020 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 2021 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 2022 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 2023 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,0,0,0,0,0|1,0,1]=3 2024 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,0,0,0,0,0|1,0,1]=3 2025 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,0,0,0,0,0|1,0,1]=3 2026 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,0,0,0,0,0|1,0,1]=3 2027 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,0,0,0,0,0|1,0,1]=3 2028 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,0,0,0,0,0|1,1,1]=4 2029 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,0,0,0,0,0|1,1,1]=4 2030 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,0,0,0,0,0|1,1,1]=4 2031 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,0,0,0,0,0|1,1,1]=4 2032 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,0,0,0,0,0|3,0,0]=4 2033 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,0,0,0,0,0|3,0,0]=4 2034 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,0,0,0,0,0|3,0,0]=4 2035 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,0,0,0,0,0|3,0,0]=4 2036 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,0,0,0,0|2,0,0]=3 2037 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,0,0,0,0|2,0,0]=3 2038 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,0,0,0,0|2,0,0]=3 2039 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,0,0,0,0|2,0,0]=3 2040 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,0,0,0,0|3,0,0]=4 2041 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,0,0,0,0|3,0,0]=4 2042 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,0,0,0,0|2,0,0]=3 2043 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 2044 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 2045 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 2046 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 2047 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,0,0,0,0|2,0,0]=3 2048 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [1,0,0,0,0,0|2,0,1]=4 2049 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [1,0,0,0,0,0|2,0,1]=4 2050 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,0,0,0,0|2,0,0]=3 2051 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [1,0,0,0,0,0|2,0,0]=3 2052 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [1,0,0,0,0,0|2,0,0]=3 2053 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [1,0,0,0,0,0|2,0,0]=3 2054 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,0,0,0,0,0|1,0,0]=2 2055 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,0,0,0,0,0|1,0,0]=2 2056 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [1,0,0,0,0,0|2,0,1]=4 2057 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,0,0,0,0,0|3,0,0]=4 2058 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [1,0,0,0,0,0|3,0,0]=4 2059 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [1,0,0,0,0,0|3,0,0]=4 2060 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [1,0,0,0,0,0|3,0,0]=4 2061 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,0,0,0,0|2,0,0]=3 2062 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,0,0,0,0|2,0,0]=3 2063 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,0,0,0,0|2,0,0]=3 2064 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,0,0,0,0|2,0,0]=3 2065 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [1,0,0,0,0,0|3,0,0]=4 2066 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,0,0,0,0,0|3,0,0]=4 2067 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,0,0,0,0,0|2,0,0]=3 2068 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 2069 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 2070 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,0,0,0,0,0|2,0,0]=3 2071 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,0,0,0,0,0|2,0,0]=3 2072 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 2073 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,0,0,0,0,0|2,0,0]=3 2074 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,0,0,0,0,0|1,0,0]=2 2075 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,0,0,0,0,0|1,0,0]=2 2076 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [1,0,0,0,0,0|2,0,1]=4 2077 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [1,0,0,0,0,0|2,0,1]=4 2078 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [1,0,0,0,0,0|2,0,1]=4 2079 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [1,0,0,0,0,0|2,0,1]=4 2080 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [1,0,0,0,0,0|2,0,1]=4 2081 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,0,0,0,0|2,0,0]=3 2082 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,0,0,0,0|2,0,0]=3 2083 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,0,0,0,0|2,0,0]=3 2084 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [1,0,0,0,0,0|3,0,0]=4 2085 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [1,0,0,0,0,0|2,0,0]=3 2086 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 2087 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 2088 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 2089 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [1,0,0,0,0,0|2,0,0]=3 2090 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [1,0,0,0,0,0|2,0,0]=3 2091 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,0,0,0,0,0|1,0,0]=2 2092 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,0,0,0,0,0|1,0,0]=2 2093 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,0,0,0,0,0|2,0,0]=3 2094 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,0,0,0,0,0|2,0,0]=3 2095 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [1,0,0,0,0,0|2,0,1]=4 2096 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,0,0,0,0|2,0,0]=3 2097 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,0,0,0,0,0|3,0,0]=4 2098 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,0,0,0,0,0|2,0,0]=3 2099 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,0,0,0,0,0|2,0,0]=3 2100 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,0,0,0,0,0|1,0,0]=2 2101 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,0,0,0,0,0|2,0,1]=4 2102 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,0,0,0,0,0|2,0,0]=3 2103 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,0,0,0,0,0|2,0,0]=3 2104 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,0,0,0,0,0|1,0,0]=2 2105 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,0,0,0,0,0|1,0,0]=2 2106 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,0,0,0,0,0|2,0,0]=3 2107 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [1,0,0,0,0,0|1,0,2]=4 2108 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,0,0,0,0,0|2,0,0]=3 2109 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,0,0,0,0,0|2,0,0]=3 2110 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,0,0,0,0,0|2,0,0]=3 2111 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,0,0,0,0,0|1,0,0]=2 2112 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,0,0,0,0|3,0,0]=4 2113 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,0,0,0,0,0|3,0,0]=4 2114 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [1,0,0,0,0,0|2,0,1]=4 2115 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [1,0,0,0,0,0|1,0,2]=4 2116 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,0,0,0,0|2,0,0]=3 2117 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,0,0,0,0,0|3,0,0]=4 2118 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,0,0,0,0,0|2,0,0]=3 2119 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [1,0,0,0,0,0|3,0,0]=4 2120 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,0,0,0,0,0|1,0,0]=2 2121 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,0,0,0,0,0|3,0,0]=4 2122 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,0,0,0,0,0|3,0,0]=4 2123 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,0,0,0,0,0|3,0,0]=4 2124 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,0,0,0,0,0|3,0,0]=4 2125 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,0,0,0,0,0|3,0,0]=4 2126 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,0,0,0,0,0|3,0,0]=4 2127 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,0,0,0,0,0|3,0,0]=4 2128 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,0,0,0,0,0|3,0,0]=4 2129 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,0,0,0,0,0|3,0,0]=4 2130 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,0,0,0,0,0|3,0,0]=4 2131 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,0,0,0,0,0|3,0,0]=4 2132 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,0,0,0,0,0|3,0,0]=4 2133 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,0,0,0,0,0|2,0,0]=3 2134 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,0,0,0,0,0|3,0,0]=4 2135 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,0,0,0,0|3,0,0]=4 2136 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,0,0,0,0,0|2,0,0]=3 2137 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,0,0,0,0,0|3,0,0]=4 2138 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,0,0,0,0,0|3,0,0]=4 2139 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [1,0,0,0,0,0|3,0,0]=4 2140 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [1,0,0,0,0,0|3,0,0]=4 2141 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [1,0,0,0,0,0|2,0,0]=3 2142 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [1,0,0,0,0,0|2,0,0]=3 2143 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [1,0,0,0,0,0|1,0,2]=4 2144 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [1,0,0,0,0,0|1,0,2]=4 2145 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,0,0,0,0,0|2,0,0]=3 2146 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,0,0,0,0,0|2,0,0]=3 2147 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,0,0,0,0,0|1,0,0]=2 2148 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,0,0,0,0,0|1,0,0]=2 2149 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,0,0,0,0,0|3,0,0]=4 2150 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,0,0,0,0,0|3,0,0]=4 2151 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,0,0,0,0,0|3,0,0]=4 2152 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,0,0,0,0,0|3,0,0]=4 2153 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,0,0,0,0,0|3,0,0]=4 2154 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 2155 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 2156 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 2157 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 2158 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,0,0,0,0,0|3,0,0]=4 2159 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,0,0,0,0|3,0,0]=4 2160 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,0,0,0,0|3,0,0]=4 2161 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,0,0,0,0,0|2,0,0]=3 2162 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [1,0,0,0,0,0|3,0,0]=4 2163 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [1,0,0,0,0,0|3,0,0]=4 2164 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [1,0,0,0,0,0|3,0,0]=4 2165 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [1,0,0,0,0,0|3,0,0]=4 2166 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [1,0,0,0,0,0|3,0,0]=4 2167 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [1,0,0,0,0,0|3,0,0]=4 2168 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [1,0,0,0,0,0|3,0,0]=4 2169 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [1,0,0,0,0,0|3,0,0]=4 2170 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [1,0,0,0,0,0|3,0,0]=4 2171 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [1,0,0,0,0,0|3,0,0]=4 2172 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [1,0,0,0,0,0|3,0,0]=4 2173 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [1,0,0,0,0,0|3,0,0]=4 2174 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [1,0,0,0,0,0|3,0,0]=4 2175 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [1,0,0,0,0,0|3,0,0]=4 2176 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [1,0,0,0,0,0|3,0,0]=4 2177 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [1,0,0,0,0,0|3,0,0]=4 2178 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [1,0,0,0,0,0|3,0,0]=4 2179 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [1,0,0,0,0,0|3,0,0]=4 2180 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [1,0,0,0,0,0|3,0,0]=4 2181 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [1,0,0,0,0,0|3,0,0]=4 2182 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [1,0,0,0,0,0|3,0,0]=4 2183 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [1,0,0,0,0,0|3,0,0]=4 2184 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [1,0,0,0,0,0|3,0,0]=4 2185 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [1,0,0,0,0,0|3,0,0]=4 2186 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [1,0,0,0,0,0|3,0,0]=4 2187 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [1,0,0,0,0,0|3,0,0]=4 2188 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [1,0,0,0,0,0|3,0,0]=4 2189 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [1,0,0,0,0,0|3,0,0]=4 2190 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [1,0,0,0,0,0|3,0,0]=4 2191 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [1,0,0,0,0,0|3,0,0]=4 2192 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [1,0,0,0,0,0|3,0,0]=4 2193 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [1,0,0,0,0,0|3,0,0]=4 2194 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [1,0,0,0,0,0|3,0,0]=4 2195 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [1,0,0,0,0,0|3,0,0]=4 2196 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [1,0,0,0,0,0|3,0,0]=4 2197 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [1,0,0,0,0,0|3,0,0]=4 2198 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [1,0,0,0,0,0|3,0,0]=4 2199 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [1,0,0,0,0,0|3,0,0]=4 2200 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [1,0,0,0,0,0|3,0,0]=4 2201 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [1,0,0,0,0,0|3,0,0]=4 2202 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [1,0,0,0,0,0|3,0,0]=4 2203 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,0,0,0,0,0|3,0,0]=4 2204 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [1,0,0,0,0,0|3,0,0]=4 2205 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 2206 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 2207 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [1,0,0,0,0,0|3,0,0]=4 2208 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [1,0,0,0,0,0|3,0,0]=4 2209 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 2210 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [1,0,0,0,0,0|3,0,0]=4 2211 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [1,0,0,0,0,0|3,0,0]=4 2212 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [1,0,0,0,0,0|3,0,0]=4 2213 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [1,0,0,0,0,0|3,0,0]=4 2214 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [1,0,0,0,0,0|3,0,0]=4 2215 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [1,0,0,0,0,0|3,0,0]=4 2216 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [1,0,0,0,0,0|3,0,0]=4 2217 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [1,0,0,0,0,0|3,0,0]=4 2218 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [1,0,0,0,0,0|3,0,0]=4 2219 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [1,0,0,0,0,0|3,0,0]=4 2220 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [1,0,0,0,0,0|3,0,0]=4 2221 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,0,0,0,0,0|3,0,0]=4 2222 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 2223 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 2224 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 2225 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 2226 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,0,0,0,0,0|3,0,0]=4 2227 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 2228 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [1,0,0,0,0,0|3,0,0]=4 2229 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 2230 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [1,0,0,0,0,0|3,0,0]=4 2231 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [1,0,0,0,0,0|3,0,0]=4 2232 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [1,0,0,0,0,0|3,0,0]=4 2233 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 2234 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 2235 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 2236 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 2237 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [1,0,0,0,0,0|3,0,0]=4 2238 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,0,0,0,0,0|1,0,0]=2 2239 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,0,0,0,0,0|1,0,0]=2 2240 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,0,0,0,0,0|1,0,0]=2 2241 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [1,0,0,0,0,0|2,0,0]=3 2242 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [1,0,0,0,0,0|2,0,0]=3 2243 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [1,0,0,0,0,0|2,0,0]=3 2244 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,0,0,0,0,0|1,0,0]=2 2245 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,0,0,0,0,0|1,0,0]=2 2246 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,0,0,0,0,0|1,0,0]=2 2247 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,0,0,0,0,0|1,0,0]=2 2248 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,0,0,0,0,0|1,0,0]=2 2249 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,0,0,0,0,0|1,0,0]=2 2250 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [1,0,0,0,0,0|2,0,0]=3 2251 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [1,0,0,0,0,0|2,0,0]=3 2252 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [1,0,0,0,0,0|2,0,0]=3 2253 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [1,0,0,0,0,0|2,0,0]=3 2254 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [1,0,0,0,0,0|2,0,0]=3 2255 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [1,0,0,0,0,0|2,0,0]=3 2256 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [1,0,0,0,0,0|2,0,0]=3 2257 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [1,0,0,0,0,0|2,0,1]=4 2258 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [1,0,0,0,0,0|2,0,1]=4 2259 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [1,0,0,0,0,0|2,0,1]=4 2260 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [1,0,0,0,0,0|2,0,1]=4 2261 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [1,0,0,0,0,0|2,0,0]=3 2262 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [1,0,0,0,0,0|2,0,0]=3 2263 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [1,0,0,0,0,0|2,0,0]=3 2264 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [1,0,0,0,0,0|2,0,0]=3 2265 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [1,0,0,0,0,0|2,0,0]=3 2266 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [1,0,0,0,0,0|2,0,0]=3 2267 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [1,0,0,0,0,0|2,0,0]=3 2268 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [1,0,0,0,0,0|2,0,0]=3 2269 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [1,0,0,0,0,0|2,0,0]=3 2270 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [1,0,0,0,0,0|2,0,0]=3 2271 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [1,0,0,0,0,0|2,0,0]=3 2272 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [1,0,0,0,0,0|2,0,0]=3 2273 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [1,0,0,0,0,0|2,0,0]=3 2274 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [1,0,0,0,0,0|3,0,0]=4 2275 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [1,0,0,0,0,0|2,0,0]=3 2276 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [1,0,0,0,0,0|2,0,0]=3 2277 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [1,0,0,0,0,0|2,0,0]=3 2278 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [1,0,0,0,0,0|2,0,0]=3 2279 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [1,0,0,0,0,0|2,0,0]=3 2280 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [1,0,0,0,0,0|2,0,0]=3 2281 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [1,0,0,0,0,0|2,0,1]=4 2282 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [1,0,0,0,0,0|2,0,1]=4 2283 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [1,0,0,0,0,0|2,0,0]=3 2284 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [1,0,0,0,0,0|2,0,0]=3 2285 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [1,0,0,0,0,0|2,0,0]=3 2286 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [1,0,0,0,0,0|2,0,0]=3 2287 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [1,0,0,0,0,0|2,0,0]=3 2288 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [1,0,0,0,0,0|2,0,0]=3 2289 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [1,0,0,0,0,0|3,0,0]=4 2290 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [1,0,0,0,0,0|3,0,0]=4 2291 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [1,0,0,0,0,0|3,0,0]=4 2292 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [1,0,0,0,0,0|3,0,0]=4 2293 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [1,0,0,0,0,0|3,0,0]=4 2294 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,0,0,0,0,0|3,0,0]=4 2295 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,0,0,0,0,0|1,0,0]=2 2296 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,0,0,0,0,0|1,0,0]=2 2297 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,0,0,0,0,0|1,0,0]=2 2298 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [1,0,0,0,0,0|2,0,0]=3 2299 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [1,0,0,0,0,0|2,0,0]=3 2300 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [1,0,0,0,0,0|2,0,0]=3 2301 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [1,0,0,0,0,0|2,0,0]=3 2302 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [1,0,0,0,0,0|2,0,0]=3 2303 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [1,0,0,0,0,0|2,0,0]=3 2304 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [1,0,0,0,0,0|2,0,0]=3 2305 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [1,0,0,0,0,0|3,0,0]=4 2306 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,0,0,0,0,0|3,0,0]=4 2307 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,0,0,0,0,0|3,0,0]=4 2308 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,0,0,0,0,0|3,0,0]=4 2309 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,1,0,0,0,0|1,0,1]=3 2310 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,1,0,0,0,0|1,0,1]=3 2311 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,1,0,0,0,0|2,0,1]=4 2312 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,1,0,0,0,0|2,0,1]=4 2313 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,1,0,0,0,0|2,0,1]=4 2314 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,1,0,0,0,0|2,0,1]=4 2315 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,1,0,0,0,0|2,0,1]=4 2316 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,1,0,0,0,0|2,0,1]=4 2317 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,1,0,0,0,0|2,0,1]=4 2318 B11R0.4 C#CCCCCCC(=O)C#CC 1458a_100000763181_100012094781 [0,1,0,0,0,0|1,0,2]=4 2319 B11R0.4 C#CCCCCCC(=O)C=CC 1458a_100000210699_100012094781 [0,1,0,0,0,0|1,0,2]=4 2320 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,1,0,0,0,0|1,0,2]=4 2321 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,1,0,0,0,0|1,0,2]=4 2322 B11R0.4 C#CCCCCCC(=O)CCF 1458a_100000694772_100011217306 [0,1,0,0,0,0|1,0,2]=4 2323 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,1,0,0,0,0|1,0,2]=4 2324 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,1,0,0,0,0|1,0,2]=4 2325 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,1,0,0,0,0|0,0,2]=3 2326 B11R0.4 C#CCCCCCC(=O)CSC 1458a_100000184570_100012094781 [0,1,0,0,0,0|0,1,2]=4 2327 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,1,0,0,0,0|1,0,2]=4 2328 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,1,0,0,0,0|1,0,2]=4 2329 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,1,0,0,0,0|1,0,2]=4 2330 B11R0.4 C#CCCCCCC(=O)NNC 22a_100016993582_100000694772 [0,1,0,0,0,0|1,0,2]=4 2331 B11R0.4 C#CCCCCNC(=O)COC 11a_100000706060_100000210968 [0,1,0,0,0,0|1,0,2]=4 2332 B11R0.4 C#CCCCCNC(=O)COC 1626a_100000706060_100000210968 [0,1,0,0,0,0|1,0,2]=4 2333 B11R0.4 C#CCCCCNC(=O)COC 240690a_100000706060_100000210968 [0,1,0,0,0,0|1,0,2]=4 2334 B11R0.4 C#CCCCCNC(=O)COC 527a_100000706060_100000210968 [0,1,0,0,0,0|1,0,2]=4 2335 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,1,0,0,0,0|1,0,2]=4 2336 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,1,0,0,0,0|1,0,2]=4 2337 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,1,0,0,0,0|1,0,2]=4 2338 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,1,0,0,0,0|1,0,2]=4 2339 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,1,0,0,0,0|1,0,2]=4 2340 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [0,1,0,0,0,0|1,0,2]=4 2341 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [0,1,0,0,0,0|1,0,2]=4 2342 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [0,1,0,0,0,0|1,0,2]=4 2343 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [0,1,0,0,0,0|1,0,2]=4 2344 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [0,1,0,0,0,0|1,0,2]=4 2345 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [0,1,0,0,0,0|1,0,2]=4 2346 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [0,1,0,0,0,0|1,0,2]=4 2347 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [0,1,0,0,0,0|1,0,2]=4 2348 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,1,0,0,0,0|1,0,2]=4 2349 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,1,0,0,0,0|1,0,2]=4 2350 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,1,0,0,0,0|1,0,2]=4 2351 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,1,0,0,0,0|1,0,2]=4 2352 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|1,0,1]=3 2353 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|1,0,1]=3 2354 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,1,0,0,0,0|2,0,1]=4 2355 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,0,0,0,0|2,0,1]=4 2356 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,0,0,0,0|2,0,1]=4 2357 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,1,0,0,0,0|2,0,1]=4 2358 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,1,0,0,0,0|2,0,1]=4 2359 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,1,0,0,0,0|2,0,1]=4 2360 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,1,0,0,0,0|2,0,1]=4 2361 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,1,0,0,0,0|2,0,1]=4 2362 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,1,0,0,0,0|2,0,1]=4 2363 B11R0.4 C=CCCCCCC(=O)C#CC 1458a_100000763181_100000700193 [0,1,0,0,0,0|1,0,2]=4 2364 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,1,0,0,0,0|1,0,2]=4 2365 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,1,0,0,0,0|1,0,2]=4 2366 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,1,0,0,0,0|1,0,2]=4 2367 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,1,0,0,0,0|1,0,2]=4 2368 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,1,0,0,0,0|1,0,2]=4 2369 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,1,0,0,0,0|1,0,2]=4 2370 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,1,0,0,0,0|0,0,2]=3 2371 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,1,0,0,0,0|0,1,2]=4 2372 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,1,0,0,0,0|1,0,2]=4 2373 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,1,0,0,0,0|1,0,2]=4 2374 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,1,0,0,0,0|1,0,2]=4 2375 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,1,0,0,0,0|1,0,2]=4 2376 B11R0.4 C=CCCCCNC(=O)COC 11a_100000703577_100000210968 [0,1,0,0,0,0|1,0,2]=4 2377 B11R0.4 C=CCCCCNC(=O)COC 1626a_100000703577_100000210968 [0,1,0,0,0,0|1,0,2]=4 2378 B11R0.4 C=CCCCCNC(=O)COC 240690a_100000703577_100000210968 [0,1,0,0,0,0|1,0,2]=4 2379 B11R0.4 C=CCCCCNC(=O)COC 527a_100000703577_100000210968 [0,1,0,0,0,0|1,0,2]=4 2380 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,1,0,0,0,0|1,0,2]=4 2381 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,1,0,0,0,0|1,0,2]=4 2382 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,1,0,0,0,0|1,0,2]=4 2383 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,1,0,0,0,0|1,0,2]=4 2384 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,1,0,0,0,0|1,0,2]=4 2385 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,1,0,0,0,0|1,0,2]=4 2386 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,1,0,0,0,0|1,0,2]=4 2387 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,1,0,0,0,0|1,0,2]=4 2388 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,1,0,0,0,0|1,0,2]=4 2389 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,1,0,0,0,0|1,0,2]=4 2390 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,1,0,0,0,0|1,0,2]=4 2391 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,1,0,0,0,0|1,0,2]=4 2392 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,1,0,0,0,0|1,0,2]=4 2393 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,1,0,0,0,0|1,0,2]=4 2394 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,1,0,0,0,0|1,0,2]=4 2395 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,1,0,0,0,0|1,0,1]=3 2396 B11R0.4 C=COC(=O)CNCCCCO 2230a_100000750430_100000036128 [0,1,0,0,0,0|2,0,1]=4 2397 B11R0.4 C=COC(=O)CNCCCCO 34a_100000750430_100000036128 [0,1,0,0,0,0|2,0,1]=4 2398 B11R0.4 C=COC(=O)CNCCCOC 34a_100150723488_100000036128 [0,1,0,0,0,0|2,0,1]=4 2399 B11R0.4 C=COC(=O)CNCCCSC 2230a_100000749238_100000036128 [0,1,0,0,0,0|2,0,1]=4 2400 B11R0.4 C=COC(=O)CNCCOCC 2230a_102516460346_100000036128 [0,1,0,0,0,0|2,0,1]=4 2401 B11R0.4 C=COC(=O)CNCCOCC 34a_102516460346_100000036128 [0,1,0,0,0,0|2,0,1]=4 2402 B11R0.4 C=COC(=O)CNCCSCC 2230a_100000106463_100000036128 [0,1,0,0,0,0|2,0,1]=4 2403 B11R0.4 C=COC(=O)COCCCCBr 34a_100011216708_100000036128 [0,1,0,0,0,0|2,0,1]=4 2404 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,1,0,0,0,0|1,0,1]=3 2405 B11R0.4 C=COC(=O)COCCCCCl 34a_100000210776_100000036128 [0,1,0,0,0,0|2,0,1]=4 2406 B11R0.4 C=COC(=O)COCCCCF 34a_100011995726_100000036128 [0,1,0,0,0,0|2,0,1]=4 2407 B11R0.4 C=COC(=O)COCCCCI 34a_200012148704_100000036128 [0,1,0,0,0,0|2,0,1]=4 2408 B11R0.4 C=COC(=O)COCCCCN 34a_100000750430_100000036128 [0,1,0,0,0,0|2,0,1]=4 2409 B11R0.4 C=COC(=O)COCCCNC 34a_100000213112_100000036128 [0,1,0,0,0,0|2,0,1]=4 2410 B11R0.4 C=COC(=O)COCCCOC 34a_100000740835_100000036128 [0,1,0,0,0,0|2,0,1]=4 2411 B11R0.4 C=COC(=O)COCCCSC 34a_100000690336_100000036128 [0,1,0,0,0,0|2,0,1]=4 2412 B11R0.4 C=COC(=O)COCCOCC 34a_100000210136_100000036128 [0,1,0,0,0,0|2,0,1]=4 2413 B11R0.4 C=COC(=O)COCCSCC 34a_100000212035_100000036128 [0,1,0,0,0,0|2,0,1]=4 2414 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,1,0,0,0,0|1,0,1]=3 2415 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,1,0,0,0,0|1,0,1]=3 2416 B11R0.4 C=COC(=O)CSCCCCF 62a_100000036128_100000729493 [0,1,0,0,0,0|2,0,1]=4 2417 B11R0.4 C=COC(=O)CSCCCCF 62a_100000729493_100000036128 [0,1,0,0,0,0|2,0,1]=4 2418 B11R0.4 C=COC(=O)CSCCCCO 62a_100000036128_100000210776 [0,1,0,0,0,0|2,0,1]=4 2419 B11R0.4 C=COC(=O)CSCCCCO 62a_100000210776_100000036128 [0,1,0,0,0,0|2,0,1]=4 2420 B11R0.4 C=COC(=O)CSCCCOC 62a_100000036128_100000709357 [0,1,0,0,0,0|2,0,1]=4 2421 B11R0.4 C=COC(=O)CSCCCOC 62a_100000709357_100000036128 [0,1,0,0,0,0|2,0,1]=4 2422 B11R0.4 C=COC(=O)CSCCOCC 62a_100000036128_100011215890 [0,1,0,0,0,0|2,0,1]=4 2423 B11R0.4 C=COC(=O)CSCCOCC 62a_100000210147_100000036128 [0,1,0,0,0,0|2,0,1]=4 2424 B11R0.4 C=COC(=O)CSCCSCC 62a_100000036128_100000757381 [0,1,0,0,0,0|2,0,1]=4 2425 B11R0.4 C=COC(=O)CSCCSCC 62a_100000757381_100000036128 [0,1,0,0,0,0|2,0,1]=4 2426 B11R0.4 CC#CC(=O)CCCCCC#N 1458a_100000763181_100009813376 [0,1,0,0,0,0|2,0,1]=4 2427 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,1,0,0,0,0|1,0,0]=2 2428 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,1,0,0,0,0|2,0,0]=3 2429 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,1,0,0,0,0|2,0,0]=3 2430 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,1,0,0,0,0|2,0,0]=3 2431 B11R0.4 CC#CC(=O)CCOCCOC 1458a_100000763181_100000695917 [0,1,0,0,0,0|3,0,0]=4 2432 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,1,0,0,0,0|3,0,0]=4 2433 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,1,0,0,0,0|1,0,2]=4 2434 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [0,1,0,0,0,0|1,0,2]=4 2435 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [0,1,0,0,0,0|1,0,2]=4 2436 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [0,1,0,0,0,0|1,0,2]=4 2437 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [0,1,0,0,0,0|1,0,2]=4 2438 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [0,1,0,0,0,0|1,0,2]=4 2439 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,1,0,0,0,0|1,0,2]=4 2440 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,1,0,0,0,0|1,0,2]=4 2441 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,1,0,0,0,0|1,0,2]=4 2442 B11R0.4 CC=CC(=O)CCCCCC#N 1458a_100000210699_100009813376 [0,1,0,0,0,0|2,0,1]=4 2443 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|1,0,0]=2 2444 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,1,0,0,0,0|2,0,0]=3 2445 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,1,0,0,0,0|2,0,0]=3 2446 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,1,0,0,0,0|2,0,0]=3 2447 B11R0.4 CC=CC(=O)CCOCCOC 1458a_100000210699_100000695917 [0,1,0,0,0,0|3,0,0]=4 2448 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,1,0,0,0,0|2,0,0]=3 2449 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,1,0,0,0,0|2,0,0]=3 2450 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,1,0,0,0,0|2,0,0]=3 2451 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,1,0,0,0,0|3,0,0]=4 2452 B11R0.4 CC=CC(=O)NCCCOCC 11a_100000210961_100000210699 [0,1,0,0,0,0|3,0,0]=4 2453 B11R0.4 CC=CC(=O)NCCCOCC 1626a_100000210961_100000210699 [0,1,0,0,0,0|3,0,0]=4 2454 B11R0.4 CC=CC(=O)NCCCOCC 240690a_100000210961_100000210699 [0,1,0,0,0,0|3,0,0]=4 2455 B11R0.4 CC=CC(=O)NCCOCCC 1626a_100161115042_100000210699 [0,1,0,0,0,0|3,0,0]=4 2456 B11R0.4 CC=CC(=O)NCCOCCC 240690a_100161115042_100000210699 [0,1,0,0,0,0|3,0,0]=4 2457 B11R0.4 CC=CC(=O)NCCSCCC 11a_100020603323_100000210699 [0,1,0,0,0,0|3,0,0]=4 2458 B11R0.4 CC=CC(=O)NCCSCCC 240690a_100020603323_100000210699 [0,1,0,0,0,0|3,0,0]=4 2459 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,1,0,0,0,0|3,0,0]=4 2460 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,1,0,0,0,0|1,0,2]=4 2461 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,1,0,0,0,0|1,0,2]=4 2462 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,1,0,0,0,0|1,0,2]=4 2463 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [0,1,0,0,0,0|1,0,2]=4 2464 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [0,1,0,0,0,0|1,0,2]=4 2465 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,1,0,0,0,0|2,0,1]=4 2466 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,0,0,0,0|2,0,0]=3 2467 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,0,0,0,0|2,0,0]=3 2468 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,0,0,0,0|2,0,0]=3 2469 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,0,0,0,0|2,0,0]=3 2470 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,1,0,0,0,0|3,0,0]=4 2471 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,1,0,0,0,0|3,0,0]=4 2472 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,1,0,0,0,0|3,0,0]=4 2473 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,1,0,0,0,0|3,0,0]=4 2474 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,1,0,0,0,0|3,0,0]=4 2475 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,1,0,0,0,0|3,0,0]=4 2476 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,1,0,0,0,0|3,0,0]=4 2477 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,1,0,0,0,0|3,0,0]=4 2478 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,1,0,0,0,0|3,0,0]=4 2479 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,1,0,0,0,0|3,0,0]=4 2480 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,1,0,0,0,0|3,0,0]=4 2481 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,1,0,0,0,0|3,0,0]=4 2482 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,1,0,0,0,0|3,0,0]=4 2483 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,1,0,0,0,0|3,0,0]=4 2484 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,1,0,0,0,0|3,0,0]=4 2485 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,1,0,0,0,0|3,0,0]=4 2486 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,1,0,0,0,0|3,0,0]=4 2487 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,1,0,0,0,0|3,0,0]=4 2488 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,1,0,0,0,0|3,0,0]=4 2489 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,1,0,0,0,0|3,0,0]=4 2490 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,1,0,0,0,0|3,0,0]=4 2491 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,1,0,0,0,0|3,0,0]=4 2492 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,1,0,0,0,0|3,0,0]=4 2493 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,1,0,0,0,0|3,0,0]=4 2494 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,1,0,0,0,0|3,0,0]=4 2495 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,1,0,0,0,0|3,0,0]=4 2496 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,1,0,0,0,0|1,0,2]=4 2497 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,1,0,0,0,0|1,0,2]=4 2498 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,1,0,0,0,0|1,0,2]=4 2499 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 2500 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 2501 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 2502 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,1,0,0,0,0|1,0,2]=4 2503 B11R0.4 CCCCC=NNC(=O)COC 4a_100000216845_100000210104 [0,1,0,0,0,0|2,0,1]=4 2504 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,1,0,0,0,0|1,0,2]=4 2505 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,1,0,0,0,0|1,0,2]=4 2506 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,0,0,0,0|1,0,2]=4 2507 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,1,0,0,0,0|1,0,2]=4 2508 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,1,0,0,0,0|1,0,2]=4 2509 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,1,0,0,0,0|1,0,2]=4 2510 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,1,0,0,0,0|1,0,2]=4 2511 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|1,0,2]=4 2512 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,0,0,0,0|1,0,2]=4 2513 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,0,0,0,0|1,0,2]=4 2514 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,1,0,0,0,0|1,0,2]=4 2515 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,1,0,0,0,0|1,0,1]=3 2516 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,1,0,0,0,0|1,0,1]=3 2517 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,1,0,0,0,0|1,0,1]=3 2518 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,1,0,0,0,0|1,0,1]=3 2519 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,1,0,0,0,0|1,0,1]=3 2520 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|1,0,0]=2 2521 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|1,0,0]=2 2522 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|1,0,0]=2 2523 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|1,0,0]=2 2524 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|1,0,0]=2 2525 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|0,0,0]=1 2526 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|0,1,0]=2 2527 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 2528 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 2529 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 2530 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,1,0,0,0,0|1,0,0]=2 2531 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,1,0,0,0,0|2,0,1]=4 2532 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,1,0,0,0,0|2,0,1]=4 2533 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,1,0,0,0,0|1,0,1]=3 2534 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,1,0,0,0,0|1,0,1]=3 2535 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,1,0,0,0,0|1,0,1]=3 2536 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,1,0,0,0,0|1,0,1]=3 2537 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,1,0,0,0,0|1,0,1]=3 2538 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,1,0,0,0,0|1,1,1]=4 2539 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,1,0,0,0,0|1,1,1]=4 2540 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,1,0,0,0,0|1,1,1]=4 2541 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,1,0,0,0,0|1,1,1]=4 2542 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2543 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,1,0,0,0,0|3,0,0]=4 2544 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2545 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,1,0,0,0,0|3,0,0]=4 2546 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,1,0,0,0,0|3,0,0]=4 2547 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,1,0,0,0,0|3,0,0]=4 2548 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,1,0,0,0,0|3,0,0]=4 2549 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,1,0,0,0,0|3,0,0]=4 2550 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,1,0,0,0,0|3,0,0]=4 2551 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,1,0,0,0,0|3,0,0]=4 2552 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,1,0,0,0,0|2,0,0]=3 2553 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,1,0,0,0,0|2,0,0]=3 2554 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,1,0,0,0,0|2,1,0]=4 2555 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,1,0,0,0,0|2,1,0]=4 2556 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,1,0,0,0,0|2,0,1]=4 2557 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,1,0,0,0,0|2,0,1]=4 2558 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 2559 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 2560 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 2561 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,1,0,0,0,0|2,0,1]=4 2562 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,1,0,0,0,0|2,0,1]=4 2563 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,1,0,0,0,0|2,0,1]=4 2564 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|2,0,0]=3 2565 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|2,0,0]=3 2566 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|2,0,0]=3 2567 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|2,0,0]=3 2568 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|2,0,0]=3 2569 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,0,0,0,0|2,0,0]=3 2570 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,0,0,0,0|2,0,0]=3 2571 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,0,0,0,0|2,0,0]=3 2572 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,0,0,0,0|1,0,0]=2 2573 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,0,0,0,0|1,0,0]=2 2574 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,0,0,0,0|1,0,0]=2 2575 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,0,0,0,0|1,0,0]=2 2576 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,0,0,0,0|1,0,0]=2 2577 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,0,0,0,0|1,1,0]=3 2578 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,0,0,0,0|1,1,0]=3 2579 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,0,0,0,0|1,1,0]=3 2580 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,0,0,0,0|1,1,0]=3 2581 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,0,0,0,0|1,1,0]=3 2582 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,0,0,0,0|1,1,0]=3 2583 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 2584 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 2585 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 2586 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 2587 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 2588 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 2589 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,1,0,0,0,0|2,0,0]=3 2590 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,1,0,0,0,0|2,0,0]=3 2591 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,1,0,0,0,0|2,0,0]=3 2592 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,1,0,0,0,0|2,0,1]=4 2593 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,1,0,0,0,0|2,0,1]=4 2594 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,1,0,0,0,0|2,0,1]=4 2595 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,1,0,0,0,0|2,0,1]=4 2596 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,1,0,0,0,0|2,0,1]=4 2597 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,1,0,0,0,0|2,0,1]=4 2598 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,1,0,0,0,0|2,0,1]=4 2599 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,1,0,0,0,0|2,0,1]=4 2600 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,0,0,0,0|2,0,0]=3 2601 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,1,0,0,0,0|2,0,0]=3 2602 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,1,0,0,0,0|2,0,0]=3 2603 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,1,0,0,0,0|2,0,0]=3 2604 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,1,0,0,0,0|1,0,0]=2 2605 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,1,0,0,0,0|1,0,2]=4 2606 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,1,0,0,0,0|1,0,2]=4 2607 B11R0.4 CCCCCNN=C(C)COC 4a_100000694160_100000749346 [0,1,0,0,0,0|3,0,0]=4 2608 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,1,0,0,0,0|3,0,0]=4 2609 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,0,0,0,0|3,0,0]=4 2610 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,1,0,0,0,0|2,0,0]=3 2611 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,1,0,0,0,0|2,1,0]=4 2612 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,1,0,0,0,0|3,0,0]=4 2613 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,1,0,0,0,0|3,0,0]=4 2614 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,1,0,0,0,0|3,0,0]=4 2615 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,1,0,0,0,0|3,0,0]=4 2616 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,1,0,0,0,0|3,0,0]=4 2617 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,0,0,0,0|2,0,0]=3 2618 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,1,0,0,0,0|2,0,0]=3 2619 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,1,0,0,0,0|2,0,0]=3 2620 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,0,0,0,0|2,0,0]=3 2621 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,0,0,0,0|2,0,0]=3 2622 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,1,0,0,0,0|1,0,0]=2 2623 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,1,0,0,0,0|1,0,0]=2 2624 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,1,0,0,0,0|2,0,1]=4 2625 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,1,0,0,0,0|1,0,2]=4 2626 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,1,0,0,0,0|1,0,2]=4 2627 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,0,0,0,0|2,0,0]=3 2628 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,0,0,0,0|2,0,0]=3 2629 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,1,0,0,0,0|2,0,0]=3 2630 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,1,0,0,0,0|2,0,0]=3 2631 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,1,0,0,0,0|2,0,0]=3 2632 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,1,0,0,0,0|2,0,0]=3 2633 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,1,0,0,0,0|1,0,0]=2 2634 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,1,0,0,0,0|1,0,0]=2 2635 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,1,0,0,0,0|1,0,2]=4 2636 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,1,0,0,0,0|1,0,2]=4 2637 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,1,0,0,0,0|2,0,0]=3 2638 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,1,0,0,0,0|2,0,0]=3 2639 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,1,0,0,0,0|2,0,0]=3 2640 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,1,0,0,0,0|1,0,0]=2 2641 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,1,0,0,0,0|1,0,0]=2 2642 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,1,0,0,0,0|3,0,0]=4 2643 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,1,0,0,0,0|2,0,1]=4 2644 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,1,0,0,0,0|2,0,1]=4 2645 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,1,0,0,0,0|2,0,1]=4 2646 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,1,0,0,0,0|2,0,1]=4 2647 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,1,0,0,0,0|2,0,1]=4 2648 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,1,0,0,0,0|2,0,0]=3 2649 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,1,0,0,0,0|2,0,0]=3 2650 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,1,0,0,0,0|1,0,0]=2 2651 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,1,0,0,0,0|1,1,0]=3 2652 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,1,0,0,0,0|2,0,0]=3 2653 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,1,0,0,0,0|1,0,0]=2 2654 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,1,0,0,0,0|1,0,0]=2 2655 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,1,0,0,0,0|3,0,0]=4 2656 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,1,0,0,0,0|2,0,0]=3 2657 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,1,0,0,0,0|2,0,0]=3 2658 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,1,0,0,0,0|1,0,0]=2 2659 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,1,0,0,0,0|1,0,0]=2 2660 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,1,0,0,0,0|3,0,0]=4 2661 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,1,0,0,0,0|2,0,0]=3 2662 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,1,0,0,0,0|1,0,2]=4 2663 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,0,0,0,0|1,0,0]=2 2664 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,0,0,0,0|1,0,0]=2 2665 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,1,0,0,0,0|3,0,0]=4 2666 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,1,0,0,0,0|3,0,0]=4 2667 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,1,0,0,0,0|3,0,0]=4 2668 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,0,0,0,0|3,0,0]=4 2669 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 2670 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 2671 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 2672 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,1,0,0,0,0|2,1,0]=4 2673 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,1,0,0,0,0|2,1,0]=4 2674 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,1,0,0,0,0|2,1,0]=4 2675 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,1,0,0,0,0|3,0,0]=4 2676 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,1,0,0,0,0|3,0,0]=4 2677 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,1,0,0,0,0|3,0,0]=4 2678 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,1,0,0,0,0|3,0,0]=4 2679 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,1,0,0,0,0|3,0,0]=4 2680 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,1,0,0,0,0|3,0,0]=4 2681 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 2682 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,1,0,0,0,0|3,0,0]=4 2683 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 2684 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,1,0,0,0,0|2,0,0]=3 2685 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,1,0,0,0,0|1,0,2]=4 2686 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,1,0,0,0,0|1,0,2]=4 2687 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,0,0,0,0|1,0,0]=2 2688 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,0,0,0,0|1,0,0]=2 2689 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,1,0,0,0,0|3,0,0]=4 2690 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,1,0,0,0,0|3,0,0]=4 2691 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,1,0,0,0,0|3,0,0]=4 2692 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,0,0,0,0|3,0,0]=4 2693 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 2694 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 2695 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 2696 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,1,0,0,0,0|2,1,0]=4 2697 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,1,0,0,0,0|2,1,0]=4 2698 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,1,0,0,0,0|2,1,0]=4 2699 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,1,0,0,0,0|3,0,0]=4 2700 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,1,0,0,0,0|3,0,0]=4 2701 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,1,0,0,0,0|3,0,0]=4 2702 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,1,0,0,0,0|3,0,0]=4 2703 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,1,0,0,0,0|3,0,0]=4 2704 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,1,0,0,0,0|3,0,0]=4 2705 B11R0.4 CCCSCCNC(=O)NNC 273464a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 2706 B11R0.4 CCCSCCNC(=O)NNC 512a_100016993582_100020603323 [0,1,0,0,0,0|3,0,0]=4 2707 B11R0.4 CCCSCCNC(=O)NNC 512a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 2708 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,1,0,0,0,0|2,0,0]=3 2709 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,0,0,0,0|2,0,0]=3 2710 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 2711 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 2712 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 2713 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,1,0,0,0,0|3,0,0]=4 2714 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,1,0,0,0,0|3,0,0]=4 2715 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,1,0,0,0,0|3,0,0]=4 2716 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,1,0,0,0,0|3,0,0]=4 2717 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,1,0,0,0,0|3,0,0]=4 2718 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [0,1,0,0,0,0|3,0,0]=4 2719 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [0,1,0,0,0,0|3,0,0]=4 2720 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 2721 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 2722 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 2723 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,1,0,0,0,0|3,0,0]=4 2724 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,1,0,0,0,0|3,0,0]=4 2725 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,1,0,0,0,0|3,0,0]=4 2726 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,1,0,0,0,0|3,0,0]=4 2727 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,1,0,0,0,0|3,0,0]=4 2728 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,1,0,0,0,0|3,0,0]=4 2729 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,1,0,0,0,0|3,0,0]=4 2730 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [0,1,0,0,0,0|3,0,0]=4 2731 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [0,1,0,0,0,0|3,0,0]=4 2732 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [0,1,0,0,0,0|3,0,0]=4 2733 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [0,1,0,0,0,0|3,0,0]=4 2734 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,1,0,0,0,0|3,0,0]=4 2735 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,1,0,0,0,0|3,0,0]=4 2736 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,1,0,0,0,0|3,0,0]=4 2737 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,1,0,0,0,0|3,0,0]=4 2738 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,1,0,0,0,0|3,0,0]=4 2739 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,1,0,0,0,0|3,0,0]=4 2740 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,1,0,0,0,0|3,0,0]=4 2741 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,1,0,0,0,0|3,0,0]=4 2742 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,1,0,0,0,0|3,0,0]=4 2743 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,1,0,0,0,0|3,0,0]=4 2744 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,1,0,0,0,0|3,0,0]=4 2745 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,1,0,0,0,0|3,0,0]=4 2746 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,1,0,0,0,0|3,0,0]=4 2747 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,1,0,0,0,0|3,0,0]=4 2748 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,1,0,0,0,0|3,0,0]=4 2749 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,1,0,0,0,0|3,0,0]=4 2750 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,1,0,0,0,0|3,0,0]=4 2751 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,1,0,0,0,0|3,0,0]=4 2752 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,1,0,0,0,0|3,0,0]=4 2753 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,1,0,0,0,0|3,0,0]=4 2754 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,1,0,0,0,0|3,0,0]=4 2755 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,1,0,0,0,0|3,0,0]=4 2756 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,1,0,0,0,0|3,0,0]=4 2757 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,1,0,0,0,0|3,0,0]=4 2758 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,1,0,0,0,0|3,0,0]=4 2759 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,1,0,0,0,0|3,0,0]=4 2760 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,1,0,0,0,0|3,0,0]=4 2761 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,1,0,0,0,0|3,0,0]=4 2762 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,1,0,0,0,0|3,0,0]=4 2763 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,1,0,0,0,0|3,0,0]=4 2764 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,1,0,0,0,0|3,0,0]=4 2765 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,1,0,0,0,0|3,0,0]=4 2766 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,1,0,0,0,0|3,0,0]=4 2767 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,1,0,0,0,0|3,0,0]=4 2768 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,1,0,0,0,0|3,0,0]=4 2769 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,1,0,0,0,0|3,0,0]=4 2770 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,1,0,0,0,0|3,0,0]=4 2771 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,1,0,0,0,0|3,0,0]=4 2772 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,1,0,0,0,0|3,0,0]=4 2773 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,1,0,0,0,0|3,0,0]=4 2774 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,1,0,0,0,0|3,0,0]=4 2775 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,1,0,0,0,0|3,0,0]=4 2776 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,1,0,0,0,0|3,0,0]=4 2777 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,1,0,0,0,0|3,0,0]=4 2778 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,1,0,0,0,0|3,0,0]=4 2779 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,1,0,0,0,0|3,0,0]=4 2780 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,1,0,0,0,0|3,0,0]=4 2781 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,1,0,0,0,0|3,0,0]=4 2782 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,0,0,0,0|1,0,0]=2 2783 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,1,0,0,0,0|2,0,0]=3 2784 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,1,0,0,0,0|1,0,0]=2 2785 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,1,0,0,0,0|1,0,0]=2 2786 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,1,0,0,0,0|1,0,0]=2 2787 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,1,0,0,0,0|1,0,0]=2 2788 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,1,0,0,0,0|1,0,0]=2 2789 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,1,0,0,0,0|1,0,0]=2 2790 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,1,0,0,0,0|1,0,0]=2 2791 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,1,0,0,0,0|1,0,0]=2 2792 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,1,0,0,0,0|1,0,0]=2 2793 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,1,0,0,0,0|1,0,0]=2 2794 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,0,0,0,0|1,0,0]=2 2795 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,0,0,0,0|1,0,0]=2 2796 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,1,0,0,0,0|2,0,0]=3 2797 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,1,0,0,0,0|2,0,0]=3 2798 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,1,0,0,0,0|2,0,0]=3 2799 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,1,0,0,0,0|2,0,0]=3 2800 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,1,0,0,0,0|2,0,0]=3 2801 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [0,1,0,0,0,0|2,0,1]=4 2802 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,1,0,0,0,0|2,0,1]=4 2803 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,1,0,0,0,0|2,0,0]=3 2804 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,1,0,0,0,0|2,0,0]=3 2805 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,1,0,0,0,0|2,0,0]=3 2806 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,1,0,0,0,0|2,0,0]=3 2807 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [0,1,0,0,0,0|2,0,1]=4 2808 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [0,1,0,0,0,0|2,0,1]=4 2809 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,1,0,0,0,0|2,0,1]=4 2810 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,1,0,0,0,0|2,0,1]=4 2811 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,1,0,0,0,0|2,0,0]=3 2812 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,1,0,0,0,0|2,0,0]=3 2813 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,1,0,0,0,0|2,0,0]=3 2814 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,1,0,0,0,0|2,0,0]=3 2815 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,1,0,0,0,0|2,0,0]=3 2816 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,1,0,0,0,0|2,0,0]=3 2817 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,1,0,0,0,0|2,0,0]=3 2818 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,1,0,0,0,0|2,0,0]=3 2819 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,1,0,0,0,0|2,0,0]=3 2820 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,1,0,0,0,0|2,0,0]=3 2821 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,1,0,0,0,0|2,0,0]=3 2822 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,1,0,0,0,0|2,0,0]=3 2823 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,1,0,0,0,0|2,0,0]=3 2824 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,1,0,0,0,0|2,0,0]=3 2825 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,1,0,0,0,0|2,0,0]=3 2826 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,1,0,0,0,0|2,0,0]=3 2827 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,1,0,0,0,0|2,0,0]=3 2828 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,1,0,0,0,0|3,0,0]=4 2829 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,1,0,0,0,0|2,0,0]=3 2830 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,1,0,0,0,0|2,0,0]=3 2831 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [0,1,0,0,0,0|2,0,1]=4 2832 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [0,1,0,0,0,0|2,0,1]=4 2833 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,1,0,0,0,0|2,0,0]=3 2834 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,1,0,0,0,0|2,0,0]=3 2835 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,1,0,0,0,0|2,0,0]=3 2836 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,1,0,0,0,0|2,0,0]=3 2837 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,1,0,0,0,0|2,0,0]=3 2838 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,1,0,0,0,0|2,0,0]=3 2839 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,1,0,0,0,0|2,0,0]=3 2840 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,1,0,0,0,0|2,0,0]=3 2841 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,1,0,0,0,0|2,0,0]=3 2842 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,1,0,0,0,0|2,0,0]=3 2843 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,1,0,0,0,0|2,0,0]=3 2844 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,1,0,0,0,0|2,0,0]=3 2845 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,1,0,0,0,0|2,0,0]=3 2846 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,1,0,0,0,0|2,0,0]=3 2847 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,1,0,0,0,0|2,0,0]=3 2848 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,1,0,0,0,0|2,0,0]=3 2849 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,1,0,0,0,0|2,0,0]=3 2850 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,1,0,0,0,0|2,0,0]=3 2851 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,1,0,0,0,0|2,0,0]=3 2852 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,1,0,0,0,0|2,0,0]=3 2853 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,1,0,0,0,0|2,0,0]=3 2854 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 2855 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,1,0,0,0,0|2,0,0]=3 2856 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,1,0,0,0,0|2,0,0]=3 2857 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,1,0,0,0,0|2,0,0]=3 2858 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,1,0,0,0,0|2,0,0]=3 2859 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,1,0,0,0,0|2,0,0]=3 2860 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,1,0,0,0,0|2,0,0]=3 2861 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,1,0,0,0,0|2,0,0]=3 2862 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,1,0,0,0,0|2,0,0]=3 2863 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,1,0,0,0,0|2,0,0]=3 2864 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,1,0,0,0,0|2,0,0]=3 2865 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,1,0,0,0,0|2,0,0]=3 2866 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,1,0,0,0,0|2,0,0]=3 2867 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,1,0,0,0,0|2,0,0]=3 2868 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,1,0,0,0,0|2,0,0]=3 2869 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,1,0,0,0,0|3,0,0]=4 2870 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,1,0,0,0,0|3,0,0]=4 2871 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,1,0,0,0,0|2,0,1]=4 2872 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,1,0,0,0,0|2,0,1]=4 2873 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,1,0,0,0,0|2,0,1]=4 2874 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,1,0,0,0,0|2,0,1]=4 2875 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,1,0,0,0,0|2,0,0]=3 2876 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,1,0,0,0,0|2,0,0]=3 2877 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,1,0,0,0,0|2,0,0]=3 2878 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,1,0,0,0,0|2,0,0]=3 2879 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,1,0,0,0,0|2,0,0]=3 2880 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,1,0,0,0,0|2,0,0]=3 2881 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,1,0,0,0,0|3,0,0]=4 2882 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,1,0,0,0,0|2,0,0]=3 2883 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,1,0,0,0,0|2,0,0]=3 2884 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,1,0,0,0,0|3,0,0]=4 2885 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,1,0,0,0,0|3,0,0]=4 2886 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,1,0,0,0,0|3,0,0]=4 2887 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,1,0,0,0,0|3,0,0]=4 2888 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,1,0,0,0,0|3,0,0]=4 2889 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,1,0,0,0,0|3,0,0]=4 2890 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,1,0,0,0,0|3,0,0]=4 2891 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,1,0,0,0,0|3,0,0]=4 2892 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,1,0,0,0,0|3,0,0]=4 2893 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,1,0,0,0,0|3,0,0]=4 2894 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,1,0,0,0,0|3,0,0]=4 2895 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,0,0,0,0|1,0,0]=2 2896 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,1,0,0,0,0|3,0,0]=4 2897 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 2898 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 2899 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 2900 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 2901 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,1,0,0,0,0|2,1,0]=4 2902 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,1,0,0,0,0|2,1,0]=4 2903 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,1,0,0,0,0|2,1,0]=4 2904 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,1,0,0,0,0|2,1,0]=4 2905 B11R0.4 CCOCCCNC(=O)NNC 273464a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 2906 B11R0.4 CCOCCCNC(=O)NNC 512a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 2907 B11R0.4 CCOCCCNC(=O)NNC 512a_100016993582_100000210961 [0,1,0,0,0,0|3,0,0]=4 2908 B11R0.4 CCOCCNCC(=O)NCO 2230a_102516460346_100000185155 [0,1,0,0,0,0|3,0,0]=4 2909 B11R0.4 CCOCCNCC(=O)NCO 34a_102516460346_100000185155 [0,1,0,0,0,0|3,0,0]=4 2910 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,1,0,0,0,0|2,0,0]=3 2911 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,1,0,0,0,0|2,0,0]=3 2912 B11R0.4 CCOCCNNC(=O)COC 22a_100000732670_100000210968 [0,1,0,0,0,0|3,0,0]=4 2913 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,1,0,0,0,0|3,0,0]=4 2914 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,1,0,0,0,0|3,0,0]=4 2915 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,1,0,0,0,0|2,0,0]=3 2916 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,1,0,0,0,0|2,0,0]=3 2917 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,1,0,0,0,0|2,0,0]=3 2918 B11R0.4 CCOCCSCC(=O)NCO 62a_100000185155_100011215890 [0,1,0,0,0,0|3,0,0]=4 2919 B11R0.4 CCOCCSCC(=O)NCO 62a_100000210147_100000185155 [0,1,0,0,0,0|3,0,0]=4 2920 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,1,0,0,0,0|2,0,0]=3 2921 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,1,0,0,0,0|2,0,0]=3 2922 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,1,0,0,0,0|2,0,0]=3 2923 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,1,0,0,0,0|2,0,0]=3 2924 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,1,0,0,0,0|2,0,0]=3 2925 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,1,0,0,0,0|3,0,0]=4 2926 B11R0.4 CCSCCNCC(=O)NCO 2230a_100000106463_100000185155 [0,1,0,0,0,0|3,0,0]=4 2927 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,1,0,0,0,0|3,0,0]=4 2928 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,1,0,0,0,0|3,0,0]=4 2929 B11R0.4 CCSCCSCC(=O)NCO 62a_100000185155_100000757381 [0,1,0,0,0,0|3,0,0]=4 2930 B11R0.4 CCSCCSCC(=O)NCO 62a_100000757381_100000185155 [0,1,0,0,0,0|3,0,0]=4 2931 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,1,0,0,0,0|3,0,0]=4 2932 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,1,0,0,0,0|2,0,0]=3 2933 B11R0.4 CNNC(=O)CCOCCOC 22a_100016993582_100000745395 [0,1,0,0,0,0|3,0,0]=4 2934 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 2935 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 2936 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,1,0,0,0,0|3,0,0]=4 2937 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,1,0,0,0,0|1,0,1]=3 2938 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,0,0,0,0|1,0,0]=2 2939 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,0,0,0,0|1,0,0]=2 2940 B11R0.4 COCC(=O)NCCCCC#N 11a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 2941 B11R0.4 COCC(=O)NCCCCC#N 1626a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 2942 B11R0.4 COCC(=O)NCCCCC#N 240690a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 2943 B11R0.4 COCC(=O)NCCCCC#N 527a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 2944 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,0,0,0,0|2,0,0]=3 2945 B11R0.4 COCC(=O)NCCOCCO 240690a_100000211614_100000210968 [0,1,0,0,0,0|3,0,0]=4 2946 B11R0.4 COCC(=O)NCCSCCO 240690a_100011219999_100000210968 [0,1,0,0,0,0|3,0,0]=4 2947 B11R0.4 COCC(=O)NCCSCCO 527a_100011219999_100000210968 [0,1,0,0,0,0|3,0,0]=4 2948 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,1,0,0,0,0|2,0,1]=4 2949 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,1,0,0,0,0|2,0,0]=3 2950 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,1,0,0,0,0|2,0,0]=3 2951 B11R0.4 COCCCNCC(=O)NCO 34a_100150723488_100000185155 [0,1,0,0,0,0|3,0,0]=4 2952 B11R0.4 COCCCNNC(=O)COC 22a_100025702787_100000210968 [0,1,0,0,0,0|3,0,0]=4 2953 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,1,0,0,0,0|3,0,0]=4 2954 B11R0.4 COCCCSCC(=O)NCO 62a_100000185155_100000709357 [0,1,0,0,0,0|3,0,0]=4 2955 B11R0.4 COCCCSCC(=O)NCO 62a_100000709357_100000185155 [0,1,0,0,0,0|3,0,0]=4 2956 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,1,0,0,0,0|3,0,0]=4 2957 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,1,0,0,0,0|3,0,0]=4 2958 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,1,0,0,0,0|3,0,0]=4 2959 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,1,0,0,0,0|2,0,0]=3 2960 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [0,1,0,0,0,0|2,1,0]=4 2961 B11R0.4 CSCC(=O)CCCCCC#N 1458a_100000184570_100009813376 [0,1,0,0,0,0|1,1,1]=4 2962 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,0,0,0,0|1,1,0]=3 2963 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,0,0,0,0|1,1,0]=3 2964 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,1,0,0,0,0|2,1,0]=4 2965 B11R0.4 CSCCCNCC(=O)NCO 2230a_100000749238_100000185155 [0,1,0,0,0,0|3,0,0]=4 2966 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,1,0,0,0,0|3,0,0]=4 2967 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,1,0,0,0,0|3,0,0]=4 2968 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,1,0,0,0,0|2,0,1]=4 2969 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,1,0,0,0,0|2,0,1]=4 2970 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,1,0,0,0,0|2,0,1]=4 2971 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,1,0,0,0,0|2,0,1]=4 2972 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 2973 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,1,0,0,0,0|2,0,1]=4 2974 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,1,0,0,0,0|2,0,1]=4 2975 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,1,0,0,0,0|2,0,1]=4 2976 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,1,0,0,0,0|2,0,1]=4 2977 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,1,0,0,0,0|2,0,1]=4 2978 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,1,0,0,0,0|2,0,1]=4 2979 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,0,0,0,0|2,0,0]=3 2980 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,0,0,0,0|2,0,0]=3 2981 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,0,0,0,0|2,0,0]=3 2982 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,0,0,0,0|2,0,0]=3 2983 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,1,0,0,0,0|3,0,0]=4 2984 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 2985 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 2986 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,1,0,0,0,0|3,0,0]=4 2987 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 2988 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 2989 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,1,0,0,0,0|3,0,0]=4 2990 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,1,0,0,0,0|3,0,0]=4 2991 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,1,0,0,0,0|3,0,0]=4 2992 B11R0.4 O=C(CSCCCCF)NCO 62a_100000185155_100000729493 [0,1,0,0,0,0|3,0,0]=4 2993 B11R0.4 O=C(CSCCCCF)NCO 62a_100000729493_100000185155 [0,1,0,0,0,0|3,0,0]=4 2994 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,1,0,0,0,0|3,0,0]=4 2995 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 2996 B11R0.40 C#CC(=O)CC#CCCCCC 1458a_100000211873_100009816472 [0,1,0,0,0,0|1,0,2]=4 2997 B11R0.40 C#CC(=O)CCCCCCC#N 1458a_100000211873_100009813337 [0,1,0,0,0,0|1,0,2]=4 2998 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,1,0,0,0,0|1,0,2]=4 2999 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,0,0,0,0|1,0,1]=3 3000 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,1,0,0,0,0|1,0,1]=3 3001 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,1,0,0,0,0|1,0,1]=3 3002 B11R0.40 C#CC(=O)CCCOCCOC 1458a_100000211873_100011216529 [0,1,0,0,0,0|2,0,1]=4 3003 B11R0.40 C#CC(=O)CCOCCOCC 1458a_100000211873_100011211534 [0,1,0,0,0,0|2,0,1]=4 3004 B11R0.40 C#CCCCCCCC(=O)C#C 1458a_100000211873_100012276617 [0,1,0,0,0,0|1,0,2]=4 3005 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,1,0,0,0,0|1,0,2]=4 3006 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,0,0,0,0|1,0,1]=3 3007 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,0,0,0,0|1,0,1]=3 3008 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,1,0,0,0,0|2,0,1]=4 3009 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,1,0,0,0,0|2,0,1]=4 3010 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,1,0,0,0,0|1,0,1]=3 3011 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 3012 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 3013 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 3014 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000693194_100010269958 [0,1,0,0,0,0|1,0,2]=4 3015 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000706060_100000183359 [0,1,0,0,0,0|1,0,2]=4 3016 B11R0.40 C#CCCCCNCC(=O)NC 34a_100000706060_100000183359 [0,1,0,0,0,0|1,0,2]=4 3017 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,1,0,0,0,0|0,0,2]=3 3018 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,1,0,0,0,0|0,0,2]=3 3019 B11R0.40 C#CCCCCOCC(=O)CC 34a_100000725409_100010269958 [0,1,0,0,0,0|1,0,2]=4 3020 B11R0.40 C#CCCCCOCC(=O)CC 7a_100000766709_100000747405 [0,1,0,0,0,0|1,0,2]=4 3021 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000750040_100010269958 [0,1,0,0,0,0|1,0,2]=4 3022 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000766709_100000183359 [0,1,0,0,0,0|1,0,2]=4 3023 B11R0.40 C#CCCCCOCC(=O)NC 7a_100000766709_100000183359 [0,1,0,0,0,0|1,0,2]=4 3024 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,1,0,0,0,0|0,0,2]=3 3025 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,1,0,0,0,0|0,0,2]=3 3026 B11R0.40 C#CCCCCSCC(=O)CC 62a_100000747405_100010269958 [0,1,0,0,0,0|1,0,2]=4 3027 B11R0.40 C#CCCCCSCC(=O)CC 62a_100010269958_100000747405 [0,1,0,0,0,0|1,0,2]=4 3028 B11R0.40 C#CCCCCSCC(=O)NC 62a_100000183359_100010269958 [0,1,0,0,0,0|1,0,2]=4 3029 B11R0.40 C#CCCCCSCC(=O)NC 62a_100010269958_100000183359 [0,1,0,0,0,0|1,0,2]=4 3030 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,1,0,0,0,0|0,0,2]=3 3031 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,1,0,0,0,0|0,0,2]=3 3032 B11R0.40 C#CCCCNCCC(=O)NC 2230a_100000738227_100000731252 [0,1,0,0,0,0|1,0,2]=4 3033 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000718082_100012179268 [0,1,0,0,0,0|1,0,2]=4 3034 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000738227_100000695029 [0,1,0,0,0,0|1,0,2]=4 3035 B11R0.40 C#CCCCNCCC(=O)OC 34a_100000718082_100000742370 [0,1,0,0,0,0|0,0,2]=3 3036 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000215630_100012179268 [0,1,0,0,0,0|1,0,2]=4 3037 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000754576_100000695029 [0,1,0,0,0,0|1,0,2]=4 3038 B11R0.40 C#CCCCOCCC(=O)NC 7a_100000215630_100000737683 [0,1,0,0,0,0|1,0,2]=4 3039 B11R0.40 C#CCCCOCCC(=O)OC 34a_100000215630_100000742370 [0,1,0,0,0,0|0,0,2]=3 3040 B11R0.40 C#CCCCOCCC(=O)OC 7a_100000215630_100000204255 [0,1,0,0,0,0|0,0,2]=3 3041 B11R0.40 C#CCCCSCCC(=O)NC 62a_100000737683_100011215417 [0,1,0,0,0,0|1,0,2]=4 3042 B11R0.40 C#CCCCSCCC(=O)NC 62a_100011215417_100000737683 [0,1,0,0,0,0|1,0,2]=4 3043 B11R0.40 C#CCCCSCCC(=O)OC 62a_100000204255_100011215417 [0,1,0,0,0,0|0,0,2]=3 3044 B11R0.40 C#CCCCSCCC(=O)OC 62a_100011215417_100000204255 [0,1,0,0,0,0|0,0,2]=3 3045 B11R0.40 C#CCCCSCOC(=O)OC 62a_100011215417_100000139417 [0,1,0,0,0,0|1,0,2]=4 3046 B11R0.40 C#CCCNCCCC(=O)NC 2230a_100000740002_100000688953 [0,1,0,0,0,0|1,0,2]=4 3047 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000740002_100000688953 [0,1,0,0,0,0|1,0,2]=4 3048 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000755551_100000741757 [0,1,0,0,0,0|1,0,2]=4 3049 B11R0.40 C#CCCNCCCC(=O)OC 34a_100000755551_100000742333 [0,1,0,0,0,0|0,0,2]=3 3050 B11R0.40 C#CCCOCCCC(=O)NC 34a_100011215631_100000741757 [0,1,0,0,0,0|1,0,2]=4 3051 B11R0.40 C#CCCOCCCC(=O)OC 34a_100011215631_100000742333 [0,1,0,0,0,0|0,0,2]=3 3052 B11R0.40 C#CCCOCCNC(=O)OC 34a_100000757965_100000688953 [0,1,0,0,0,0|1,0,2]=4 3053 B11R0.40 C#CCCOCCOC(=O)OC 34a_100010262106_100000688953 [0,1,0,0,0,0|1,0,2]=4 3054 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000688953_100000741757 [0,1,0,0,0,0|1,0,2]=4 3055 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000741757_100000688953 [0,1,0,0,0,0|1,0,2]=4 3056 B11R0.40 C#CCCSCCCC(=O)OC 62a_100000688953_100011218270 [0,1,0,0,0,0|0,0,2]=3 3057 B11R0.40 C#CCCSCCCC(=O)OC 62a_100011218270_100000688953 [0,1,0,0,0,0|0,0,2]=3 3058 B11R0.40 C#CCNCCCCC(=O)OC 34a_100000212058_100000204269 [0,1,0,0,0,0|0,0,2]=3 3059 B11R0.40 C#CCNCCOCC(=O)OC 34a_100000212058_100000090808 [0,1,0,0,0,0|1,0,2]=4 3060 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000059025_100000184674 [0,1,0,0,0,0|0,0,2]=3 3061 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000210247_100000204269 [0,1,0,0,0,0|0,0,2]=3 3062 B11R0.40 C#CCOCCCCC(=O)OC 7a_100000059025_100000038162 [0,1,0,0,0,0|0,0,2]=3 3063 B11R0.40 C#CCOCCNCC(=O)OC 2230a_100000700922_100000747449 [0,1,0,0,0,0|1,0,2]=4 3064 B11R0.40 C#CCOCCNCC(=O)OC 34a_100000700922_100000747449 [0,1,0,0,0,0|1,0,2]=4 3065 B11R0.40 C#CCOCCOCC(=O)OC 34a_100000054580_100000747449 [0,1,0,0,0,0|1,0,2]=4 3066 B11R0.40 C#CCOCCOCC(=O)OC 34a_100000210247_100000090808 [0,1,0,0,0,0|1,0,2]=4 3067 B11R0.40 C#CCOCCOCC(=O)OC 7a_100000054580_100000747449 [0,1,0,0,0,0|1,0,2]=4 3068 B11R0.40 C#CCOCCSCC(=O)OC 62a_100000747449_100010402529 [0,1,0,0,0,0|1,0,2]=4 3069 B11R0.40 C#CCOCCSCC(=O)OC 62a_100010402529_100000747449 [0,1,0,0,0,0|1,0,2]=4 3070 B11R0.40 C#CCSCCCCC(=O)OC 62a_100000038162_100000204269 [0,1,0,0,0,0|0,0,2]=3 3071 B11R0.40 C#CCSCCOCC(=O)OC 62a_100000038162_100000090808 [0,1,0,0,0,0|1,0,2]=4 3072 B11R0.40 C/C=C/CCOCCC(=O)NC 34a_100016278192_100012179268 [0,1,0,0,0,0|1,0,2]=4 3073 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [0,1,0,0,0,0|0,0,2]=3 3074 B11R0.40 C/C=C/CNCCCC(=O)NC 34a_100000740002_100102629194 [0,1,0,0,0,0|1,0,2]=4 3075 B11R0.40 C/C=C/COCCCC(=O)NC 34a_100016270725_100000741757 [0,1,0,0,0,0|1,0,2]=4 3076 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [0,1,0,0,0,0|0,0,2]=3 3077 B11R0.40 C/C=C/COCCNC(=O)OC 34a_100000757965_100102629194 [0,1,0,0,0,0|1,0,2]=4 3078 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [0,1,0,0,0,0|1,0,2]=4 3079 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100000741757_100102629194 [0,1,0,0,0,0|1,0,2]=4 3080 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100102629194_100000741757 [0,1,0,0,0,0|1,0,2]=4 3081 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [0,1,0,0,0,0|0,0,2]=3 3082 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [0,1,0,0,0,0|0,0,2]=3 3083 B11R0.40 C=C(C#N)CNCCCCCC 2230a_100000210581_100000694840 [0,1,0,0,0,0|3,0,0]=4 3084 B11R0.40 C=C(C#N)COCCCCCC 34a_100000210259_100000694840 [0,1,0,0,0,0|3,0,0]=4 3085 B11R0.40 C=C(C#N)CSCCCCCC 62a_100000210314_100000694840 [0,1,0,0,0,0|3,0,0]=4 3086 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,1,0,0,0,0|1,0,2]=4 3087 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,1,0,0,0,0|1,0,2]=4 3088 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|1,0,1]=3 3089 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,0,0,0,0|1,0,1]=3 3090 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,1,0,0,0,0|1,0,1]=3 3091 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,1,0,0,0,0|2,0,1]=4 3092 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,1,0,0,0,0|2,0,1]=4 3093 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,0,0,0,0|1,0,1]=3 3094 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,0,0,0,0|1,0,1]=3 3095 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,1,0,0,0,0|2,0,1]=4 3096 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,1,0,0,0,0|2,0,1]=4 3097 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,1,0,0,0,0|2,0,1]=4 3098 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,1,0,0,0,0|2,0,1]=4 3099 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,1,0,0,0,0|2,0,1]=4 3100 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,1,0,0,0,0|2,0,1]=4 3101 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,1,0,0,0,0|2,0,1]=4 3102 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,1,0,0,0,0|2,0,1]=4 3103 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,1,0,0,0,0|2,0,1]=4 3104 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,1,0,0,0,0|2,0,1]=4 3105 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,1,0,0,0,0|2,0,1]=4 3106 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,1,0,0,0,0|2,0,1]=4 3107 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,1,0,0,0,0|2,0,1]=4 3108 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,1,0,0,0,0|2,0,1]=4 3109 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,1,0,0,0,0|2,0,1]=4 3110 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,1,0,0,0,0|2,0,1]=4 3111 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,1,0,0,0,0|2,0,1]=4 3112 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,1,0,0,0,0|2,0,1]=4 3113 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,1,0,0,0,0|1,0,2]=4 3114 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,0,0,0,0|1,0,1]=3 3115 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,0,0,0,0|1,0,1]=3 3116 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,1,0,0,0,0|2,0,1]=4 3117 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,1,0,0,0,0|2,0,1]=4 3118 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,1,0,0,0,0|1,0,1]=3 3119 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 3120 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 3121 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 3122 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000693194_100011215482 [0,1,0,0,0,0|1,0,2]=4 3123 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000703577_100000183359 [0,1,0,0,0,0|1,0,2]=4 3124 B11R0.40 C=CCCCCNCC(=O)NC 34a_100000703577_100000183359 [0,1,0,0,0,0|1,0,2]=4 3125 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,1,0,0,0,0|0,0,2]=3 3126 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,1,0,0,0,0|0,0,2]=3 3127 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,1,0,0,0,0|1,0,2]=4 3128 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,1,0,0,0,0|1,0,2]=4 3129 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000750040_100011215482 [0,1,0,0,0,0|1,0,2]=4 3130 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000766645_100000183359 [0,1,0,0,0,0|1,0,2]=4 3131 B11R0.40 C=CCCCCOCC(=O)NC 7a_100000766645_100000183359 [0,1,0,0,0,0|1,0,2]=4 3132 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,1,0,0,0,0|0,0,2]=3 3133 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,1,0,0,0,0|0,0,2]=3 3134 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [0,1,0,0,0,0|1,0,2]=4 3135 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [0,1,0,0,0,0|1,0,2]=4 3136 B11R0.40 C=CCCCCSCC(=O)NC 62a_100000183359_100011215482 [0,1,0,0,0,0|1,0,2]=4 3137 B11R0.40 C=CCCCCSCC(=O)NC 62a_100011215482_100000183359 [0,1,0,0,0,0|1,0,2]=4 3138 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,1,0,0,0,0|0,0,2]=3 3139 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,1,0,0,0,0|0,0,2]=3 3140 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000700776_100000737683 [0,1,0,0,0,0|1,0,2]=4 3141 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000738227_100011713584 [0,1,0,0,0,0|1,0,2]=4 3142 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000700776_100012179268 [0,1,0,0,0,0|1,0,2]=4 3143 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000738227_100000757094 [0,1,0,0,0,0|1,0,2]=4 3144 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [0,1,0,0,0,0|0,0,2]=3 3145 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [0,1,0,0,0,0|0,0,2]=3 3146 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000754576_100000757094 [0,1,0,0,0,0|1,0,2]=4 3147 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000758997_100012179268 [0,1,0,0,0,0|1,0,2]=4 3148 B11R0.40 C=CCCCOCCC(=O)NC 7a_100000758997_100000737683 [0,1,0,0,0,0|1,0,2]=4 3149 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [0,1,0,0,0,0|0,0,2]=3 3150 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [0,1,0,0,0,0|0,0,2]=3 3151 B11R0.40 C=CCCCSCCC(=O)NC 62a_100000737683_100000757094 [0,1,0,0,0,0|1,0,2]=4 3152 B11R0.40 C=CCCCSCCC(=O)NC 62a_100011713584_100000737683 [0,1,0,0,0,0|1,0,2]=4 3153 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [0,1,0,0,0,0|0,0,2]=3 3154 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [0,1,0,0,0,0|0,0,2]=3 3155 B11R0.40 C=CCCCSCOC(=O)OC 62a_100011713584_100000139417 [0,1,0,0,0,0|1,0,2]=4 3156 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100000740002_100000754431 [0,1,0,0,0,0|1,0,2]=4 3157 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100015191253_100000741757 [0,1,0,0,0,0|1,0,2]=4 3158 B11R0.40 C=CCCNCCCC(=O)NC 34a_100000740002_100000754431 [0,1,0,0,0,0|1,0,2]=4 3159 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [0,1,0,0,0,0|0,0,2]=3 3160 B11R0.40 C=CCCOCCCC(=O)NC 34a_100011205117_100000741757 [0,1,0,0,0,0|1,0,2]=4 3161 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [0,1,0,0,0,0|0,0,2]=3 3162 B11R0.40 C=CCCOCCNC(=O)OC 34a_100000757965_100000754431 [0,1,0,0,0,0|1,0,2]=4 3163 B11R0.40 C=CCCOCCOC(=O)OC 34a_100010262106_100000754431 [0,1,0,0,0,0|1,0,2]=4 3164 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000741757_100000754431 [0,1,0,0,0,0|1,0,2]=4 3165 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000754431_100000741757 [0,1,0,0,0,0|1,0,2]=4 3166 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [0,1,0,0,0,0|0,0,2]=3 3167 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [0,1,0,0,0,0|0,0,2]=3 3168 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [0,1,0,0,0,0|0,0,2]=3 3169 B11R0.40 C=CCNCCOCC(=O)OC 2230a_100020586998_100000090808 [0,1,0,0,0,0|1,0,2]=4 3170 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [0,1,0,0,0,0|0,0,2]=3 3171 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [0,1,0,0,0,0|0,0,2]=3 3172 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [0,1,0,0,0,0|0,0,2]=3 3173 B11R0.40 C=CCOCCOCC(=O)OC 34a_100000037705_100000747449 [0,1,0,0,0,0|1,0,2]=4 3174 B11R0.40 C=CCOCCOCC(=O)OC 34a_200000210373_100000090808 [0,1,0,0,0,0|1,0,2]=4 3175 B11R0.40 C=CCOCCOCC(=O)OC 7a_100000037705_100000747449 [0,1,0,0,0,0|1,0,2]=4 3176 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [0,1,0,0,0,0|0,0,2]=3 3177 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [0,1,0,0,0,0|0,0,2]=3 3178 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000090808_100000210623 [0,1,0,0,0,0|1,0,2]=4 3179 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000210623_100000090808 [0,1,0,0,0,0|1,0,2]=4 3180 B11R0.40 C=COCCCNCC(=O)OC 2230a_100000210767_100000747449 [0,1,0,0,0,0|1,0,2]=4 3181 B11R0.40 C=COCCCNCC(=O)OC 34a_100000210767_100000747449 [0,1,0,0,0,0|1,0,2]=4 3182 B11R0.40 C=COCCOCCC(=O)OC 34a_100000033082_100000742370 [0,1,0,0,0,0|1,0,2]=4 3183 B11R0.40 C=COCCSCCC(=O)OC 62a_100000039644_100000204255 [0,1,0,0,0,0|1,0,2]=4 3184 B11R0.40 C=COCCSCCC(=O)OC 62a_100000204255_100000039644 [0,1,0,0,0,0|1,0,2]=4 3185 B11R0.40 CC#CCCOCCC(=O)NC 34a_100000750427_100012179268 [0,1,0,0,0,0|1,0,2]=4 3186 B11R0.40 CC#CCCOCCC(=O)OC 34a_100000750427_100000742370 [0,1,0,0,0,0|0,0,2]=3 3187 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000685387_100000741757 [0,1,0,0,0,0|1,0,2]=4 3188 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000740002_100000748600 [0,1,0,0,0,0|1,0,2]=4 3189 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000685387_100000741757 [0,1,0,0,0,0|1,0,2]=4 3190 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000740002_100000748600 [0,1,0,0,0,0|1,0,2]=4 3191 B11R0.40 CC#CCNCCCC(=O)OC 2230a_100000685387_100011218270 [0,1,0,0,0,0|0,0,2]=3 3192 B11R0.40 CC#CCNCCCC(=O)OC 34a_100000685387_100000742333 [0,1,0,0,0,0|0,0,2]=3 3193 B11R0.40 CC#CCOCCCC(=O)NC 34a_100000761923_100000741757 [0,1,0,0,0,0|1,0,2]=4 3194 B11R0.40 CC#CCOCCCC(=O)OC 34a_100000761923_100000742333 [0,1,0,0,0,0|0,0,2]=3 3195 B11R0.40 CC#CCOCCNC(=O)OC 34a_100000757965_100000748600 [0,1,0,0,0,0|1,0,2]=4 3196 B11R0.40 CC#CCOCCOC(=O)OC 34a_100010262106_100000748600 [0,1,0,0,0,0|1,0,2]=4 3197 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000741757_100000748600 [0,1,0,0,0,0|1,0,2]=4 3198 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000748600_100000741757 [0,1,0,0,0,0|1,0,2]=4 3199 B11R0.40 CC#CCSCCCC(=O)OC 62a_100000748600_100011218270 [0,1,0,0,0,0|0,0,2]=3 3200 B11R0.40 CC#CCSCCCC(=O)OC 62a_100011218270_100000748600 [0,1,0,0,0,0|0,0,2]=3 3201 B11R0.40 CC/C=C\CCNCC(=O)NC 2230a_100000693194_100015370543 [0,1,0,0,0,0|1,0,2]=4 3202 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,1,0,0,0,0|1,0,2]=4 3203 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,1,0,0,0,0|1,0,2]=4 3204 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,1,0,0,0,0|1,0,2]=4 3205 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,1,0,0,0,0|1,0,2]=4 3206 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,1,0,0,0,0|1,0,2]=4 3207 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,1,0,0,0,0|0,0,2]=3 3208 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,1,0,0,0,0|0,0,2]=3 3209 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [0,1,0,0,0,0|1,0,2]=4 3210 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [0,1,0,0,0,0|1,0,2]=4 3211 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100000183359_100015370543 [0,1,0,0,0,0|1,0,2]=4 3212 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100015370543_100000183359 [0,1,0,0,0,0|1,0,2]=4 3213 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,1,0,0,0,0|0,0,2]=3 3214 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,1,0,0,0,0|0,0,2]=3 3215 B11R0.40 CC/C=C\CNCCC(=O)NC 2230a_100000738227_100103147603 [0,1,0,0,0,0|1,0,2]=4 3216 B11R0.40 CC/C=C\CNCCC(=O)NC 34a_100000738227_100103147603 [0,1,0,0,0,0|1,0,2]=4 3217 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100000754576_100103147603 [0,1,0,0,0,0|1,0,2]=4 3218 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100016268518_100012179268 [0,1,0,0,0,0|1,0,2]=4 3219 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,1,0,0,0,0|0,0,2]=3 3220 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100000737683_100103147603 [0,1,0,0,0,0|1,0,2]=4 3221 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100103147603_100000737683 [0,1,0,0,0,0|1,0,2]=4 3222 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,1,0,0,0,0|0,0,2]=3 3223 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,1,0,0,0,0|0,0,2]=3 3224 B11R0.40 CC/C=C\CSCOC(=O)OC 62a_100103147603_100000139417 [0,1,0,0,0,0|1,0,2]=4 3225 B11R0.40 CC=C=CCCOCC(=O)OC 34a_100011020354_100000747449 [0,1,0,0,0,0|0,0,3]=4 3226 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,1,0,0,0,0|1,0,2]=4 3227 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,1,0,0,0,0|0,0,2]=3 3228 B11R0.40 CC=CCNCCCC(=O)NC 2230a_100000740002_100000070051 [0,1,0,0,0,0|1,0,2]=4 3229 B11R0.40 CC=CCNCCCC(=O)NC 34a_100000740002_100000070051 [0,1,0,0,0,0|1,0,2]=4 3230 B11R0.40 CC=CCOCCNC(=O)OC 34a_100000757965_100000070051 [0,1,0,0,0,0|1,0,2]=4 3231 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [0,1,0,0,0,0|1,0,2]=4 3232 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000070051_100000741757 [0,1,0,0,0,0|1,0,2]=4 3233 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000741757_100000070051 [0,1,0,0,0,0|1,0,2]=4 3234 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [0,1,0,0,0,0|0,0,2]=3 3235 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [0,1,0,0,0,0|0,0,2]=3 3236 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [0,1,0,0,0,0|1,0,2]=4 3237 B11R0.40 CCC#CCCOCC(=O)NC 34a_100000036655_100000183359 [0,1,0,0,0,0|1,0,2]=4 3238 B11R0.40 CCC#CCCOCC(=O)NC 7a_100000036655_100000183359 [0,1,0,0,0,0|1,0,2]=4 3239 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,1,0,0,0,0|0,0,2]=3 3240 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,1,0,0,0,0|0,0,2]=3 3241 B11R0.40 CCC#CCNCCC(=O)NC 2230a_100000738227_100009813939 [0,1,0,0,0,0|1,0,2]=4 3242 B11R0.40 CCC#CCNCCC(=O)NC 34a_100000738227_100009813939 [0,1,0,0,0,0|1,0,2]=4 3243 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000032950_100012179268 [0,1,0,0,0,0|1,0,2]=4 3244 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000754576_100009813939 [0,1,0,0,0,0|1,0,2]=4 3245 B11R0.40 CCC#CCOCCC(=O)OC 34a_100000032950_100000742370 [0,1,0,0,0,0|0,0,2]=3 3246 B11R0.40 CCC#CCSCCC(=O)NC 62a_100000737683_100009813939 [0,1,0,0,0,0|1,0,2]=4 3247 B11R0.40 CCC#CCSCCC(=O)NC 62a_100009813939_100000737683 [0,1,0,0,0,0|1,0,2]=4 3248 B11R0.40 CCC#CCSCCC(=O)OC 62a_100000204255_100009813939 [0,1,0,0,0,0|0,0,2]=3 3249 B11R0.40 CCC#CCSCCC(=O)OC 62a_100009813939_100000204255 [0,1,0,0,0,0|0,0,2]=3 3250 B11R0.40 CCC#CCSCOC(=O)OC 62a_100009813939_100000139417 [0,1,0,0,0,0|1,0,2]=4 3251 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,0,0,0,0|1,0,1]=3 3252 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|1,0,0]=2 3253 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|1,0,0]=2 3254 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|1,0,0]=2 3255 B11R0.40 CCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210202 [0,1,0,0,0,0|3,0,0]=4 3256 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,1,0,0,0,0|2,0,0]=3 3257 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|2,0,0]=3 3258 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|2,0,0]=3 3259 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|2,0,0]=3 3260 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|2,0,0]=3 3261 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|2,0,0]=3 3262 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|2,0,0]=3 3263 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|2,0,0]=3 3264 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [0,1,0,0,0,0|3,0,0]=4 3265 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [0,1,0,0,0,0|3,0,0]=4 3266 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [0,1,0,0,0,0|3,0,0]=4 3267 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [0,1,0,0,0,0|3,0,0]=4 3268 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,1,0,0,0,0|3,0,0]=4 3269 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,1,0,0,0,0|3,0,0]=4 3270 B11R0.40 CCC(=O)CSCCCCC#N 62a_100000747405_100000211819 [0,1,0,0,0,0|2,0,1]=4 3271 B11R0.40 CCC(=O)CSCCCCC#N 62a_100011219923_100000747405 [0,1,0,0,0,0|2,0,1]=4 3272 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,1,0,0,0,0|2,0,1]=4 3273 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,1,0,0,0,0|2,0,1]=4 3274 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|2,0,0]=3 3275 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|2,0,0]=3 3276 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|2,0,0]=3 3277 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|2,0,0]=3 3278 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,0,0,0,0|2,0,0]=3 3279 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,0,0,0,0|2,0,0]=3 3280 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,1,0,0,0,0|3,0,0]=4 3281 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,1,0,0,0,0|3,0,0]=4 3282 B11R0.40 CCC(=O)CSCOCCOC 62a_100000231047_100000747405 [0,1,0,0,0,0|3,0,0]=4 3283 B11R0.40 CCC(=O)CSCOCCOC 62a_100000747405_100000231047 [0,1,0,0,0,0|3,0,0]=4 3284 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,1,0,0,0,0|2,0,1]=4 3285 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,1,0,0,0,0|2,0,1]=4 3286 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,1,0,0,0,0|2,0,1]=4 3287 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,1,0,0,0,0|2,0,1]=4 3288 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|2,0,0]=3 3289 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|2,0,0]=3 3290 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|2,0,0]=3 3291 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|2,0,0]=3 3292 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|2,0,0]=3 3293 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|2,0,0]=3 3294 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,1,0,0,0,0|3,0,0]=4 3295 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,1,0,0,0,0|3,0,0]=4 3296 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,1,0,0,0,0|3,0,0]=4 3297 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [0,1,0,0,0,0|3,0,0]=4 3298 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,1,0,0,0,0|3,0,0]=4 3299 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,1,0,0,0,0|3,0,0]=4 3300 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,1,0,0,0,0|3,0,0]=4 3301 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,1,0,0,0,0|3,0,0]=4 3302 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,1,0,0,0,0|3,0,0]=4 3303 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,1,0,0,0,0|3,0,0]=4 3304 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,1,0,0,0,0|3,0,0]=4 3305 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,1,0,0,0,0|3,0,0]=4 3306 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,1,0,0,0,0|3,0,0]=4 3307 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,1,0,0,0,0|3,0,0]=4 3308 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,1,0,0,0,0|3,0,0]=4 3309 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,1,0,0,0,0|3,0,0]=4 3310 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,1,0,0,0,0|3,0,0]=4 3311 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,1,0,0,0,0|3,0,0]=4 3312 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,1,0,0,0,0|3,0,0]=4 3313 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,1,0,0,0,0|3,0,0]=4 3314 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,1,0,0,0,0|1,0,2]=4 3315 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,1,0,0,0,0|1,0,2]=4 3316 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,1,0,0,0,0|1,0,2]=4 3317 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,1,0,0,0,0|0,0,2]=3 3318 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,1,0,0,0,0|0,0,2]=3 3319 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [0,1,0,0,0,0|1,0,2]=4 3320 B11R0.40 CCCC#CCOCC(=O)NC 34a_100000034806_100000183359 [0,1,0,0,0,0|1,0,2]=4 3321 B11R0.40 CCCC#CCOCC(=O)NC 7a_100000034806_100000183359 [0,1,0,0,0,0|1,0,2]=4 3322 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,1,0,0,0,0|0,0,2]=3 3323 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,1,0,0,0,0|0,0,2]=3 3324 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|1,0,1]=3 3325 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|2,0,1]=4 3326 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|1,0,1]=3 3327 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|1,0,1]=3 3328 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|1,0,1]=3 3329 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,1,0,0,0,0|1,0,1]=3 3330 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,0,0,0,0|2,0,1]=4 3331 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,1,0,0,0,0|2,0,1]=4 3332 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|1,0,1]=3 3333 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|2,0,1]=4 3334 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|1,0,1]=3 3335 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|1,0,1]=3 3336 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|1,0,1]=3 3337 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|1,0,0]=2 3338 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|1,0,0]=2 3339 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|2,0,0]=3 3340 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|2,0,0]=3 3341 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|1,0,0]=2 3342 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3343 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3344 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3345 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,1]=4 3346 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|1,0,1]=3 3347 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|1,0,1]=3 3348 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|1,0,1]=3 3349 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|1,0,1]=3 3350 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,1,0,0,0,0|3,0,0]=4 3351 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,1,0,0,0,0|3,0,0]=4 3352 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,1,0,0,0,0|3,0,0]=4 3353 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,1,0,0,0,0|3,0,0]=4 3354 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|1,0,0]=2 3355 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|1,0,0]=2 3356 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|1,0,0]=2 3357 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|1,0,0]=2 3358 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|2,0,0]=3 3359 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|2,0,0]=3 3360 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,0,0,0,0|1,0,0]=2 3361 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,0,0,0,0|1,0,0]=2 3362 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,0,0,0,0|1,0,0]=2 3363 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,0,0,0,0|1,0,0]=2 3364 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,0,0,0,0|1,0,0]=2 3365 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,0,0,0,0|1,0,0]=2 3366 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,1,0,0,0,0|2,0,1]=4 3367 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,1,0,0,0,0|2,0,1]=4 3368 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,1,0,0,0,0|2,0,1]=4 3369 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,1,0,0,0,0|2,0,1]=4 3370 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,1,0,0,0,0|2,0,1]=4 3371 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,1,0,0,0,0|2,0,1]=4 3372 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,1,0,0,0,0|2,0,1]=4 3373 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,1,0,0,0,0|1,0,1]=3 3374 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,1,0,0,0,0|1,0,1]=3 3375 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,0,0,0,0|1,0,0]=2 3376 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,0,0,0,0|1,0,0]=2 3377 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,0,0,0,0|0,0,0]=1 3378 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,1,0,0,0,0|2,0,1]=4 3379 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,1,0,0,0,0|2,0,1]=4 3380 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,1,0,0,0,0|2,0,1]=4 3381 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,1,0,0,0,0|1,0,2]=4 3382 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,1,0,0,0,0|1,0,2]=4 3383 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,1,0,0,0,0|2,0,1]=4 3384 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,1,0,0,0,0|1,0,1]=3 3385 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|1,0,0]=2 3386 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|1,0,0]=2 3387 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|1,0,0]=2 3388 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|1,0,0]=2 3389 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|1,0,0]=2 3390 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|0,0,0]=1 3391 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|0,0,0]=1 3392 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,1,0,0,0,0|2,0,1]=4 3393 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,1,0,0,0,0|2,0,1]=4 3394 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,1,0,0,0,0|1,0,1]=3 3395 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,1,0,0,0,0|1,0,2]=4 3396 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,1,0,0,0,0|1,0,2]=4 3397 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,1,0,0,0,0|2,0,1]=4 3398 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,1,0,0,0,0|2,0,1]=4 3399 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,1,0,0,0,0|2,0,1]=4 3400 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|1,0,0]=2 3401 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|1,0,0]=2 3402 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,0,0,0,0|1,0,0]=2 3403 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,0,0,0,0|1,0,0]=2 3404 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,0,0,0,0|0,0,0]=1 3405 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,0,0,0,0|0,0,0]=1 3406 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,1,0,0,0,0|2,0,1]=4 3407 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,1,0,0,0,0|2,0,1]=4 3408 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,1,0,0,0,0|1,0,2]=4 3409 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,1,0,0,0,0|1,0,2]=4 3410 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,1,0,0,0,0|2,0,1]=4 3411 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,1,0,0,0,0|2,0,1]=4 3412 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,0,0,0,0|1,0,0]=2 3413 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,0,0,0,0|1,0,0]=2 3414 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,0,0,0,0|1,0,0]=2 3415 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,0,0,0,0|0,0,0]=1 3416 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,1,0,0,0,0|2,0,1]=4 3417 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,1,0,0,0,0|1,0,1]=3 3418 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,1,0,0,0,0|3,0,0]=4 3419 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,0,0,0,0|1,0,0]=2 3420 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,0,0,0,0|1,0,0]=2 3421 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,0,0,0,0|1,0,0]=2 3422 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,0,0,0,0|0,0,0]=1 3423 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,0,0,0,0|0,0,0]=1 3424 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,1,0,0,0,0|2,0,1]=4 3425 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,1,0,0,0,0|1,0,1]=3 3426 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,0,0,0,0|1,0,0]=2 3427 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,0,0,0,0|1,0,0]=2 3428 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,0,0,0,0|0,0,0]=1 3429 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,0,0,0,0|0,0,0]=1 3430 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,0,0,0,0|1,0,0]=2 3431 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,1,0,0,0,0|0,0,2]=3 3432 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,1,0,0,0,0|0,0,2]=3 3433 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,0,0,0,0|1,0,0]=2 3434 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,0,0,0,0|1,0,0]=2 3435 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,0,0,0,0|1,0,0]=2 3436 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,0,0,0,0|1,0,0]=2 3437 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,0,0,0,0|0,0,0]=1 3438 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,0,0,0,0|0,0,0]=1 3439 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,1,0,0,0,0|3,0,0]=4 3440 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,1,0,0,0,0|3,0,0]=4 3441 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|2,0,0]=3 3442 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,1,0,0,0,0|2,0,0]=3 3443 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,0,0,0,0|2,0,0]=3 3444 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,1,0,0,0,0|1,0,1]=3 3445 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,1,0,0,0,0|0,0,2]=3 3446 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,1,0,0,0,0|0,0,2]=3 3447 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,0,0,0,0|1,0,0]=2 3448 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,0,0,0,0|1,0,0]=2 3449 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,1,0,0,0,0|2,0,0]=3 3450 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,0,0,0,0|0,0,0]=1 3451 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,0,0,0,0|0,0,0]=1 3452 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,1,0,0,0,0|2,0,1]=4 3453 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,1,0,0,0,0|3,0,0]=4 3454 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|2,0,0]=3 3455 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|2,0,0]=3 3456 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,0,0,0,0|1,0,0]=2 3457 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|2,0,0]=3 3458 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,0,0,0,0|2,0,0]=3 3459 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,0,0,0,0|2,0,0]=3 3460 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,0,0,0,0|1,0,0]=2 3461 B11R0.40 CCCCOCCSC(C)OC 62a_100000743108_100009879195 [0,1,0,0,0,0|2,0,1]=4 3462 B11R0.40 CCCCOCCSC(C)OC 62a_100009879195_100000743108 [0,1,0,0,0,0|2,0,1]=4 3463 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,1,0,0,0,0|2,0,0]=3 3464 B11R0.40 CCCCOCNC[C@@H](C)OC 2230a_100020591295_100011995733 [0,1,0,0,0,0|2,0,1]=4 3465 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|2,0,0]=3 3466 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,1,0,0,0,0|2,0,0]=3 3467 B11R0.40 CCCCOCOCC(C)OC 34a_100000690652_100011995733 [0,1,0,0,0,0|2,0,1]=4 3468 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,0,0,0,0|2,0,0]=3 3469 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,0,0,0,0|2,0,0]=3 3470 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,1,0,0,0,0|2,0,0]=3 3471 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,1,0,0,0,0|2,0,0]=3 3472 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,1,0,0,0,0|1,0,0]=2 3473 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,1,0,0,0,0|1,0,0]=2 3474 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,1,0,0,0,0|0,0,2]=3 3475 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,1,0,0,0,0|0,0,2]=3 3476 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,0,0,0,0|1,0,0]=2 3477 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,0,0,0,0|1,0,0]=2 3478 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,0,0,0,0|0,0,0]=1 3479 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,0,0,0,0|0,0,0]=1 3480 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,1,0,0,0,0|3,0,0]=4 3481 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|2,0,0]=3 3482 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|2,0,0]=3 3483 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|2,0,0]=3 3484 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|2,0,0]=3 3485 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,1,0,0,0,0|3,0,0]=4 3486 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,1,0,0,0,0|3,0,0]=4 3487 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,1,0,0,0,0|2,0,0]=3 3488 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,1,0,0,0,0|2,0,0]=3 3489 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,1,0,0,0,0|2,0,0]=3 3490 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,1,0,0,0,0|2,0,0]=3 3491 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,1,0,0,0,0|2,0,0]=3 3492 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,1,0,0,0,0|2,0,0]=3 3493 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,0,0,0,0|2,0,0]=3 3494 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,0,0,0,0|2,0,0]=3 3495 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [0,1,0,0,0,0|1,0,1]=3 3496 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,0,0,0,0|0,0,0]=1 3497 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,0,0,0,0|0,0,0]=1 3498 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,0,0,0,0|0,0,0]=1 3499 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|2,0,0]=3 3500 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|2,0,0]=3 3501 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|2,0,0]=3 3502 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,0,0,0,0|3,0,0]=4 3503 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,0,0,0,0|3,0,0]=4 3504 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,1,0,0,0,0|2,0,0]=3 3505 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,1,0,0,0,0|2,0,0]=3 3506 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,1,0,0,0,0|2,0,0]=3 3507 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,1,0,0,0,0|2,0,0]=3 3508 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,1,0,0,0,0|2,0,0]=3 3509 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,1,0,0,0,0|2,0,0]=3 3510 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,1,0,0,0,0|2,0,0]=3 3511 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,1,0,0,0,0|2,0,0]=3 3512 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,1,0,0,0,0|2,0,0]=3 3513 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,0,0,0,0|1,0,0]=2 3514 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,0,0,0,0|1,0,0]=2 3515 B11R0.40 CCCOCCNC[C@@H](C)OC 2230a_100020591295_100011215938 [0,1,0,0,0,0|2,0,1]=4 3516 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|2,0,0]=3 3517 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|2,0,0]=3 3518 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,0,0,0,0|2,0,0]=3 3519 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,0,0,0,0|2,0,0]=3 3520 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,0,0,0,0|2,0,0]=3 3521 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,0,0,0,0|1,0,0]=2 3522 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,0,0,0,0|1,0,0]=2 3523 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,0,0,0,0|1,0,0]=2 3524 B11R0.40 CCCOCCOCC(C)OC 34a_100000690652_100011215938 [0,1,0,0,0,0|2,0,1]=4 3525 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|2,0,0]=3 3526 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|2,0,0]=3 3527 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,1,0,0,0,0|2,0,0]=3 3528 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,1,0,0,0,0|2,0,0]=3 3529 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,0,0,0,0|1,0,0]=2 3530 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,0,0,0,0|1,0,0]=2 3531 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,0,0,0,0|0,0,0]=1 3532 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,0,0,0,0|0,0,0]=1 3533 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,1,0,0,0,0|2,0,0]=3 3534 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,1,0,0,0,0|1,0,0]=2 3535 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|2,0,0]=3 3536 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,0,0,0,0|2,0,0]=3 3537 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,0,0,0,0|2,0,0]=3 3538 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,0,0,0,0|1,0,0]=2 3539 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,0,0,0,0|1,0,0]=2 3540 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,0,0,0,0|1,0,0]=2 3541 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,0,0,0,0|1,0,0]=2 3542 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,1,0,0,0,0|3,0,0]=4 3543 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,1,0,0,0,0|3,0,0]=4 3544 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,1,0,0,0,0|3,0,0]=4 3545 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,1,0,0,0,0|3,0,0]=4 3546 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,0,0,0,0|0,0,0]=1 3547 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [0,1,0,0,0,0|1,0,1]=3 3548 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,0,0,0,0|0,0,0]=1 3549 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,0,0,0,0|0,0,0]=1 3550 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,0,0,0,0|0,0,0]=1 3551 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,1,0,0,0,0|2,0,1]=4 3552 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,1,0,0,0,0|2,0,0]=3 3553 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,1,0,0,0,0|2,0,0]=3 3554 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,1,0,0,0,0|2,0,0]=3 3555 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,1,0,0,0,0|1,0,0]=2 3556 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,1,0,0,0,0|1,0,0]=2 3557 B11R0.40 CCOCCCNC[C@@H](C)OC 2230a_100020591295_100012232248 [0,1,0,0,0,0|2,0,1]=4 3558 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|2,0,0]=3 3559 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|2,0,0]=3 3560 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,1,0,0,0,0|2,0,0]=3 3561 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,1,0,0,0,0|2,0,0]=3 3562 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,1,0,0,0,0|2,0,0]=3 3563 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,0,0,0,0|1,0,0]=2 3564 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,0,0,0,0|1,0,0]=2 3565 B11R0.40 CCOCCCOCC(C)OC 34a_100000690652_100012232248 [0,1,0,0,0,0|2,0,1]=4 3566 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|2,0,0]=3 3567 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|2,0,0]=3 3568 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,1,0,0,0,0|2,0,0]=3 3569 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,1,0,0,0,0|2,0,0]=3 3570 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,1,0,0,0,0|1,0,0]=2 3571 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,1,0,0,0,0|1,0,0]=2 3572 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,1,0,0,0,0|2,0,0]=3 3573 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,1,0,0,0,0|2,0,0]=3 3574 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,1,0,0,0,0|2,0,0]=3 3575 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,1,0,0,0,0|2,0,0]=3 3576 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,1,0,0,0,0|1,0,0]=2 3577 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,1,0,0,0,0|1,0,0]=2 3578 B11R0.40 CCOCCNN=CC(=O)OC 4a_100000732670_200011823558 [0,1,0,0,0,0|2,0,1]=4 3579 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,1,0,0,0,0|2,0,0]=3 3580 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,1,0,0,0,0|3,0,0]=4 3581 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,1,0,0,0,0|2,0,0]=3 3582 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,1,0,0,0,0|2,0,0]=3 3583 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,1,0,0,0,0|2,0,0]=3 3584 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,1,0,0,0,0|1,0,0]=2 3585 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,1,0,0,0,0|1,0,0]=2 3586 B11R0.40 CCOCCOCCC(C)OC 7a_100000764861_100011215890 [0,1,0,0,0,0|2,0,1]=4 3587 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,1,0,0,0,0|2,0,0]=3 3588 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,1,0,0,0,0|2,0,0]=3 3589 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,1,0,0,0,0|1,0,0]=2 3590 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,1,0,0,0,0|1,0,0]=2 3591 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,1,0,0,0,0|2,0,0]=3 3592 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000739092_100000742655 [0,1,0,0,0,0|1,0,2]=4 3593 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000742655_100000739092 [0,1,0,0,0,0|1,0,2]=4 3594 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,1,0,0,0,0|2,0,0]=3 3595 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,1,0,0,0,0|2,0,0]=3 3596 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,1,0,0,0,0|1,0,0]=2 3597 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,1,0,0,0,0|1,0,0]=2 3598 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,1,0,0,0,0|3,0,0]=4 3599 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,1,0,0,0,0|3,0,0]=4 3600 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,0,0,0,0|0,0,0]=1 3601 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,0,0,0,0|0,0,0]=1 3602 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|2,0,0]=3 3603 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,1,0,0,0,0|2,0,0]=3 3604 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,1,0,0,0,0|2,0,0]=3 3605 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,0,0,0,0|1,0,0]=2 3606 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,0,0,0,0|1,0,0]=2 3607 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,1,0,0,0,0|2,0,0]=3 3608 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,1,0,0,0,0|2,0,0]=3 3609 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,1,0,0,0,0|2,0,0]=3 3610 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,1,0,0,0,0|1,0,0]=2 3611 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,1,0,0,0,0|2,0,0]=3 3612 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,1,0,0,0,0|2,0,0]=3 3613 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,1,0,0,0,0|2,0,0]=3 3614 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,1,0,0,0,0|1,0,0]=2 3615 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,1,0,0,0,0|1,0,0]=2 3616 B11R0.40 CCSCCOCCC(C)OC 7a_100000764861_100000757381 [0,1,0,0,0,0|2,0,1]=4 3617 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,1,0,0,0,0|2,0,0]=3 3618 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,1,0,0,0,0|2,0,0]=3 3619 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,1,0,0,0,0|1,0,0]=2 3620 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,1,0,0,0,0|1,0,0]=2 3621 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,1,0,0,0,0|2,0,0]=3 3622 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|1,0,0]=2 3623 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 11a_106832991635_100009870042 [0,1,0,0,0,0|3,0,0]=4 3624 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 240690a_100102657272_100009870042 [0,1,0,0,0,0|3,0,0]=4 3625 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 527a_100102657272_100009870042 [0,1,0,0,0,0|3,0,0]=4 3626 B11R0.40 CNC(=O)CCCNCCC#N 2230a_100000740002_100011215226 [0,1,0,0,0,0|2,0,1]=4 3627 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,1,0,0,0,0|2,0,0]=3 3628 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,1,0,0,0,0|2,0,0]=3 3629 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,1,0,0,0,0|2,0,0]=3 3630 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,1,0,0,0,0|2,0,0]=3 3631 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,1,0,0,0,0|2,0,0]=3 3632 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,1,0,0,0,0|2,0,0]=3 3633 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,1,0,0,0,0|2,0,0]=3 3634 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,1,0,0,0,0|2,0,0]=3 3635 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,1,0,0,0,0|2,0,0]=3 3636 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,1,0,0,0,0|2,0,0]=3 3637 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,1,0,0,0,0|2,0,0]=3 3638 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,1,0,0,0,0|2,0,0]=3 3639 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,1,0,0,0,0|2,0,0]=3 3640 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,1,0,0,0,0|2,0,0]=3 3641 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,1,0,0,0,0|2,0,0]=3 3642 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,1,0,0,0,0|2,0,0]=3 3643 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,1,0,0,0,0|2,0,0]=3 3644 B11R0.40 CNC(=O)CCCOCCON 34a_100000700252_100000741757 [0,1,0,0,0,0|3,0,0]=4 3645 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,1,0,0,0,0|2,0,0]=3 3646 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,1,0,0,0,0|2,0,0]=3 3647 B11R0.40 CNC(=O)CCCSCCC#N 62a_100000741757_100011215226 [0,1,0,0,0,0|2,0,1]=4 3648 B11R0.40 CNC(=O)CCCSCCC#N 62a_100011215226_100000741757 [0,1,0,0,0,0|2,0,1]=4 3649 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,1,0,0,0,0|2,0,0]=3 3650 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,1,0,0,0,0|2,0,0]=3 3651 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,1,0,0,0,0|2,0,0]=3 3652 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,1,0,0,0,0|2,0,0]=3 3653 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,1,0,0,0,0|2,0,0]=3 3654 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,1,0,0,0,0|2,0,0]=3 3655 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,1,0,0,0,0|2,0,0]=3 3656 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,1,0,0,0,0|2,0,0]=3 3657 B11R0.40 CNC(=O)CCNCCCC#N 2230a_100000738227_100000687738 [0,1,0,0,0,0|2,0,1]=4 3658 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,1,0,0,0,0|2,0,1]=4 3659 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,1,0,0,0,0|2,0,0]=3 3660 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,1,0,0,0,0|2,0,0]=3 3661 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,1,0,0,0,0|2,0,0]=3 3662 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,1,0,0,0,0|2,0,0]=3 3663 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,1,0,0,0,0|2,0,0]=3 3664 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,1,0,0,0,0|2,0,0]=3 3665 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,1,0,0,0,0|2,0,0]=3 3666 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,1,0,0,0,0|2,0,0]=3 3667 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,1,0,0,0,0|2,0,0]=3 3668 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,1,0,0,0,0|2,0,0]=3 3669 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,1,0,0,0,0|2,0,0]=3 3670 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,1,0,0,0,0|2,0,0]=3 3671 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,1,0,0,0,0|2,0,0]=3 3672 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,1,0,0,0,0|2,0,0]=3 3673 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,1,0,0,0,0|2,0,0]=3 3674 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,1,0,0,0,0|2,0,0]=3 3675 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,1,0,0,0,0|2,0,0]=3 3676 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,1,0,0,0,0|2,0,0]=3 3677 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,1,0,0,0,0|2,0,0]=3 3678 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,1,0,0,0,0|2,0,0]=3 3679 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,1,0,0,0,0|2,0,0]=3 3680 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,1,0,0,0,0|2,0,0]=3 3681 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,1,0,0,0,0|2,0,0]=3 3682 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000687738_100000737683 [0,1,0,0,0,0|2,0,1]=4 3683 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000737683_100000687738 [0,1,0,0,0,0|2,0,1]=4 3684 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,1,0,0,0,0|2,0,1]=4 3685 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,1,0,0,0,0|2,0,1]=4 3686 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,1,0,0,0,0|2,0,0]=3 3687 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,1,0,0,0,0|2,0,0]=3 3688 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,1,0,0,0,0|2,0,0]=3 3689 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,1,0,0,0,0|2,0,0]=3 3690 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,1,0,0,0,0|2,0,0]=3 3691 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,1,0,0,0,0|2,0,0]=3 3692 B11R0.40 CNC(=O)CNCCCCC#N 2230a_100000693194_100000211819 [0,1,0,0,0,0|2,0,1]=4 3693 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,1,0,0,0,0|2,0,1]=4 3694 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,1,0,0,0,0|2,0,0]=3 3695 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,0,0,0,0|2,0,0]=3 3696 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 3697 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 3698 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,1,0,0,0,0|2,0,0]=3 3699 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 3700 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000693194_100011215305 [0,1,0,0,0,0|3,0,0]=4 3701 B11R0.40 CNC(=O)CNCCOCCO 34a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 3702 B11R0.40 CNC(=O)CNCCSCCO 2230a_100011219999_100000183359 [0,1,0,0,0,0|3,0,0]=4 3703 B11R0.40 CNC(=O)CNCOCCOC 2230a_100000693194_100000231047 [0,1,0,0,0,0|3,0,0]=4 3704 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,1,0,0,0,0|2,0,0]=3 3705 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,1,0,0,0,0|2,0,0]=3 3706 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 3707 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 3708 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,1,0,0,0,0|2,0,0]=3 3709 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,1,0,0,0,0|2,0,0]=3 3710 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,1,0,0,0,0|2,0,0]=3 3711 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 3712 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,0,0,0,0|2,0,0]=3 3713 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,1,0,0,0,0|2,0,0]=3 3714 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,1,0,0,0,0|2,0,0]=3 3715 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,1,0,0,0,0|2,0,0]=3 3716 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,1,0,0,0,0|2,0,0]=3 3717 B11R0.40 CNC(=O)COCCOCCBr 34a_100000692535_100000183359 [0,1,0,0,0,0|3,0,0]=4 3718 B11R0.40 CNC(=O)COCCOCCBr 7a_100000692535_100000183359 [0,1,0,0,0,0|3,0,0]=4 3719 B11R0.40 CNC(=O)COCCOCCCl 34a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 3720 B11R0.40 CNC(=O)COCCOCCCl 7a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 3721 B11R0.40 CNC(=O)COCCOCCF 34a_200015357709_100000183359 [0,1,0,0,0,0|3,0,0]=4 3722 B11R0.40 CNC(=O)COCCOCCF 7a_200015357709_100000183359 [0,1,0,0,0,0|3,0,0]=4 3723 B11R0.40 CNC(=O)COCCOCCI 34a_100012149058_100000183359 [0,1,0,0,0,0|3,0,0]=4 3724 B11R0.40 CNC(=O)COCCOCCI 7a_100012149058_100000183359 [0,1,0,0,0,0|3,0,0]=4 3725 B11R0.40 CNC(=O)COCCOCCN 34a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 3726 B11R0.40 CNC(=O)COCCOCCO 1626a_100102657272_106645077154 [0,1,0,0,0,0|3,0,0]=4 3727 B11R0.40 CNC(=O)COCCOCCO 240690a_100102657272_106645077154 [0,1,0,0,0,0|3,0,0]=4 3728 B11R0.40 CNC(=O)COCCOCCO 34a_100000750040_100000692535 [0,1,0,0,0,0|3,0,0]=4 3729 B11R0.40 CNC(=O)CSCCCCC#N 62a_100000183359_100000211819 [0,1,0,0,0,0|2,0,1]=4 3730 B11R0.40 CNC(=O)CSCCCCC#N 62a_100011219923_100000183359 [0,1,0,0,0,0|2,0,1]=4 3731 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,1,0,0,0,0|2,0,1]=4 3732 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,1,0,0,0,0|2,0,1]=4 3733 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,1,0,0,0,0|2,0,0]=3 3734 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,1,0,0,0,0|2,0,0]=3 3735 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,0,0,0,0|2,0,0]=3 3736 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 3737 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,1,0,0,0,0|2,0,0]=3 3738 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,1,0,0,0,0|2,0,0]=3 3739 B11R0.40 CNC(=O)CSCCOCCO 62a_100000183359_100011215305 [0,1,0,0,0,0|3,0,0]=4 3740 B11R0.40 CNC(=O)CSCCOCCO 62a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 3741 B11R0.40 CNC(=O)CSCOCCOC 62a_100000183359_100000231047 [0,1,0,0,0,0|3,0,0]=4 3742 B11R0.40 CNC(=O)CSCOCCOC 62a_100000231047_100000183359 [0,1,0,0,0,0|3,0,0]=4 3743 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100000061152_106832991635 [0,1,0,0,0,0|2,0,1]=4 3744 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100102657272_100000061152 [0,1,0,0,0,0|2,0,1]=4 3745 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100000061152_100102657272 [0,1,0,0,0,0|2,0,1]=4 3746 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100102657272_100000061152 [0,1,0,0,0,0|2,0,1]=4 3747 B11R0.40 CNC(=O)NCCCCCC#N 512a_100000061152_100102657272 [0,1,0,0,0,0|2,0,1]=4 3748 B11R0.40 CNC(=O)NCCCCCC#N 512a_106832991638_100000061152 [0,1,0,0,0,0|2,0,1]=4 3749 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,0,0,0,0|2,0,0]=3 3750 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,0,0,0,0|2,0,0]=3 3751 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,0,0,0,0|2,0,0]=3 3752 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,0,0,0,0|2,0,0]=3 3753 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,0,0,0,0|2,0,0]=3 3754 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,1,0,0,0,0|2,0,0]=3 3755 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,1,0,0,0,0|2,0,0]=3 3756 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,1,0,0,0,0|2,0,0]=3 3757 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,1,0,0,0,0|2,0,0]=3 3758 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,1,0,0,0,0|2,0,0]=3 3759 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,1,0,0,0,0|2,0,0]=3 3760 B11R0.40 CNC(=O)NCCNCCCF 34a_100015205895_100011934791 [0,1,0,0,0,0|3,0,0]=4 3761 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,1,0,0,0,0|3,0,0]=4 3762 B11R0.40 CNC(=O)NCCNCCOC 34a_100015205895_100011201679 [0,1,0,0,0,0|3,0,0]=4 3763 B11R0.40 CNC(=O)NCCNCCSC 34a_100015205895_100000212216 [0,1,0,0,0,0|3,0,0]=4 3764 B11R0.40 CNC(=O)NCCOCCOC 2708a_100000745349_106832991635 [0,1,0,0,0,0|3,0,0]=4 3765 B11R0.40 CNC(=O)NCCOCCOC 2708a_100102657272_100000745349 [0,1,0,0,0,0|3,0,0]=4 3766 B11R0.40 CNC(=O)NCCOCCOC 273464a_100000745349_100102657272 [0,1,0,0,0,0|3,0,0]=4 3767 B11R0.40 CNC(=O)NCCOCCOC 273464a_100102657272_100000745349 [0,1,0,0,0,0|3,0,0]=4 3768 B11R0.40 CNC(=O)NCCOCCOC 512a_100000745349_100102657272 [0,1,0,0,0,0|3,0,0]=4 3769 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,1,0,0,0,0|3,0,0]=4 3770 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,1,0,0,0,0|3,0,0]=4 3771 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,1,0,0,0,0|3,0,0]=4 3772 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,1,0,0,0,0|3,0,0]=4 3773 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,1,0,0,0,0|3,0,0]=4 3774 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,1,0,0,0,0|3,0,0]=4 3775 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,1,0,0,0,0|3,0,0]=4 3776 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,1,0,0,0,0|3,0,0]=4 3777 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,1,0,0,0,0|3,0,0]=4 3778 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,1,0,0,0,0|3,0,0]=4 3779 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,1,0,0,0,0|3,0,0]=4 3780 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,1,0,0,0,0|3,0,0]=4 3781 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,1,0,0,0,0|3,0,0]=4 3782 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,1,0,0,0,0|3,0,0]=4 3783 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,1,0,0,0,0|3,0,0]=4 3784 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,1,0,0,0,0|3,0,0]=4 3785 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,0,0,0,0|0,0,0]=1 3786 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,0,0,0,0|0,0,0]=1 3787 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,0,0,0,0|0,0,0]=1 3788 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,1,0,0,0,0|2,0,0]=3 3789 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,1,0,0,0,0|1,0,0]=2 3790 B11R0.40 COC(=O)/C=C/CNCCCF 2230a_100015189416_100000742655 [0,1,0,0,0,0|1,0,2]=4 3791 B11R0.40 COC(=O)/C=C/CNCCCF 34a_100015189416_100000742655 [0,1,0,0,0,0|1,0,2]=4 3792 B11R0.40 COC(=O)/C=C/CNCCSC 2230a_100020590264_100000742655 [0,1,0,0,0,0|1,0,2]=4 3793 B11R0.40 COC(=O)/C=C/COCCCBr 34a_100011217188_100000742655 [0,1,0,0,0,0|1,0,2]=4 3794 B11R0.40 COC(=O)/C=C/COCCCCl 34a_100000230001_100000742655 [0,1,0,0,0,0|1,0,2]=4 3795 B11R0.40 COC(=O)/C=C/COCCCF 34a_100000759539_100000742655 [0,1,0,0,0,0|1,0,2]=4 3796 B11R0.40 COC(=O)/C=C/COCCCN 34a_100000182051_100000742655 [0,1,0,0,0,0|1,0,2]=4 3797 B11R0.40 COC(=O)/C=C/COCCSC 34a_100000230434_100000742655 [0,1,0,0,0,0|1,0,2]=4 3798 B11R0.40 COC(=O)/C=C/COCCSC 7a_100000230434_100000742655 [0,1,0,0,0,0|1,0,2]=4 3799 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100000742655_100011934791 [0,1,0,0,0,0|1,0,2]=4 3800 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100011934791_100000742655 [0,1,0,0,0,0|1,0,2]=4 3801 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [0,1,0,0,0,0|1,0,2]=4 3802 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [0,1,0,0,0,0|1,0,2]=4 3803 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000212216_100000742655 [0,1,0,0,0,0|1,0,2]=4 3804 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000742655_100000751147 [0,1,0,0,0,0|1,0,2]=4 3805 B11R0.40 COC(=O)CCC=NNCCO 4a_100000210001_100012047195 [0,1,0,0,0,0|2,0,1]=4 3806 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,0,0,0,0|0,0,0]=1 3807 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,0,0,0,0|0,0,0]=1 3808 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|0,0,0]=1 3809 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|0,0,0]=1 3810 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|0,0,0]=1 3811 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|0,0,0]=1 3812 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,1,0,0,0,0|1,0,0]=2 3813 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,1,0,0,0,0|1,0,0]=2 3814 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,1,0,0,0,0|1,0,0]=2 3815 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,1,0,0,0,0|1,0,0]=2 3816 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,1,0,0,0,0|1,0,0]=2 3817 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,0,0,0,0|1,0,0]=2 3818 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,0,0,0,0|1,0,0]=2 3819 B11R0.40 COC(=O)CCCCOCC#N 7a_100000059025_100011215382 [0,1,0,0,0,0|1,0,1]=3 3820 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,1,0,0,0,0|1,0,1]=3 3821 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,1,0,0,0,0|1,0,1]=3 3822 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,1,0,0,0,0|1,0,0]=2 3823 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,1,0,0,0,0|1,0,0]=2 3824 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,1,0,0,0,0|1,0,0]=2 3825 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,1,0,0,0,0|1,0,0]=2 3826 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,0,0,0,0|1,0,0]=2 3827 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,0,0,0,0|1,0,0]=2 3828 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,1,0,0,0,0|1,0,0]=2 3829 B11R0.40 COC(=O)CCCCSCC#N 62a_100000204269_100011215382 [0,1,0,0,0,0|1,0,1]=3 3830 B11R0.40 COC(=O)CCCCSCC#N 62a_100011215382_100000204269 [0,1,0,0,0,0|1,0,1]=3 3831 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,1,0,0,0,0|1,0,1]=3 3832 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,1,0,0,0,0|1,0,1]=3 3833 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,1,0,0,0,0|1,0,0]=2 3834 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,1,0,0,0,0|1,0,0]=2 3835 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,0,0,0,0|1,0,0]=2 3836 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,0,0,0,0|1,0,0]=2 3837 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,1,0,0,0,0|1,0,0]=2 3838 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,1,0,0,0,0|1,0,0]=2 3839 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,1,0,0,0,0|1,0,0]=2 3840 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,1,0,0,0,0|1,0,0]=2 3841 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,1,0,0,0,0|1,0,0]=2 3842 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,1,0,0,0,0|1,0,0]=2 3843 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,1,0,0,0,0|1,0,0]=2 3844 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,1,0,0,0,0|1,0,0]=2 3845 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,0,0,0,0|1,0,0]=2 3846 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [0,1,0,0,0,0|2,0,0]=3 3847 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,1,0,0,0,0|1,0,0]=2 3848 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,1,0,0,0,0|1,0,0]=2 3849 B11R0.40 COC(=O)CCCSCCC#N 62a_100011215226_100011218270 [0,1,0,0,0,0|1,0,1]=3 3850 B11R0.40 COC(=O)CCCSCCC#N 62a_100011218270_100011215226 [0,1,0,0,0,0|1,0,1]=3 3851 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,1,0,0,0,0|1,0,0]=2 3852 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,1,0,0,0,0|1,0,0]=2 3853 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,0,0,0,0|1,0,0]=2 3854 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,0,0,0,0|1,0,0]=2 3855 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,1,0,0,0,0|1,0,0]=2 3856 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,1,0,0,0,0|1,0,0]=2 3857 B11R0.40 COC(=O)CCCSCSC#N 62a_100000211825_100011218270 [0,1,0,0,0,0|2,0,1]=4 3858 B11R0.40 COC(=O)CCCSCSC#N 62a_100011218270_100000211825 [0,1,0,0,0,0|2,0,1]=4 3859 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,0,0,0,0|1,0,0]=2 3860 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,0,0,0,0|1,0,0]=2 3861 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,1,0,0,0,0|1,0,0]=2 3862 B11R0.40 COC(=O)CCOCC#CCCl 34a_200000047223_100000742370 [0,1,0,0,0,0|1,0,2]=4 3863 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,1,0,0,0,0|1,0,0]=2 3864 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,1,0,0,0,0|1,0,0]=2 3865 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,1,0,0,0,0|1,0,0]=2 3866 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,1,0,0,0,0|1,0,0]=2 3867 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,1,0,0,0,0|1,0,0]=2 3868 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,1,0,0,0,0|1,0,0]=2 3869 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,1,0,0,0,0|1,0,0]=2 3870 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,1,0,0,0,0|1,0,0]=2 3871 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,1,0,0,0,0|1,0,0]=2 3872 B11R0.40 COC(=O)CCSCC#CCO 62a_100000204255_200000047223 [0,1,0,0,0,0|1,0,2]=4 3873 B11R0.40 COC(=O)CCSCC#CCO 62a_200000047223_100000204255 [0,1,0,0,0,0|1,0,2]=4 3874 B11R0.40 COC(=O)CCSCCCC#N 62a_100000204255_100000687738 [0,1,0,0,0,0|1,0,1]=3 3875 B11R0.40 COC(=O)CCSCCCC#N 62a_100000687738_100000204255 [0,1,0,0,0,0|1,0,1]=3 3876 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,1,0,0,0,0|1,0,1]=3 3877 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,1,0,0,0,0|1,0,1]=3 3878 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,1,0,0,0,0|1,0,0]=2 3879 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,1,0,0,0,0|1,0,0]=2 3880 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,0,0,0,0|1,0,0]=2 3881 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,0,0,0,0|1,0,0]=2 3882 B11R0.40 COC(=O)CCSCCSC#N 62a_100000034367_100000204255 [0,1,0,0,0,0|2,0,1]=4 3883 B11R0.40 COC(=O)CCSCCSC#N 62a_100000204255_100000034367 [0,1,0,0,0,0|2,0,1]=4 3884 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,0,0,0,0|1,0,0]=2 3885 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,0,0,0,0|1,0,0]=2 3886 B11R0.40 COC(=O)CNCCCN=[N+]=[N-] 2230a_100000744732_100000747449 [0,1,0,0,0,0|3,0,0]=4 3887 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,1,0,0,0,0|2,0,0]=3 3888 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,1,0,0,0,0|2,0,0]=3 3889 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [0,1,0,0,0,0|2,0,0]=3 3890 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,0,0,0,0|1,0,0]=2 3891 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,0,0,0,0|1,0,0]=2 3892 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,0,0,0,0|1,0,0]=2 3893 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,0,0,0,0|1,0,0]=2 3894 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,0,0,0,0|1,0,0]=2 3895 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,0,0,0,0|1,0,0]=2 3896 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,0,0,0,0|1,0,0]=2 3897 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,1,0,0,0,0|1,0,0]=2 3898 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,1,0,0,0,0|1,0,0]=2 3899 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [0,1,0,0,0,0|2,0,0]=3 3900 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,1,0,0,0,0|2,0,0]=3 3901 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,1,0,0,0,0|2,0,0]=3 3902 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,1,0,0,0,0|2,0,0]=3 3903 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,1,0,0,0,0|2,0,0]=3 3904 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,1,0,0,0,0|2,0,0]=3 3905 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,1,0,0,0,0|2,0,0]=3 3906 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,1,0,0,0,0|2,0,0]=3 3907 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,1,0,0,0,0|2,0,0]=3 3908 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,1,0,0,0,0|2,0,0]=3 3909 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,1,0,0,0,0|2,0,0]=3 3910 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,1,0,0,0,0|2,0,0]=3 3911 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,1,0,0,0,0|2,0,0]=3 3912 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,1,0,0,0,0|2,0,0]=3 3913 B11R0.40 COC(=O)COCCSCC#N 62a_100000090808_100011215382 [0,1,0,0,0,0|2,0,1]=4 3914 B11R0.40 COC(=O)COCCSCC#N 62a_100011215382_100000090808 [0,1,0,0,0,0|2,0,1]=4 3915 B11R0.40 COC(=O)COCCSCC=O 62a_100000090808_200015260668 [0,1,0,0,0,0|2,0,1]=4 3916 B11R0.40 COC(=O)COCCSCC=O 62a_200015260668_100000090808 [0,1,0,0,0,0|2,0,1]=4 3917 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [0,1,0,0,0,0|2,0,0]=3 3918 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [0,1,0,0,0,0|2,0,0]=3 3919 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,1,0,0,0,0|2,0,0]=3 3920 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,1,0,0,0,0|2,0,0]=3 3921 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [0,1,0,0,0,0|2,0,0]=3 3922 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [0,1,0,0,0,0|2,0,0]=3 3923 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,1,0,0,0,0|1,0,1]=3 3924 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,1,0,0,0,0|1,0,1]=3 3925 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,1,0,0,0,0|1,0,1]=3 3926 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,1,0,0,0,0|1,0,1]=3 3927 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,1,0,0,0,0|1,0,0]=2 3928 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,1,0,0,0,0|1,0,0]=2 3929 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,0,0,0,0|1,0,0]=2 3930 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,0,0,0,0|1,0,0]=2 3931 B11R0.40 COC(=O)CSCCOCC#N 62a_100000747449_200000047693 [0,1,0,0,0,0|2,0,1]=4 3932 B11R0.40 COC(=O)CSCCOCC#N 62a_200000047693_100000747449 [0,1,0,0,0,0|2,0,1]=4 3933 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,1,0,0,0,0|2,0,0]=3 3934 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,1,0,0,0,0|2,0,0]=3 3935 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,1,0,0,0,0|2,0,0]=3 3936 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,1,0,0,0,0|2,0,0]=3 3937 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,1,0,0,0,0|2,0,0]=3 3938 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,1,0,0,0,0|2,0,0]=3 3939 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,1,0,0,0,0|2,0,0]=3 3940 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,1,0,0,0,0|2,0,0]=3 3941 B11R0.40 COC(=O)OCSCCCC#N 62a_100000687738_100000139417 [0,1,0,0,0,0|2,0,1]=4 3942 B11R0.40 COC(=O)OCSCCCC=O 62a_200011292268_100000139417 [0,1,0,0,0,0|2,0,1]=4 3943 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,1,0,0,0,0|2,0,0]=3 3944 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,1,0,0,0,0|2,0,0]=3 3945 B11R0.40 COC(C)CCOCCCCF 7a_100000764861_100000729493 [0,1,0,0,0,0|2,0,1]=4 3946 B11R0.40 COC(C)CCOCCCCO 7a_100000764861_100000210776 [0,1,0,0,0,0|2,0,1]=4 3947 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [0,1,0,0,0,0|2,0,1]=4 3948 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,1,0,0,0,0|2,0,1]=4 3949 B11R0.40 COC(C)SCCCCCCF 62a_100009879195_100015922095 [0,1,0,0,0,0|2,0,1]=4 3950 B11R0.40 COC(C)SCCCCCCF 62a_100015922095_100009879195 [0,1,0,0,0,0|2,0,1]=4 3951 B11R0.40 COC(C)SCCCCCCO 62a_100000766143_100009879195 [0,1,0,0,0,0|2,0,1]=4 3952 B11R0.40 COC(C)SCCCCCCO 62a_100009879195_100000766143 [0,1,0,0,0,0|2,0,1]=4 3953 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,0,0,0,0|2,0,0]=3 3954 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,0,0,0,0|0,0,0]=1 3955 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,0,0,0,0|0,0,0]=1 3956 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,0,0,0,0|0,0,0]=1 3957 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,0,0,0,0|3,0,0]=4 3958 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,0,0,0,0|3,0,0]=4 3959 B11R0.40 COCCCCNC[C@@H](C)OC 2230a_100020591295_100000730899 [0,1,0,0,0,0|2,0,1]=4 3960 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,1,0,0,0,0|1,0,0]=2 3961 B11R0.40 COCCCCOCC(C)OC 34a_100000690652_100000755781 [0,1,0,0,0,0|2,0,1]=4 3962 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,1,0,0,0,0|1,0,0]=2 3963 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,1,0,0,0,0|1,0,0]=2 3964 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,1,0,0,0,0|1,0,0]=2 3965 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,1,0,0,0,0|1,0,0]=2 3966 B11R0.40 COCCCOCCC(C)OC 7a_100000764861_100000740836 [0,1,0,0,0,0|2,0,1]=4 3967 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,1,0,0,0,0|1,0,0]=2 3968 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,1,0,0,0,0|1,0,0]=2 3969 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,1,0,0,0,0|2,0,0]=3 3970 B11R0.40 COCCNC/C=C/C(=O)OC 2230a_100000209980_100000742655 [0,1,0,0,0,0|1,0,2]=4 3971 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,1,0,0,0,0|1,0,0]=2 3972 B11R0.40 COCCOC/C=C/C(=O)OC 34a_100000210237_100000742655 [0,1,0,0,0,0|1,0,2]=4 3973 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,1,0,0,0,0|3,0,0]=4 3974 B11R0.40 COCCOCCCC(=O)NN 34a_100000211488_100011201679 [0,1,0,0,0,0|3,0,0]=4 3975 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,1,0,0,0,0|1,0,0]=2 3976 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,1,0,0,0,0|2,0,0]=3 3977 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,1,0,0,0,0|2,0,0]=3 3978 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [0,1,0,0,0,0|2,0,0]=3 3979 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [0,1,0,0,0,0|2,0,0]=3 3980 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000233755_100000742655 [0,1,0,0,0,0|1,0,2]=4 3981 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000742655_100000233755 [0,1,0,0,0,0|1,0,2]=4 3982 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,1,0,0,0,0|1,0,0]=2 3983 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,1,0,0,0,0|1,0,0]=2 3984 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,1,0,0,0,0|1,0,0]=2 3985 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,1,0,0,0,0|1,0,0]=2 3986 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [0,1,0,0,0,0|2,0,0]=3 3987 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [0,1,0,0,0,0|2,0,0]=3 3988 B11R0.40 CO[C@H](C)CNCCCCCF 2230a_100020591295_100000729378 [0,1,0,0,0,0|2,0,1]=4 3989 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,1,0,0,0,0|2,0,1]=4 3990 B11R0.40 CSCCOCCCC(=O)NN 34a_100000211488_100000212216 [0,1,0,0,0,0|3,0,0]=4 3991 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,1,0,0,0,0|2,0,1]=4 3992 B11R0.40 NNC(=O)CCCOCCCF 34a_100000211488_100011934791 [0,1,0,0,0,0|3,0,0]=4 3993 B11R0.40 NNC(=O)CCCOCCCO 34a_100000211488_100000230001 [0,1,0,0,0,0|3,0,0]=4 3994 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|2,0,0]=3 3995 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|2,0,0]=3 3996 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,0,0,0,0|3,0,0]=4 3997 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,0,0,0,0|3,0,0]=4 3998 B11R0.42 C#CCCCCCC(=O)C(=C)C 1458a_100000185857_100012094781 [0,1,0,0,0,0|1,0,2]=4 3999 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000210198_100012094781 [0,1,0,0,0,0|1,0,2]=4 4000 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000694772_100000210206 [0,1,0,0,0,0|1,0,2]=4 4001 B11R0.42 C#CCCCCCC(=O)C(C)F 1458a_100000062450_100012094781 [0,1,0,0,0,0|1,0,2]=4 4002 B11R0.42 C#CCCCCCC(=O)N(C)C 11a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 4003 B11R0.42 C#CCCCCCC(=O)N(C)C 1626a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 4004 B11R0.42 C#CCCCCCC(=O)N(C)C 240690a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 4005 B11R0.42 C#CCCCCCC(=O)N(C)C 527a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 4006 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [0,1,0,0,0,0|1,0,2]=4 4007 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [0,1,0,0,0,0|1,0,2]=4 4008 B11R0.42 C=C(Br)C(=O)NCCCCCC 11a_100000210581_100009813364 [0,1,0,0,0,0|2,0,1]=4 4009 B11R0.42 C=C(Br)C(=O)NCCCCCC 1626a_100000210581_100009813364 [0,1,0,0,0,0|2,0,1]=4 4010 B11R0.42 C=C(C)C(=O)CCCCCC#N 1458a_100000185857_100009813376 [0,1,0,0,0,0|2,0,1]=4 4011 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|1,0,0]=2 4012 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,1,0,0,0,0|2,0,0]=3 4013 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,1,0,0,0,0|2,0,0]=3 4014 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,1,0,0,0,0|2,0,0]=3 4015 B11R0.42 C=C(C)C(=O)CCOCCOC 1458a_100000185857_100000695917 [0,1,0,0,0,0|3,0,0]=4 4016 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,1,0,0,0,0|2,0,0]=3 4017 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,1,0,0,0,0|2,0,0]=3 4018 B11R0.42 C=C(C)C(=O)NCCCNCC 2230a_100016987756_100000210202 [0,1,0,0,0,0|3,0,0]=4 4019 B11R0.42 C=C(C)C(=O)NCCCOCC 11a_100000210961_100000185857 [0,1,0,0,0,0|3,0,0]=4 4020 B11R0.42 C=C(C)C(=O)NCCCOCC 1626a_100000210961_100000185857 [0,1,0,0,0,0|3,0,0]=4 4021 B11R0.42 C=C(C)C(=O)NCCNCCC 2230a_100102636416_100000210303 [0,1,0,0,0,0|3,0,0]=4 4022 B11R0.42 C=C(C)C(=O)NCCOCCC 1626a_100161115042_100000185857 [0,1,0,0,0,0|3,0,0]=4 4023 B11R0.42 C=C(C)C(=O)NCCSCCC 11a_100020603323_100000185857 [0,1,0,0,0,0|3,0,0]=4 4024 B11R0.42 C=C(C)C(=O)NNCCCCC 22a_100000694160_100000185857 [0,1,0,0,0,0|3,0,0]=4 4025 B11R0.42 C=C(C)C(=O)OCCCCOC 7a_100000065474_200000210301 [0,1,0,0,0,0|3,0,0]=4 4026 B11R0.42 C=C(C)C(=O)OCCCCO[13CH3] 7a_100000065474_200025704644 [0,1,0,0,0,0|3,0,0]=4 4027 B11R0.42 C=C(C)C(=O)OCCCOCC 7a_100000032641_100000210202 [0,1,0,0,0,0|3,0,0]=4 4028 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,1,0,0,0,0|3,0,0]=4 4029 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,1,0,0,0,0|3,0,0]=4 4030 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,1,0,0,0,0|3,0,0]=4 4031 B11R0.42 C=C(Cl)C(=O)NCCCCCC 11a_100000210581_100000039160 [0,1,0,0,0,0|2,0,1]=4 4032 B11R0.42 C=C(Cl)C(=O)NCCCCCC 1626a_100000210581_100000039160 [0,1,0,0,0,0|2,0,1]=4 4033 B11R0.42 C=C(F)C(=O)NCCCCCC 11a_100000210581_100000036797 [0,1,0,0,0,0|2,0,1]=4 4034 B11R0.42 C=C(F)C(=O)NCCCCCC 1626a_100000210581_100000036797 [0,1,0,0,0,0|2,0,1]=4 4035 B11R0.42 C=CCCCCCC(=O)C(=C)C 1458a_100000185857_100000700193 [0,1,0,0,0,0|1,0,2]=4 4036 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [0,1,0,0,0,0|1,0,2]=4 4037 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [0,1,0,0,0,0|1,0,2]=4 4038 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [0,1,0,0,0,0|1,0,2]=4 4039 B11R0.42 C=CCCCCCC(=O)N(C)C 11a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 4040 B11R0.42 C=CCCCCCC(=O)N(C)C 1626a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 4041 B11R0.42 C=CCCCCCC(=O)N(C)C 240690a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 4042 B11R0.42 C=CCCCCCC(=O)N(C)C 527a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 4043 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,1,0,0,0,0|1,0,2]=4 4044 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,1,0,0,0,0|1,0,2]=4 4045 B11R0.42 CC(=O)C(=O)CNCCCCO 34a_100000750430_100011261029 [0,1,0,0,0,0|3,0,0]=4 4046 B11R0.42 CC(=O)C(=O)COCCCCBr 34a_100011216708_100011261029 [0,1,0,0,0,0|3,0,0]=4 4047 B11R0.42 CC(=O)C(=O)COCCCCCl 34a_100000210776_100011261029 [0,1,0,0,0,0|3,0,0]=4 4048 B11R0.42 CC(=O)C(=O)COCCCCF 34a_100011995726_100011261029 [0,1,0,0,0,0|3,0,0]=4 4049 B11R0.42 CC(=O)C(=O)COCCCCI 34a_200012148704_100011261029 [0,1,0,0,0,0|3,0,0]=4 4050 B11R0.42 CC(=O)C(=O)COCCCCN 34a_100000750430_100011261029 [0,1,0,0,0,0|3,0,0]=4 4051 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100000729493_100011261029 [0,1,0,0,0,0|3,0,0]=4 4052 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100011261029_100000729493 [0,1,0,0,0,0|3,0,0]=4 4053 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100000210776_100011261029 [0,1,0,0,0,0|3,0,0]=4 4054 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100011261029_100000210776 [0,1,0,0,0,0|3,0,0]=4 4055 B11R0.42 CC(C)C(=O)CCCCCC#N 1458a_100000210198_100009813376 [0,1,0,0,0,0|2,0,1]=4 4056 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,1,0,0,0,0|2,0,0]=3 4057 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,1,0,0,0,0|2,0,0]=3 4058 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,1,0,0,0,0|2,0,0]=3 4059 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [0,1,0,0,0,0|3,0,0]=4 4060 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [0,1,0,0,0,0|3,0,0]=4 4061 B11R0.42 CC(C)C(=O)COCCCCBr 34a_100011216708_100000753385 [0,1,0,0,0,0|3,0,0]=4 4062 B11R0.42 CC(C)C(=O)COCCCCCl 34a_100000210776_100000753385 [0,1,0,0,0,0|3,0,0]=4 4063 B11R0.42 CC(C)C(=O)COCCCCCl 7a_100000210776_100000753385 [0,1,0,0,0,0|3,0,0]=4 4064 B11R0.42 CC(C)C(=O)COCCCCF 34a_100011995726_100000753385 [0,1,0,0,0,0|3,0,0]=4 4065 B11R0.42 CC(C)C(=O)COCCCCF 7a_100011995726_100000753385 [0,1,0,0,0,0|3,0,0]=4 4066 B11R0.42 CC(C)C(=O)COCCCCI 34a_200012148704_100000753385 [0,1,0,0,0,0|3,0,0]=4 4067 B11R0.42 CC(C)C(=O)COCCCCN 34a_100000750430_100000753385 [0,1,0,0,0,0|3,0,0]=4 4068 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000729493_100000753385 [0,1,0,0,0,0|3,0,0]=4 4069 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000753385_100000729493 [0,1,0,0,0,0|3,0,0]=4 4070 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [0,1,0,0,0,0|3,0,0]=4 4071 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [0,1,0,0,0,0|3,0,0]=4 4072 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [0,1,0,0,0,0|3,0,0]=4 4073 B11R0.42 CC(F)C(=O)CCCCCC#N 1458a_100000062450_100009813376 [0,1,0,0,0,0|2,0,1]=4 4074 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,1,0,0,0,0|2,0,0]=3 4075 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,1,0,0,0,0|2,0,0]=3 4076 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [0,1,0,0,0,0|3,0,0]=4 4077 B11R0.42 CCCC/C=C/CC(=O)C(C)C 1458a_200016282684_100000210206 [0,1,0,0,0,0|1,0,2]=4 4078 B11R0.42 CCCC/C=C/CC(=O)N(C)C 11a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 4079 B11R0.42 CCCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 4080 B11R0.42 CCCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 4081 B11R0.42 CCCC/C=C/CC(=O)N(C)C 527a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 4082 B11R0.42 CCCCCC#CC(=O)C(C)C 1458a_100011215388_100000210206 [0,1,0,0,0,0|1,0,2]=4 4083 B11R0.42 CCCCCC#CC(=O)N(C)C 240690a_100102631434_100011215388 [0,1,0,0,0,0|1,0,2]=4 4084 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,1,0,0,0,0|1,0,2]=4 4085 B11R0.42 CCCCCC=CC(=O)N(C)C 11a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 4086 B11R0.42 CCCCCC=CC(=O)N(C)C 1626a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 4087 B11R0.42 CCCCCC=CC(=O)N(C)C 240690a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 4088 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,0,0,0,0|1,0,0]=2 4089 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,0,0,0,0|1,0,0]=2 4090 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,0,0,0,0|1,0,0]=2 4091 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,1,0,0,0,0|2,0,0]=3 4092 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 4093 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 4094 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 4095 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 4096 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|1,0,0]=2 4097 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|1,0,0]=2 4098 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|2,0,1]=4 4099 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,1,0,0,0,0|2,0,1]=4 4100 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,1,0,0,0,0|2,0,1]=4 4101 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,1,0,0,0,0|2,0,1]=4 4102 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,1,0,0,0,0|3,0,0]=4 4103 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,1,0,0,0,0|3,0,0]=4 4104 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,1,0,0,0,0|3,0,0]=4 4105 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,1,0,0,0,0|3,0,0]=4 4106 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,1,0,0,0,0|3,0,0]=4 4107 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,1,0,0,0,0|3,0,0]=4 4108 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,1,0,0,0,0|3,0,0]=4 4109 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,1,0,0,0,0|3,0,0]=4 4110 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,1,0,0,0,0|2,0,0]=3 4111 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,1,0,0,0,0|2,0,0]=3 4112 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,1,0,0,0,0|2,0,0]=3 4113 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,1,0,0,0,0|2,0,0]=3 4114 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,1,0,0,0,0|2,0,0]=3 4115 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,1,0,0,0,0|2,0,0]=3 4116 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,1,0,0,0,0|2,0,0]=3 4117 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,1,0,0,0,0|2,0,0]=3 4118 B11R0.42 CCCCCCNC(=O)C(F)F 11a_100000210581_100000210393 [0,1,0,0,0,0|3,0,0]=4 4119 B11R0.42 CCCCCCNC(=O)C(F)F 1626a_100000210581_100000210393 [0,1,0,0,0,0|3,0,0]=4 4120 B11R0.42 CCCCCCNC(=O)C(F)F 240690a_100000210581_100000210393 [0,1,0,0,0,0|3,0,0]=4 4121 B11R0.42 CCCCCCNC(=O)C(F)F 527a_100000210581_100000210393 [0,1,0,0,0,0|3,0,0]=4 4122 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,1,0,0,0,0|3,0,0]=4 4123 B11R0.42 CCCCCCNC(=O)N(C)C 2708a_100000210581_100102631434 [0,1,0,0,0,0|2,0,0]=3 4124 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,1,0,0,0,0|2,0,0]=3 4125 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,1,0,0,0,0|2,0,0]=3 4126 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,1,0,0,0,0|2,0,0]=3 4127 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,1,0,0,0,0|2,0,0]=3 4128 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100000209983_100000185267 [0,1,0,0,0,0|2,0,0]=3 4129 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100015183351_100000210326 [0,1,0,0,0,0|2,0,0]=3 4130 B11R0.42 CCCCCNNC(=O)C(C)C 22a_100000694160_100000210198 [0,1,0,0,0,0|3,0,0]=4 4131 B11R0.42 CCCCCNNC(=O)C(C)F 22a_100000694160_100000062450 [0,1,0,0,0,0|3,0,0]=4 4132 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,1,0,0,0,0|3,0,0]=4 4133 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,1,0,0,0,0|3,0,0]=4 4134 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,1,0,0,0,0|2,0,0]=3 4135 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,1,0,0,0,0|2,0,0]=3 4136 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,1,0,0,0,0|2,0,0]=3 4137 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [0,1,0,0,0,0|2,0,0]=3 4138 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [0,1,0,0,0,0|2,0,0]=3 4139 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,1,0,0,0,0|2,0,0]=3 4140 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,1,0,0,0,0|2,0,0]=3 4141 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,1,0,0,0,0|2,0,0]=3 4142 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,1,0,0,0,0|2,0,0]=3 4143 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000210326_100000692301 [0,1,0,0,0,0|2,0,0]=3 4144 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000692301_100000210326 [0,1,0,0,0,0|2,0,0]=3 4145 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000102301_100000737620 [0,1,0,0,0,0|2,0,0]=3 4146 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000738053_100000210211 [0,1,0,0,0,0|2,0,0]=3 4147 B11R0.42 CCCCNCCC(=O)N(C)C 7a_106832991798_100000737620 [0,1,0,0,0,0|2,0,0]=3 4148 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,1,0,0,0,0|2,0,0]=3 4149 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,1,0,0,0,0|2,0,0]=3 4150 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,1,0,0,0,0|3,0,0]=4 4151 B11R0.42 CCCCOCCC(=O)N(C)C 34a_200000747469_100000210210 [0,1,0,0,0,0|2,0,0]=3 4152 B11R0.42 CCCCOCCC(=O)N(C)C 7a_100000210227_100000737620 [0,1,0,0,0,0|2,0,0]=3 4153 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,1,0,0,0,0|2,0,0]=3 4154 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,1,0,0,0,0|2,0,0]=3 4155 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000210211_100000737620 [0,1,0,0,0,0|2,0,0]=3 4156 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000737620_100000210210 [0,1,0,0,0,0|2,0,0]=3 4157 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000139345_100000210210 [0,1,0,0,0,0|3,0,0]=4 4158 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000210211_100000139345 [0,1,0,0,0,0|3,0,0]=4 4159 B11R0.42 CCCNCCCC(=O)N(C)C 2230a_200000744827_100000210303 [0,1,0,0,0,0|2,0,0]=3 4160 B11R0.42 CCCNCCNC(=O)C(C)C 2230a_100000752568_100000210303 [0,1,0,0,0,0|3,0,0]=4 4161 B11R0.42 CCCNCCNC(=O)C(C)C 34a_100000752568_100000210303 [0,1,0,0,0,0|3,0,0]=4 4162 B11R0.42 CCCOCCNC(=O)C(C)C 1626a_100161115042_100000210198 [0,1,0,0,0,0|3,0,0]=4 4163 B11R0.42 CCCOCCNC(=O)C(C)C 240690a_100161115042_100000210198 [0,1,0,0,0,0|3,0,0]=4 4164 B11R0.42 CCCOCCNC(=O)C(C)C 527a_100161115042_100000210198 [0,1,0,0,0,0|3,0,0]=4 4165 B11R0.42 CCCOCCNC(=O)C(C)F 1626a_100161115042_100000062450 [0,1,0,0,0,0|3,0,0]=4 4166 B11R0.42 CCCOCCNC(=O)C(C)F 240690a_100161115042_100000062450 [0,1,0,0,0,0|3,0,0]=4 4167 B11R0.42 CCCOCCNC(=O)C(C)F 527a_100161115042_100000062450 [0,1,0,0,0,0|3,0,0]=4 4168 B11R0.42 CCCOCCNC(=O)N(C)C 2708a_100161115042_100102631434 [0,1,0,0,0,0|3,0,0]=4 4169 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,1,0,0,0,0|3,0,0]=4 4170 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,1,0,0,0,0|3,0,0]=4 4171 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,1,0,0,0,0|3,0,0]=4 4172 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000210303_100000737642 [0,1,0,0,0,0|2,0,0]=3 4173 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000737642_100000210303 [0,1,0,0,0,0|2,0,0]=3 4174 B11R0.42 CCCSCCNC(=O)C(C)C 11a_100020603323_100000210198 [0,1,0,0,0,0|3,0,0]=4 4175 B11R0.42 CCCSCCNC(=O)C(C)C 240690a_100020603323_100000210198 [0,1,0,0,0,0|3,0,0]=4 4176 B11R0.42 CCCSCCNC(=O)C(C)C 527a_100020603323_100000210198 [0,1,0,0,0,0|3,0,0]=4 4177 B11R0.42 CCCSCCNC(=O)C(C)F 11a_100020603323_100000062450 [0,1,0,0,0,0|3,0,0]=4 4178 B11R0.42 CCCSCCNC(=O)C(C)F 240690a_100020603323_100000062450 [0,1,0,0,0,0|3,0,0]=4 4179 B11R0.42 CCCSCCNC(=O)C(C)F 527a_100020603323_100000062450 [0,1,0,0,0,0|3,0,0]=4 4180 B11R0.42 CCCSCCNC(=O)N(C)C 2708a_100020603323_100102631434 [0,1,0,0,0,0|3,0,0]=4 4181 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,1,0,0,0,0|3,0,0]=4 4182 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,1,0,0,0,0|3,0,0]=4 4183 B11R0.42 CCOCCCCC(=O)N(C)C 34a_100121572206_100000752486 [0,1,0,0,0,0|2,0,0]=3 4184 B11R0.42 CCOCCCNC(=O)C(C)C 11a_100000210961_100000210198 [0,1,0,0,0,0|3,0,0]=4 4185 B11R0.42 CCOCCCNC(=O)C(C)C 1626a_100000210961_100000210198 [0,1,0,0,0,0|3,0,0]=4 4186 B11R0.42 CCOCCCNC(=O)C(C)C 240690a_100000210961_100000210198 [0,1,0,0,0,0|3,0,0]=4 4187 B11R0.42 CCOCCCNC(=O)C(C)C 527a_100000210961_100000210198 [0,1,0,0,0,0|3,0,0]=4 4188 B11R0.42 CCOCCCNC(=O)C(C)F 11a_100000210961_100000062450 [0,1,0,0,0,0|3,0,0]=4 4189 B11R0.42 CCOCCCNC(=O)C(C)F 1626a_100000210961_100000062450 [0,1,0,0,0,0|3,0,0]=4 4190 B11R0.42 CCOCCCNC(=O)C(C)F 240690a_100000210961_100000062450 [0,1,0,0,0,0|3,0,0]=4 4191 B11R0.42 CCOCCCNC(=O)C(C)F 527a_100000210961_100000062450 [0,1,0,0,0,0|3,0,0]=4 4192 B11R0.42 CCOCCCNC(=O)N(C)C 2708a_100000210961_100102631434 [0,1,0,0,0,0|3,0,0]=4 4193 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [0,1,0,0,0,0|3,0,0]=4 4194 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [0,1,0,0,0,0|3,0,0]=4 4195 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [0,1,0,0,0,0|3,0,0]=4 4196 B11R0.42 CCOCCNCC(=O)C(=O)C 34a_102516460346_100011261029 [0,1,0,0,0,0|3,0,0]=4 4197 B11R0.42 CCOCCNCC(=O)C(C)C 2230a_102516460346_100000753385 [0,1,0,0,0,0|3,0,0]=4 4198 B11R0.42 CCOCCNCC(=O)C(C)C 34a_102516460346_100000753385 [0,1,0,0,0,0|3,0,0]=4 4199 B11R0.42 CCOCCNCC(=O)N(C)C 2230a_100015183351_100011215890 [0,1,0,0,0,0|3,0,0]=4 4200 B11R0.42 CCOCCNCC(=O)N(C)C 2230a_102516460346_100000185267 [0,1,0,0,0,0|3,0,0]=4 4201 B11R0.42 CCOCCNCC(=O)N(C)C 34a_102516460346_100000692301 [0,1,0,0,0,0|3,0,0]=4 4202 B11R0.42 CCOCCOCC(=O)C(=O)C 34a_100000210136_100011261029 [0,1,0,0,0,0|3,0,0]=4 4203 B11R0.42 CCOCCOCC(=O)C(C)C 34a_100000210136_100000753385 [0,1,0,0,0,0|3,0,0]=4 4204 B11R0.42 CCOCCOCC(=O)C(C)C 7a_100000210136_100000753385 [0,1,0,0,0,0|3,0,0]=4 4205 B11R0.42 CCOCCOCC(=O)N(C)C 34a_100000210136_100000692301 [0,1,0,0,0,0|3,0,0]=4 4206 B11R0.42 CCOCCOCC(=O)N(C)C 7a_100000210136_100000692301 [0,1,0,0,0,0|3,0,0]=4 4207 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100000210147_100011261029 [0,1,0,0,0,0|3,0,0]=4 4208 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100011261029_100011215890 [0,1,0,0,0,0|3,0,0]=4 4209 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000210147_100000753385 [0,1,0,0,0,0|3,0,0]=4 4210 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000753385_100011215890 [0,1,0,0,0,0|3,0,0]=4 4211 B11R0.42 CCOCCSCC(=O)N(C)C 62a_100000210147_100000692301 [0,1,0,0,0,0|3,0,0]=4 4212 B11R0.42 CCOCCSCC(=O)N(C)C 62a_100000692301_100011215890 [0,1,0,0,0,0|3,0,0]=4 4213 B11R0.42 CCOCSCCC(=O)N(C)C 62a_100000737620_100000739092 [0,1,0,0,0,0|3,0,0]=4 4214 B11R0.42 CCOCSCCC(=O)N(C)C 62a_100000739092_100000737620 [0,1,0,0,0,0|3,0,0]=4 4215 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000210202_100000752486 [0,1,0,0,0,0|2,0,0]=3 4216 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000752486_100000210202 [0,1,0,0,0,0|2,0,0]=3 4217 B11R0.42 CCSCCNCC(=O)C(C)C 2230a_100000106463_100000753385 [0,1,0,0,0,0|3,0,0]=4 4218 B11R0.42 CCSCCNCC(=O)N(C)C 2230a_100000106463_100000185267 [0,1,0,0,0,0|3,0,0]=4 4219 B11R0.42 CCSCCNCC(=O)N(C)C 2230a_100015183351_100000757381 [0,1,0,0,0,0|3,0,0]=4 4220 B11R0.42 CCSCCOCC(=O)C(=O)C 34a_100000212035_100011261029 [0,1,0,0,0,0|3,0,0]=4 4221 B11R0.42 CCSCCOCC(=O)C(C)C 34a_100000212035_100000753385 [0,1,0,0,0,0|3,0,0]=4 4222 B11R0.42 CCSCCOCC(=O)C(C)C 7a_100000212035_100000753385 [0,1,0,0,0,0|3,0,0]=4 4223 B11R0.42 CCSCCOCC(=O)N(C)C 34a_100000212035_100000692301 [0,1,0,0,0,0|3,0,0]=4 4224 B11R0.42 CCSCCOCC(=O)N(C)C 7a_100000212035_100000692301 [0,1,0,0,0,0|3,0,0]=4 4225 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100000757381_100011261029 [0,1,0,0,0,0|3,0,0]=4 4226 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100011261029_100000757381 [0,1,0,0,0,0|3,0,0]=4 4227 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000753385_100000757381 [0,1,0,0,0,0|3,0,0]=4 4228 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000757381_100000753385 [0,1,0,0,0,0|3,0,0]=4 4229 B11R0.42 CCSCCSCC(=O)N(C)C 62a_100000692301_100000757381 [0,1,0,0,0,0|3,0,0]=4 4230 B11R0.42 CCSCCSCC(=O)N(C)C 62a_100000757381_100000692301 [0,1,0,0,0,0|3,0,0]=4 4231 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,1,0,0,0,0|2,0,0]=3 4232 B11R0.42 CN(C)C(=O)CCCCSCF 62a_100000752486_100015361967 [0,1,0,0,0,0|3,0,0]=4 4233 B11R0.42 CN(C)C(=O)CCCCSCF 62a_100015361967_100000752486 [0,1,0,0,0,0|3,0,0]=4 4234 B11R0.42 CN(C)C(=O)CCCNCCF 2230a_200000744827_100011217306 [0,1,0,0,0,0|3,0,0]=4 4235 B11R0.42 CN(C)C(=O)CCCNCCO 2230a_100016997473_100000737642 [0,1,0,0,0,0|3,0,0]=4 4236 B11R0.42 CN(C)C(=O)CCCNCCO 2230a_200000744827_100000211926 [0,1,0,0,0,0|3,0,0]=4 4237 B11R0.42 CN(C)C(=O)CCCSCCF 62a_100000737642_100011217306 [0,1,0,0,0,0|3,0,0]=4 4238 B11R0.42 CN(C)C(=O)CCCSCCF 62a_100011217306_100000737642 [0,1,0,0,0,0|3,0,0]=4 4239 B11R0.42 CN(C)C(=O)CCCSCCO 62a_100000211926_100000737642 [0,1,0,0,0,0|3,0,0]=4 4240 B11R0.42 CN(C)C(=O)CCCSCCO 62a_100000737642_100000211926 [0,1,0,0,0,0|3,0,0]=4 4241 B11R0.42 CN(C)C(=O)CCNCCCF 2230a_100000738053_100011934791 [0,1,0,0,0,0|3,0,0]=4 4242 B11R0.42 CN(C)C(=O)CCNCCCF 2230a_100015189416_100000737620 [0,1,0,0,0,0|3,0,0]=4 4243 B11R0.42 CN(C)C(=O)CCNCCCO 2230a_100000738053_100000230001 [0,1,0,0,0,0|3,0,0]=4 4244 B11R0.42 CN(C)C(=O)CCOCCCF 34a_200000747469_100011934791 [0,1,0,0,0,0|3,0,0]=4 4245 B11R0.42 CN(C)C(=O)CCOCCCO 34a_200000747469_100000230001 [0,1,0,0,0,0|3,0,0]=4 4246 B11R0.42 CN(C)C(=O)CCSCCCF 62a_100000737620_100011934791 [0,1,0,0,0,0|3,0,0]=4 4247 B11R0.42 CN(C)C(=O)CCSCCCF 62a_100011934791_100000737620 [0,1,0,0,0,0|3,0,0]=4 4248 B11R0.42 CN(C)C(=O)CCSCCCO 62a_100000737620_100011215043 [0,1,0,0,0,0|3,0,0]=4 4249 B11R0.42 CN(C)C(=O)CCSCCCO 62a_100011215043_100000737620 [0,1,0,0,0,0|3,0,0]=4 4250 B11R0.42 CN(C)C(=O)CNCCCCF 2230a_100015183351_100000729493 [0,1,0,0,0,0|3,0,0]=4 4251 B11R0.42 CN(C)C(=O)CNCCCCO 2230a_100000750430_100000185267 [0,1,0,0,0,0|3,0,0]=4 4252 B11R0.42 CN(C)C(=O)CNCCCCO 2230a_100015183351_100000210776 [0,1,0,0,0,0|3,0,0]=4 4253 B11R0.42 CN(C)C(=O)CNCCCCO 34a_100000750430_100000692301 [0,1,0,0,0,0|3,0,0]=4 4254 B11R0.42 CN(C)C(=O)COCCCCBr 34a_100011216708_100000692301 [0,1,0,0,0,0|3,0,0]=4 4255 B11R0.42 CN(C)C(=O)COCCCCCl 34a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 4256 B11R0.42 CN(C)C(=O)COCCCCCl 7a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 4257 B11R0.42 CN(C)C(=O)COCCCCF 34a_100011995726_100000692301 [0,1,0,0,0,0|3,0,0]=4 4258 B11R0.42 CN(C)C(=O)COCCCCF 7a_100011995726_100000692301 [0,1,0,0,0,0|3,0,0]=4 4259 B11R0.42 CN(C)C(=O)COCCCCI 34a_200012148704_100000692301 [0,1,0,0,0,0|3,0,0]=4 4260 B11R0.42 CN(C)C(=O)COCCCCN 34a_100000750430_100000692301 [0,1,0,0,0,0|3,0,0]=4 4261 B11R0.42 CN(C)C(=O)CSCCCCF 62a_100000692301_100000729493 [0,1,0,0,0,0|3,0,0]=4 4262 B11R0.42 CN(C)C(=O)CSCCCCF 62a_100000729493_100000692301 [0,1,0,0,0,0|3,0,0]=4 4263 B11R0.42 CN(C)C(=O)CSCCCCO 62a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 4264 B11R0.42 CN(C)C(=O)CSCCCCO 62a_100000692301_100000210776 [0,1,0,0,0,0|3,0,0]=4 4265 B11R0.42 CNCCCOCC(=O)C(=O)C 34a_100000213112_100011261029 [0,1,0,0,0,0|3,0,0]=4 4266 B11R0.42 CNCCCOCC(=O)C(C)C 34a_100000213112_100000753385 [0,1,0,0,0,0|3,0,0]=4 4267 B11R0.42 CNCCCOCC(=O)N(C)C 34a_100000213112_100000692301 [0,1,0,0,0,0|3,0,0]=4 4268 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,1,0,0,0,0|2,0,0]=3 4269 B11R0.42 COCCCCCC(=O)N(C)C 11a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 4270 B11R0.42 COCCCCCC(=O)N(C)C 1626a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 4271 B11R0.42 COCCCCCC(=O)N(C)C 240690a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 4272 B11R0.42 COCCCCCC(=O)N(C)C 527a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 4273 B11R0.42 COCCCNCC(=O)C(=O)C 34a_100150723488_100011261029 [0,1,0,0,0,0|3,0,0]=4 4274 B11R0.42 COCCCNCC(=O)C(C)C 34a_100150723488_100000753385 [0,1,0,0,0,0|3,0,0]=4 4275 B11R0.42 COCCCNCC(=O)N(C)C 2230a_100015183351_100000740836 [0,1,0,0,0,0|3,0,0]=4 4276 B11R0.42 COCCCNCC(=O)N(C)C 34a_100150723488_100000692301 [0,1,0,0,0,0|3,0,0]=4 4277 B11R0.42 COCCCOCC(=O)C(=O)C 34a_100000740835_100011261029 [0,1,0,0,0,0|3,0,0]=4 4278 B11R0.42 COCCCOCC(=O)C(C)C 34a_100000740835_100000753385 [0,1,0,0,0,0|3,0,0]=4 4279 B11R0.42 COCCCOCC(=O)N(C)C 34a_100000740835_100000692301 [0,1,0,0,0,0|3,0,0]=4 4280 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100000709357_100011261029 [0,1,0,0,0,0|3,0,0]=4 4281 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100011261029_100000709357 [0,1,0,0,0,0|3,0,0]=4 4282 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000709357_100000753385 [0,1,0,0,0,0|3,0,0]=4 4283 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000753385_100000709357 [0,1,0,0,0,0|3,0,0]=4 4284 B11R0.42 COCCCSCC(=O)N(C)C 62a_100000692301_100000709357 [0,1,0,0,0,0|3,0,0]=4 4285 B11R0.42 COCCCSCC(=O)N(C)C 62a_100000709357_100000692301 [0,1,0,0,0,0|3,0,0]=4 4286 B11R0.42 COCCNCCC(=O)N(C)C 2230a_100000209980_100000737620 [0,1,0,0,0,0|3,0,0]=4 4287 B11R0.42 COCCNCCC(=O)N(C)C 2230a_100000738053_100011201679 [0,1,0,0,0,0|3,0,0]=4 4288 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000210198_100000695917 [0,1,0,0,0,0|3,0,0]=4 4289 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000745395_100000210206 [0,1,0,0,0,0|3,0,0]=4 4290 B11R0.42 COCCOCCC(=O)C(C)F 1458a_100000062450_100000695917 [0,1,0,0,0,0|3,0,0]=4 4291 B11R0.42 COCCOCCC(=O)N(C)C 11a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 4292 B11R0.42 COCCOCCC(=O)N(C)C 1626a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 4293 B11R0.42 COCCOCCC(=O)N(C)C 240690a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 4294 B11R0.42 COCCOCCC(=O)N(C)C 34a_200000747469_100011201679 [0,1,0,0,0,0|3,0,0]=4 4295 B11R0.42 COCCOCCC(=O)N(C)C 527a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 4296 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [0,1,0,0,0,0|3,0,0]=4 4297 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [0,1,0,0,0,0|3,0,0]=4 4298 B11R0.42 COCCSCCC(=O)N(C)C 62a_100000233755_100000737620 [0,1,0,0,0,0|3,0,0]=4 4299 B11R0.42 COCCSCCC(=O)N(C)C 62a_100000737620_100000233755 [0,1,0,0,0,0|3,0,0]=4 4300 B11R0.42 COCNCCCC(=O)N(C)C 2230a_200000744827_100000766300 [0,1,0,0,0,0|3,0,0]=4 4301 B11R0.42 COCSCCCC(=O)N(C)C 62a_100000737642_100000766300 [0,1,0,0,0,0|3,0,0]=4 4302 B11R0.42 COCSCCCC(=O)N(C)C 62a_100000766300_100000737642 [0,1,0,0,0,0|3,0,0]=4 4303 B11R0.42 CSCCCNCC(=O)C(C)C 2230a_100000749238_100000753385 [0,1,0,0,0,0|3,0,0]=4 4304 B11R0.42 CSCCCNCC(=O)N(C)C 2230a_100000749238_100000185267 [0,1,0,0,0,0|3,0,0]=4 4305 B11R0.42 CSCCCOCC(=O)C(=O)C 34a_100000690336_100011261029 [0,1,0,0,0,0|3,0,0]=4 4306 B11R0.42 CSCCCOCC(=O)C(C)C 34a_100000690336_100000753385 [0,1,0,0,0,0|3,0,0]=4 4307 B11R0.42 CSCCCOCC(=O)C(C)C 7a_100000690336_100000753385 [0,1,0,0,0,0|3,0,0]=4 4308 B11R0.42 CSCCCOCC(=O)N(C)C 34a_100000690336_100000692301 [0,1,0,0,0,0|3,0,0]=4 4309 B11R0.42 CSCCCOCC(=O)N(C)C 7a_100000690336_100000692301 [0,1,0,0,0,0|3,0,0]=4 4310 B11R0.42 CSCCNCCC(=O)N(C)C 2230a_100000738053_100000751147 [0,1,0,0,0,0|3,0,0]=4 4311 B11R0.42 CSCCNCCC(=O)N(C)C 2230a_100020590264_100000737620 [0,1,0,0,0,0|3,0,0]=4 4312 B11R0.42 CSCCOCCC(=O)N(C)C 34a_200000747469_100000212216 [0,1,0,0,0,0|3,0,0]=4 4313 B11R0.42 CSCCOCCC(=O)N(C)C 7a_100000230434_100000737620 [0,1,0,0,0,0|3,0,0]=4 4314 B11R0.42 CSCCSCCC(=O)N(C)C 62a_100000212216_100000737620 [0,1,0,0,0,0|3,0,0]=4 4315 B11R0.42 CSCCSCCC(=O)N(C)C 62a_100000737620_100000751147 [0,1,0,0,0,0|3,0,0]=4 4316 B11R0.42 CSCNCCCC(=O)N(C)C 2230a_200000744827_100011218213 [0,1,0,0,0,0|3,0,0]=4 4317 B11R0.42 CSCSCCCC(=O)N(C)C 62a_100000737642_100011218213 [0,1,0,0,0,0|3,0,0]=4 4318 B11R0.42 CSCSCCCC(=O)N(C)C 62a_100011218213_100000737642 [0,1,0,0,0,0|3,0,0]=4 4319 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [0,1,0,0,0,0|2,0,1]=4 4320 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,1,0,0,0,0|2,0,0]=3 4321 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,1,0,0,0,0|2,0,0]=3 4322 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,1,0,0,0,0|3,0,0]=4 4323 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [0,1,0,0,0,0|2,0,1]=4 4324 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,1,0,0,0,0|2,0,0]=3 4325 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,1,0,0,0,0|2,0,0]=3 4326 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,1,0,0,0,0|3,0,0]=4 4327 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,1,0,0,0,0|3,0,0]=4 4328 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,1,0,0,0,0|3,0,0]=4 4329 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,1,0,0,0,0|2,0,1]=4 4330 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,1,0,0,0,0|2,0,1]=4 4331 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,1,0,0,0,0|1,0,1]=3 4332 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000046972_200000210301 [0,1,0,0,0,0|1,1,1]=4 4333 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000210301_200000046972 [0,1,0,0,0,0|1,1,1]=4 4334 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200000046972_200025704644 [0,1,0,0,0,0|1,1,1]=4 4335 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200025704644_200000046972 [0,1,0,0,0,0|1,1,1]=4 4336 B11R0.49 CCCCCCNS(=O)(=O)CC 270084a_100000210581_100000211323 [0,1,0,0,0,0|3,0,0]=4 4337 B11R0.49 CCCCCCNS(=O)(=O)CC 274078a_100000210581_100000211323 [0,1,0,0,0,0|3,0,0]=4 4338 B11R0.49 CCCCCCNS(=O)(=O)CC 40a_100000210581_100000053943 [0,1,0,0,0,0|3,0,0]=4 4339 B11R0.49 CCCCCNCC(C)(C)OC 2230a_100000763424_100000210326 [0,1,0,0,0,0|2,0,1]=4 4340 B11R0.49 CCCCCOCC(C)(C)OC 34a_100000210253_100000701081 [0,1,0,0,0,0|2,0,1]=4 4341 B11R0.49 CCCCCSCC(C)(C)OC 62a_100000210326_100000701081 [0,1,0,0,0,0|2,0,1]=4 4342 B11R0.49 CCCCCSCC(C)(C)OC 62a_100000701081_100000210326 [0,1,0,0,0,0|2,0,1]=4 4343 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000102301_100000756660 [0,1,0,0,0,0|3,0,0]=4 4344 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210211 [0,1,0,0,0,0|3,0,0]=4 4345 B11R0.49 CCCCNCCS(=O)(=O)CC 34a_100000751051_100000210210 [0,1,0,0,0,0|3,0,0]=4 4346 B11R0.49 CCCCNCCS(=O)(=O)CC 7a_106832991798_100000756660 [0,1,0,0,0,0|3,0,0]=4 4347 B11R0.49 CCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210211 [0,1,0,0,0,0|3,0,0]=4 4348 B11R0.49 CCCCNCCS(=O)(=O)NC 34a_100000710037_100000210210 [0,1,0,0,0,0|3,0,0]=4 4349 B11R0.49 CCCCOCCC(C)(C)OC 7a_100000699976_100000210211 [0,1,0,0,0,0|2,0,1]=4 4350 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_100000210227_100000756660 [0,1,0,0,0,0|3,0,0]=4 4351 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_200011216379_100000210210 [0,1,0,0,0,0|3,0,0]=4 4352 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_100000210227_100000756660 [0,1,0,0,0,0|3,0,0]=4 4353 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_200011216379_100000210211 [0,1,0,0,0,0|3,0,0]=4 4354 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000210211_100000756660 [0,1,0,0,0,0|3,0,0]=4 4355 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000756660_100000210210 [0,1,0,0,0,0|3,0,0]=4 4356 B11R0.70 C#CCCC(=O)CCC(=O)OC 1458a_100000187943_100000753159 [0,1,0,0,0,0|0,0,3]=4 4357 B11R0.70 C#CCCN(C)CCC(=O)OC 269982a_100025711912_100000730999 [0,1,0,0,0,0|1,0,2]=4 4358 B11R0.70 C/C=C/CC(=O)CCC(=O)OC 1458a_100000187943_100102629194 [0,1,0,0,0,0|0,0,3]=4 4359 B11R0.70 C/C=C/CN(C)CCC(=O)OC 269982a_100025711912_100102629194 [0,1,0,0,0,0|1,0,2]=4 4360 B11R0.70 C=CCCC(=O)CCC(=O)OC 1458a_100000187943_100000754431 [0,1,0,0,0,0|0,0,3]=4 4361 B11R0.70 C=CCCC(C)OCC(=O)OC 34a_100000765329_100000747449 [0,1,0,0,0,0|1,0,2]=4 4362 B11R0.70 C=CCCC(C)OCC(=O)OC 7a_100000765329_100000747449 [0,1,0,0,0,0|1,0,2]=4 4363 B11R0.70 C=CCCN(C)CCC(=O)OC 2230a_100020639649_100000204255 [0,1,0,0,0,0|1,0,2]=4 4364 B11R0.70 C=CCCN(C)CCC(=O)OC 269982a_100020639649_100000204255 [0,1,0,0,0,0|1,0,2]=4 4365 B11R0.70 C=CCCN(C)CCC(=O)OC 269982a_100025711912_100000754431 [0,1,0,0,0,0|1,0,2]=4 4366 B11R0.70 CC#CCC(=O)CCC(=O)OC 1458a_100000187943_100000748600 [0,1,0,0,0,0|0,0,3]=4 4367 B11R0.70 CC=CCC(=O)CCC(=O)OC 1458a_100000187943_100000070051 [0,1,0,0,0,0|0,0,3]=4 4368 B11R0.70 CCC#CC(C)OCC(=O)OC 34a_100000033903_100000747449 [0,1,0,0,0,0|1,0,2]=4 4369 B11R0.70 CCC#CC(C)OCC(=O)OC 7a_100000033903_100000747449 [0,1,0,0,0,0|1,0,2]=4 4370 B11R0.70 CCC(=O)CCN(C)CCOC 1458a_200103286627_100000210202 [0,1,0,0,0,0|3,0,0]=4 4371 B11R0.70 CCC(=O)COC(C)CCCCl 7a_200000718107_100000747405 [0,1,0,0,0,0|3,0,0]=4 4372 B11R0.70 CCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210414 [0,1,0,0,0,0|3,0,0]=4 4373 B11R0.70 CCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210414 [0,1,0,0,0,0|3,0,0]=4 4374 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [0,1,0,0,0,0|1,0,1]=3 4375 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,1,0,0,0,0|0,0,1]=2 4376 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [0,1,0,0,0,0|2,0,1]=4 4377 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [0,1,0,0,0,0|2,0,1]=4 4378 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [0,1,0,0,0,0|1,0,1]=3 4379 B11R0.70 CCCCC(=O)NCC(=O)NC 11a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 4380 B11R0.70 CCCCC(=O)NCC(=O)NC 240690a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 4381 B11R0.70 CCCCC(=O)NCC(=O)NC 527a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 4382 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [0,1,0,0,0,0|1,0,1]=3 4383 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,1,0,0,0,0|1,0,0]=2 4384 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,1,0,0,0,0|2,0,0]=3 4385 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,1,0,0,0,0|1,0,0]=2 4386 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 4387 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 4388 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 4389 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [0,1,0,0,0,0|2,0,0]=3 4390 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [0,1,0,0,0,0|2,0,0]=3 4391 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [0,1,0,0,0,0|2,0,0]=3 4392 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [0,1,0,0,0,0|1,0,0]=2 4393 B11R0.70 CCCCC(C)NC[C@@H](C)OC 2230a_100020591295_200011215066 [0,1,0,0,0,0|2,0,1]=4 4394 B11R0.70 CCCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000210087 [0,1,0,0,0,0|2,0,1]=4 4395 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,1,0,0,0,0|2,0,0]=3 4396 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,1,0,0,0,0|2,0,0]=3 4397 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [0,1,0,0,0,0|2,0,0]=3 4398 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [0,1,0,0,0,0|2,0,0]=3 4399 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [0,1,0,0,0,0|2,0,0]=3 4400 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,1,0,0,0,0|1,0,0]=2 4401 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,1,0,0,0,0|1,0,0]=2 4402 B11R0.70 CCCCC(C)OCC(C)OC 34a_100000690652_200011215066 [0,1,0,0,0,0|2,0,1]=4 4403 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,1,0,0,0,0|2,0,0]=3 4404 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,1,0,0,0,0|2,0,0]=3 4405 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [0,1,0,0,0,0|2,0,0]=3 4406 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [0,1,0,0,0,0|2,0,0]=3 4407 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [0,1,0,0,0,0|1,0,0]=2 4408 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [0,1,0,0,0,0|1,0,0]=2 4409 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [0,1,0,0,0,0|2,0,0]=3 4410 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [0,1,0,0,0,0|2,0,0]=3 4411 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [0,1,0,0,0,0|2,0,0]=3 4412 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [0,1,0,0,0,0|2,0,0]=3 4413 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [0,1,0,0,0,0|1,0,0]=2 4414 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [0,1,0,0,0,0|1,0,0]=2 4415 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [0,1,0,0,0,0|1,0,0]=2 4416 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [0,1,0,0,0,0|2,0,1]=4 4417 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 4418 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [0,1,0,0,0,0|2,0,1]=4 4419 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 4420 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 4421 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 4422 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 4423 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 4424 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 4425 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [0,1,0,0,0,0|1,0,1]=3 4426 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [0,1,0,0,0,0|1,0,1]=3 4427 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [0,1,0,0,0,0|1,0,1]=3 4428 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [0,1,0,0,0,0|1,0,1]=3 4429 B11R0.70 CCCNC(=O)CNC(=O)OC 11a_100020643023_100000215747 [0,1,0,0,0,0|2,0,1]=4 4430 B11R0.70 CCCNC(=O)CNC(=O)OC 1626a_100020643023_100000215747 [0,1,0,0,0,0|2,0,1]=4 4431 B11R0.70 CCCNC(=O)CNC(=O)OC 240690a_100020643023_100000215747 [0,1,0,0,0,0|2,0,1]=4 4432 B11R0.70 CCCNC(=O)CNC(=O)OC 527a_100020643023_100000215747 [0,1,0,0,0,0|2,0,1]=4 4433 B11R0.70 CCCOC(C)CNC(=O)CC 11a_100015185124_100000210414 [0,1,0,0,0,0|3,0,0]=4 4434 B11R0.70 CCCOC(C)CNC(=O)CC 1626a_100015185124_100000210414 [0,1,0,0,0,0|3,0,0]=4 4435 B11R0.70 CCCOC(C)CNC(=O)CC 240690a_100015185124_100000210414 [0,1,0,0,0,0|3,0,0]=4 4436 B11R0.70 CCCOC(C)CNC(=O)CC 527a_100015185124_100000210414 [0,1,0,0,0,0|3,0,0]=4 4437 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100015185124_106832991635 [0,1,0,0,0,0|3,0,0]=4 4438 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100102657272_100015185124 [0,1,0,0,0,0|3,0,0]=4 4439 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100015185124_100102657272 [0,1,0,0,0,0|3,0,0]=4 4440 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100102657272_100015185124 [0,1,0,0,0,0|3,0,0]=4 4441 B11R0.70 CCCOC(C)CNC(=O)NC 512a_100015185124_100102657272 [0,1,0,0,0,0|3,0,0]=4 4442 B11R0.70 CCCOC(C)CNC(=O)NC 512a_106832991638_100015185124 [0,1,0,0,0,0|3,0,0]=4 4443 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [0,1,0,0,0,0|1,0,1]=3 4444 B11R0.70 CCNCC(=O)NCC(=O)OC 2230a_100015525214_100000182966 [0,1,0,0,0,0|2,0,1]=4 4445 B11R0.70 CCNN=C(C)CCC(=O)OC 4a_100000756455_100000756497 [0,1,0,0,0,0|2,0,1]=4 4446 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,1,0,0,0,0|1,0,1]=3 4447 B11R0.70 CCOCC(=O)NCC(=O)OC 188690a_100000185156_100000211967 [0,1,0,0,0,0|2,0,1]=4 4448 B11R0.70 CCOCC(=O)NCC(=O)OC 34a_100121572206_100000182966 [0,1,0,0,0,0|2,0,1]=4 4449 B11R0.70 CCOCC(C)OCC(=O)CC 7a_100000718985_100000747405 [0,1,0,0,0,0|3,0,0]=4 4450 B11R0.70 CCOCC(C)OCC(=O)NC 34a_100000718985_100000183359 [0,1,0,0,0,0|3,0,0]=4 4451 B11R0.70 CCOCC(C)OCC(=O)NC 7a_100000718985_100000183359 [0,1,0,0,0,0|3,0,0]=4 4452 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [0,1,0,0,0,0|2,0,0]=3 4453 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [0,1,0,0,0,0|2,0,0]=3 4454 B11R0.70 CCOCC(O)CNC(=O)CC 240690a_102515437182_100000210414 [0,1,0,0,0,0|3,0,0]=4 4455 B11R0.70 CCOCC(O)CNC(=O)CC 527a_102515437182_100000210414 [0,1,0,0,0,0|3,0,0]=4 4456 B11R0.70 CCOCC(O)CNC(=O)NC 2708a_100102657272_102515437182 [0,1,0,0,0,0|3,0,0]=4 4457 B11R0.70 CCOCC(O)CNC(=O)NC 273464a_100102657272_102515437182 [0,1,0,0,0,0|3,0,0]=4 4458 B11R0.70 CCOCC(O)CNC(=O)NC 273464a_102515437182_100102657272 [0,1,0,0,0,0|3,0,0]=4 4459 B11R0.70 CCOCC(O)CNC(=O)NC 512a_102515437182_100102657272 [0,1,0,0,0,0|3,0,0]=4 4460 B11R0.70 CCOCN(C)CCC(=O)NC 269982a_100000750875_100000739092 [0,1,0,0,0,0|3,0,0]=4 4461 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [0,1,0,0,0,0|2,0,0]=3 4462 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [0,1,0,0,0,0|1,0,1]=3 4463 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [0,1,0,0,0,0|1,0,1]=3 4464 B11R0.70 CCSCC(=O)NCC(=O)OC 188690a_100000185156_100000230394 [0,1,0,0,0,0|2,0,1]=4 4465 B11R0.70 CCSCC(=O)NCC(=O)OC 62a_100000182966_100000210202 [0,1,0,0,0,0|2,0,1]=4 4466 B11R0.70 CCSCC(=O)NCC(=O)OC 62a_100000210202_100000182966 [0,1,0,0,0,0|2,0,1]=4 4467 B11R0.70 CCSCC(C)NCC(=O)NC 270004a_100000693194_200011216171 [0,1,0,0,0,0|3,0,0]=4 4468 B11R0.70 CNC(=O)CCC(=O)CCCF 1458a_100011309844_100011934791 [0,1,0,0,0,0|2,0,1]=4 4469 B11R0.70 CNC(=O)CCC(=O)CCCO 1458a_100011309844_100011215043 [0,1,0,0,0,0|2,0,1]=4 4470 B11R0.70 CNC(=O)CCC(=O)CCOC 1458a_100011309844_100000233755 [0,1,0,0,0,0|2,0,1]=4 4471 B11R0.70 CNC(=O)CCC(=O)CCSC 1458a_100011309844_100000751147 [0,1,0,0,0,0|2,0,1]=4 4472 B11R0.70 CNC(=O)CCN(C)CCCF 2230a_100000750875_100011934791 [0,1,0,0,0,0|3,0,0]=4 4473 B11R0.70 CNC(=O)CCN(C)CCCF 269982a_100000750875_100011934791 [0,1,0,0,0,0|3,0,0]=4 4474 B11R0.70 CNC(=O)CCN(C)CCCO 2230a_100000213112_100000737683 [0,1,0,0,0,0|3,0,0]=4 4475 B11R0.70 CNC(=O)CCN(C)CCCO 2230a_100000750875_100000230001 [0,1,0,0,0,0|3,0,0]=4 4476 B11R0.70 CNC(=O)CCN(C)CCCO 269982a_100000213112_100000737683 [0,1,0,0,0,0|3,0,0]=4 4477 B11R0.70 CNC(=O)CCN(C)CCCO 269982a_100000750875_100011215043 [0,1,0,0,0,0|3,0,0]=4 4478 B11R0.70 CNC(=O)CCN(C)CCOC 2230a_100000743101_100000737683 [0,1,0,0,0,0|3,0,0]=4 4479 B11R0.70 CNC(=O)CCN(C)CCOC 2230a_100000750875_100011201679 [0,1,0,0,0,0|3,0,0]=4 4480 B11R0.70 CNC(=O)CCN(C)CCOC 240690a_100102657272_200103286627 [0,1,0,0,0,0|3,0,0]=4 4481 B11R0.70 CNC(=O)CCN(C)CCOC 269982a_100000743101_100000737683 [0,1,0,0,0,0|3,0,0]=4 4482 B11R0.70 CNC(=O)CCN(C)CCOC 269982a_100000750875_100000233755 [0,1,0,0,0,0|3,0,0]=4 4483 B11R0.70 CNC(=O)CCN(C)CCSC 2230a_100000686725_100000737683 [0,1,0,0,0,0|3,0,0]=4 4484 B11R0.70 CNC(=O)CCN(C)CCSC 2230a_100000750875_100000751147 [0,1,0,0,0,0|3,0,0]=4 4485 B11R0.70 CNC(=O)CCN(C)CCSC 269982a_100000686725_100000737683 [0,1,0,0,0,0|3,0,0]=4 4486 B11R0.70 CNC(=O)CCN(C)CCSC 269982a_100000750875_100000212216 [0,1,0,0,0,0|3,0,0]=4 4487 B11R0.70 CNC(=O)CNC(C)CCOC 270004a_100000693194_100000742357 [0,1,0,0,0,0|3,0,0]=4 4488 B11R0.70 CNC(=O)CNC(C)CCSC 270004a_100000693194_100011217047 [0,1,0,0,0,0|3,0,0]=4 4489 B11R0.70 CNC(=O)COC(C)CCCCl 34a_200000718107_100000183359 [0,1,0,0,0,0|3,0,0]=4 4490 B11R0.70 CNC(=O)COC(C)CCCCl 7a_200000718107_100000183359 [0,1,0,0,0,0|3,0,0]=4 4491 B11R0.70 CNC(=O)NC[C@H](C)CCCO 2708a_100102657272_100160569302 [0,1,0,0,0,0|3,0,0]=4 4492 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100102657272_100160569302 [0,1,0,0,0,0|3,0,0]=4 4493 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100102657272 [0,1,0,0,0,0|3,0,0]=4 4494 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_100160569302_100102657272 [0,1,0,0,0,0|3,0,0]=4 4495 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_106832991638_100160569302 [0,1,0,0,0,0|3,0,0]=4 4496 B11R0.70 COC(=O)CCC(=O)CCC#N 1458a_100000187943_100011215226 [0,1,0,0,0,0|1,0,2]=4 4497 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [0,1,0,0,0,0|1,0,1]=3 4498 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [0,1,0,0,0,0|1,0,1]=3 4499 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [0,1,0,0,0,0|1,0,1]=3 4500 B11R0.70 COC(=O)CCC(=O)CSCF 62a_100000691467_100015361967 [0,1,0,0,0,0|2,0,1]=4 4501 B11R0.70 COC(=O)CCC(=O)CSCF 62a_100015361967_100000691467 [0,1,0,0,0,0|2,0,1]=4 4502 B11R0.70 COC(=O)CCC(=O)NCCF 11a_100000724931_100000187943 [0,1,0,0,0,0|2,0,1]=4 4503 B11R0.70 COC(=O)CCC(=O)NCCF 1626a_100000724931_100000187943 [0,1,0,0,0,0|2,0,1]=4 4504 B11R0.70 COC(=O)CCC(=O)NCCF 240690a_100000724931_100000187943 [0,1,0,0,0,0|2,0,1]=4 4505 B11R0.70 COC(=O)CCC(=O)NCCF 527a_100000724931_100000187943 [0,1,0,0,0,0|2,0,1]=4 4506 B11R0.70 COC(=O)CCC(=O)NCCO 240690a_100000210304_100000187943 [0,1,0,0,0,0|2,0,1]=4 4507 B11R0.70 COC(=O)CCC(=O)NCCO 527a_100000210304_100000187943 [0,1,0,0,0,0|2,0,1]=4 4508 B11R0.70 COC(=O)CCN(C)CCC#N 2230a_100000184479_100000204255 [0,1,0,0,0,0|2,0,1]=4 4509 B11R0.70 COC(=O)CCN(C)CCC#N 269982a_100025711912_100011215226 [0,1,0,0,0,0|2,0,1]=4 4510 B11R0.70 COC(=O)CCN(C)CCCF 269982a_100025711912_100011934791 [0,1,0,0,0,0|2,0,0]=3 4511 B11R0.70 COC(=O)CCN(C)CCCO 2230a_100000213112_100000204255 [0,1,0,0,0,0|2,0,0]=3 4512 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100000213112_100000204255 [0,1,0,0,0,0|2,0,0]=3 4513 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100025711912_100011215043 [0,1,0,0,0,0|2,0,0]=3 4514 B11R0.70 COC(=O)CCN(C)CCSC 2230a_100000686725_100000204255 [0,1,0,0,0,0|2,0,0]=3 4515 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100000686725_100000204255 [0,1,0,0,0,0|2,0,0]=3 4516 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100025711912_100000212216 [0,1,0,0,0,0|2,0,0]=3 4517 B11R0.70 COC(=O)CNC(=O)CCSC 188690a_100000185156_100000174002 [0,1,0,0,0,0|2,0,1]=4 4518 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [0,1,0,0,0,0|2,0,0]=3 4519 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [0,1,0,0,0,0|2,0,0]=3 4520 B11R0.70 COC(=O)NCC(=O)CCCF 1458a_100000215747_100011934791 [0,1,0,0,0,0|2,0,1]=4 4521 B11R0.70 COC(=O)NCC(=O)CCCO 1458a_100000215747_100011215043 [0,1,0,0,0,0|2,0,1]=4 4522 B11R0.70 COC(=O)NCC(=O)CCSC 1458a_100000215747_100000751147 [0,1,0,0,0,0|2,0,1]=4 4523 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [0,1,0,0,0,0|1,0,1]=3 4524 B11R0.70 COCCC(=O)CNC(=O)OC 1458a_100000215747_100000233755 [0,1,0,0,0,0|2,0,1]=4 4525 B11R0.70 COCCC(=O)NCC(=O)OC 188690a_100000185156_100000749529 [0,1,0,0,0,0|2,0,1]=4 4526 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [0,1,0,0,0,0|2,0,0]=3 4527 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [0,1,0,0,0,0|2,0,0]=3 4528 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [0,1,0,0,0,0|2,0,0]=3 4529 B11R0.106 C#CC(=O)CCCCC(=O)OC 1458a_100000211873_100000204269 [0,1,0,0,0,0|0,0,3]=4 4530 B11R0.106 C#CC(C)NCCCC(=O)OC 2230a_100000707721_100011218270 [0,1,0,0,0,0|1,0,2]=4 4531 B11R0.106 C#CC(C)NCCCC(=O)OC 34a_100000707721_100000742333 [0,1,0,0,0,0|1,0,2]=4 4532 B11R0.106 C#CC(C)SCCCC(=O)OC 62a_200000035995_100011218270 [0,1,0,0,0,0|1,0,2]=4 4533 B11R0.106 C#C[C@@H](C)OCCCC(=O)OC 34a_100009815206_100000742333 [0,1,0,0,0,0|1,0,2]=4 4534 B11R0.106 C#C[C@@H](C)OCCCC(=O)OC 7a_100009815206_100011218270 [0,1,0,0,0,0|1,0,2]=4 4535 B11R0.106 C=CC(=O)CCCCC(=O)OC 1458a_100000185746_100000204269 [0,1,0,0,0,0|0,0,3]=4 4536 B11R0.106 C=CC(C)COCCC(=O)OC 34a_100011215527_100000742370 [0,1,0,0,0,0|1,0,2]=4 4537 B11R0.106 C=CC(C)COCCC(=O)OC 7a_100011215527_100000204255 [0,1,0,0,0,0|1,0,2]=4 4538 B11R0.106 C=CC(C)OCCCC(=O)OC 34a_100000695699_100000742333 [0,1,0,0,0,0|1,0,2]=4 4539 B11R0.106 C=CC(C)SCCCC(=O)OC 62a_100011215867_100011218270 [0,1,0,0,0,0|1,0,2]=4 4540 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000204255_100000730141 [0,1,0,0,0,0|1,0,2]=4 4541 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000730141_100000204255 [0,1,0,0,0,0|1,0,2]=4 4542 B11R0.106 C=C[C@H](N)COCCC(=O)OC 34a_100016989147_100000742370 [0,1,0,0,0,0|1,0,2]=4 4543 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,1,0,0,0,0|0,0,1]=2 4544 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,1,0,0,0,0|0,0,1]=2 4545 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,1,0,0,0,0|1,0,1]=3 4546 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,1,0,0,0,0|1,0,1]=3 4547 B11R0.106 CCC(=O)COCCC(=O)NC 34a_100000725409_100012179268 [0,1,0,0,0,0|2,0,1]=4 4548 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,1,0,0,0,0|1,0,1]=3 4549 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,1,0,0,0,0|2,0,0]=3 4550 B11R0.106 CCC(=O)COCCC(C)OC 7a_100000764861_100000747405 [0,1,0,0,0,0|3,0,0]=4 4551 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000737683_100000747405 [0,1,0,0,0,0|2,0,1]=4 4552 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000747405_100000737683 [0,1,0,0,0,0|2,0,1]=4 4553 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [0,1,0,0,0,0|1,0,1]=3 4554 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [0,1,0,0,0,0|1,0,1]=3 4555 B11R0.106 CCC(=O)CSCOC(=O)OC 62a_100000747405_100000139417 [0,1,0,0,0,0|2,0,1]=4 4556 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 4557 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 4558 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 4559 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,1,0,0,0,0|1,0,1]=3 4560 B11R0.106 CCC(=O)NCCNC(C)CC 34a_100132302217_100011215416 [0,1,0,0,0,0|3,0,0]=4 4561 B11R0.106 CCC(=O)NCCOC(C)CC 34a_200000158885_100011215416 [0,1,0,0,0,0|3,0,0]=4 4562 B11R0.106 CCC(=O)NCCOC(C)CC 7a_200000158885_100000758301 [0,1,0,0,0,0|3,0,0]=4 4563 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [0,1,0,0,0,0|3,0,0]=4 4564 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [0,1,0,0,0,0|2,0,0]=3 4565 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,1,0,0,0,0|1,0,0]=2 4566 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [0,1,0,0,0,0|2,0,0]=3 4567 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,1,0,0,0,0|1,0,0]=2 4568 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100000738227_100000748023 [0,1,0,0,0,0|2,0,0]=3 4569 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100020588543_100000737683 [0,1,0,0,0,0|2,0,0]=3 4570 B11R0.106 CCC(C)CNCCC(=O)NC 270004a_100000738227_100000243153 [0,1,0,0,0,0|2,0,0]=3 4571 B11R0.106 CCC(C)CNCCC(=O)NC 34a_100000738227_100000748023 [0,1,0,0,0,0|2,0,0]=3 4572 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [0,1,0,0,0,0|1,0,0]=2 4573 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [0,1,0,0,0,0|2,0,0]=3 4574 B11R0.106 CCC(C)COCCC(C)OC 7a_100000764861_100000748023 [0,1,0,0,0,0|2,0,1]=4 4575 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000737683_100000748023 [0,1,0,0,0,0|2,0,0]=3 4576 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000748023_100000737683 [0,1,0,0,0,0|2,0,0]=3 4577 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [0,1,0,0,0,0|1,0,0]=2 4578 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [0,1,0,0,0,0|1,0,0]=2 4579 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [0,1,0,0,0,0|2,0,0]=3 4580 B11R0.106 CCC(C)NC/C=C/C(=O)OC 2230a_100000209981_100000742655 [0,1,0,0,0,0|1,0,2]=4 4581 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000209981_100000741757 [0,1,0,0,0,0|2,0,0]=3 4582 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000740002_100000758301 [0,1,0,0,0,0|2,0,0]=3 4583 B11R0.106 CCC(C)NCCCC(=O)NC 34a_100000740002_100011215416 [0,1,0,0,0,0|2,0,0]=3 4584 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [0,1,0,0,0,0|1,0,0]=2 4585 B11R0.106 CCC(C)NCCNC(=O)NC 34a_100015205895_100011215416 [0,1,0,0,0,0|3,0,0]=4 4586 B11R0.106 CCC(C)NN=CCC(=O)OC 4a_100000718999_200011552997 [0,1,0,0,0,0|2,0,1]=4 4587 B11R0.106 CCC(C)OC/C=C/C(=O)OC 7a_100000210228_100000742655 [0,1,0,0,0,0|1,0,2]=4 4588 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [0,1,0,0,0,0|2,0,0]=3 4589 B11R0.106 CCC(C)OCCCC(=O)NN 34a_100000211488_100011215416 [0,1,0,0,0,0|3,0,0]=4 4590 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,1,0,0,0,0|1,0,0]=2 4591 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [0,1,0,0,0,0|2,0,0]=3 4592 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,1,0,0,0,0|3,0,0]=4 4593 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,1,0,0,0,0|2,0,0]=3 4594 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000758301 [0,1,0,0,0,0|1,0,2]=4 4595 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000758301_100000742655 [0,1,0,0,0,0|1,0,2]=4 4596 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000741757_100000758301 [0,1,0,0,0,0|2,0,0]=3 4597 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000758301_100000741757 [0,1,0,0,0,0|2,0,0]=3 4598 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [0,1,0,0,0,0|1,0,0]=2 4599 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [0,1,0,0,0,0|1,0,0]=2 4600 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,1,0,0,0,0|3,0,0]=4 4601 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,1,0,0,0,0|3,0,0]=4 4602 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100000738227_100011218378 [0,1,0,0,0,0|2,0,0]=3 4603 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100011218483_100000737683 [0,1,0,0,0,0|2,0,0]=3 4604 B11R0.106 CCC(O)CNCCC(=O)NC 34a_100000738227_100011218378 [0,1,0,0,0,0|2,0,0]=3 4605 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,1,0,0,0,0|1,0,0]=2 4606 B11R0.106 CCC(O)CNN=CC(=O)OC 4a_100015206393_200011823558 [0,1,0,0,0,0|2,0,1]=4 4607 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [0,1,0,0,0,0|2,0,0]=3 4608 B11R0.106 CCC(O)COCCC(C)OC 7a_100000764861_100011218378 [0,1,0,0,0,0|2,0,1]=4 4609 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100000737683_100011218378 [0,1,0,0,0,0|2,0,0]=3 4610 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100011218378_100000737683 [0,1,0,0,0,0|2,0,0]=3 4611 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,1,0,0,0,0|1,0,0]=2 4612 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,1,0,0,0,0|1,0,0]=2 4613 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [0,1,0,0,0,0|2,0,0]=3 4614 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [0,1,0,0,0,0|1,0,0]=2 4615 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [0,1,0,0,0,0|1,0,0]=2 4616 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [0,1,0,0,0,0|2,0,0]=3 4617 B11R0.106 CC[C@H](C)CNCCC(=O)NC 2230a_100000738227_100009816398 [0,1,0,0,0,0|2,0,0]=3 4618 B11R0.106 CC[C@H](C)CNCCC(=O)NC 34a_100000738227_100009816398 [0,1,0,0,0,0|2,0,0]=3 4619 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [0,1,0,0,0,0|2,0,0]=3 4620 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [0,1,0,0,0,0|2,0,0]=3 4621 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,1,0,0,0,0|1,0,0]=2 4622 B11R0.106 CC[C@H](C)COCCC(C)OC 7a_100000764861_100009816398 [0,1,0,0,0,0|2,0,1]=4 4623 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100000737683_100009816398 [0,1,0,0,0,0|2,0,0]=3 4624 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100009816398_100000737683 [0,1,0,0,0,0|2,0,0]=3 4625 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [0,1,0,0,0,0|1,0,0]=2 4626 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [0,1,0,0,0,0|1,0,0]=2 4627 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [0,1,0,0,0,0|2,0,0]=3 4628 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,1,0,0,0,0|1,0,1]=3 4629 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,1,0,0,0,0|1,0,1]=3 4630 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,1,0,0,0,0|1,0,1]=3 4631 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,1,0,0,0,0|1,0,1]=3 4632 B11R0.106 CNC(=O)CCCNC(=O)OC 11a_106832991635_100000753017 [0,1,0,0,0,0|2,0,1]=4 4633 B11R0.106 CNC(=O)CCCNC(=O)OC 1626a_100102657272_100000753017 [0,1,0,0,0,0|2,0,1]=4 4634 B11R0.106 CNC(=O)CCCNC(=O)OC 240690a_100102657272_100000753017 [0,1,0,0,0,0|2,0,1]=4 4635 B11R0.106 CNC(=O)CCCNC(=O)OC 527a_100102657272_100000753017 [0,1,0,0,0,0|2,0,1]=4 4636 B11R0.106 CNC(=O)CCCNC(C)CO 2230a_100000740002_100012180447 [0,1,0,0,0,0|3,0,0]=4 4637 B11R0.106 CNC(=O)CCCNC(C)CO 34a_100000740002_100012180447 [0,1,0,0,0,0|3,0,0]=4 4638 B11R0.106 CNC(=O)CCCN[C@H](C)CO 2230a_100000737577_100000741757 [0,1,0,0,0,0|3,0,0]=4 4639 B11R0.106 CNC(=O)CCCOC(C)CF 34a_100016041109_100000741757 [0,1,0,0,0,0|3,0,0]=4 4640 B11R0.106 CNC(=O)CCCOC(C)CF 7a_100016041109_100000741757 [0,1,0,0,0,0|3,0,0]=4 4641 B11R0.106 CNC(=O)CCCOC(C)CN 34a_100000210904_100000741757 [0,1,0,0,0,0|3,0,0]=4 4642 B11R0.106 CNC(=O)CCCSC(C)CO 62a_100012180447_100000741757 [0,1,0,0,0,0|3,0,0]=4 4643 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100000741757_100009879195 [0,1,0,0,0,0|3,0,0]=4 4644 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100009879195_100000741757 [0,1,0,0,0,0|3,0,0]=4 4645 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100000741757_100016084084 [0,1,0,0,0,0|3,0,0]=4 4646 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100016084084_100000741757 [0,1,0,0,0,0|3,0,0]=4 4647 B11R0.106 CNC(=O)CCNCC(=O)OC 2230a_100000738227_100000747449 [0,1,0,0,0,0|2,0,1]=4 4648 B11R0.106 CNC(=O)CCNCC(=O)OC 34a_100000738227_100000747449 [0,1,0,0,0,0|2,0,1]=4 4649 B11R0.106 CNC(=O)CCNCC(C)CO 34a_100000744482_100012179268 [0,1,0,0,0,0|3,0,0]=4 4650 B11R0.106 CNC(=O)CCNCC(O)CO 2230a_100000738227_100011219619 [0,1,0,0,0,0|3,0,0]=4 4651 B11R0.106 CNC(=O)CCNCC(O)CO 34a_100000738227_100011219619 [0,1,0,0,0,0|3,0,0]=4 4652 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 2230a_100000738227_100000059175 [0,1,0,0,0,0|3,0,0]=4 4653 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 34a_100000738227_100000059175 [0,1,0,0,0,0|3,0,0]=4 4654 B11R0.106 CNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737683 [0,1,0,0,0,0|3,0,0]=4 4655 B11R0.106 CNC(=O)CCNC[C@@H](F)CO 34a_100015665980_100012179268 [0,1,0,0,0,0|3,0,0]=4 4656 B11R0.106 CNC(=O)CCNC[C@@H](O)CF 2230a_100000738227_100015614560 [0,1,0,0,0,0|3,0,0]=4 4657 B11R0.106 CNC(=O)CCNC[C@@H](O)CF 34a_100000738227_100015614560 [0,1,0,0,0,0|3,0,0]=4 4658 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 2230a_100000738227_100009815848 [0,1,0,0,0,0|3,0,0]=4 4659 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 34a_100000738227_100009815848 [0,1,0,0,0,0|3,0,0]=4 4660 B11R0.106 CNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000737683 [0,1,0,0,0,0|3,0,0]=4 4661 B11R0.106 CNC(=O)CCOCC(=O)OC 34a_100000754576_100000747449 [0,1,0,0,0,0|2,0,1]=4 4662 B11R0.106 CNC(=O)CCOCC(C)CN 34a_100000744482_100012179268 [0,1,0,0,0,0|3,0,0]=4 4663 B11R0.106 CNC(=O)CCOCC(C)OC 34a_100000690652_100012179268 [0,1,0,0,0,0|3,0,0]=4 4664 B11R0.106 CNC(=O)CCOCC(Cl)CCl 34a_100000033668_100012179268 [0,1,0,0,0,0|3,0,0]=4 4665 B11R0.106 CNC(=O)CCOCC(O)CO 34a_100000754576_100011219619 [0,1,0,0,0,0|3,0,0]=4 4666 B11R0.106 CNC(=O)CCOC[C@@H](C)CO 34a_100000754576_100000059175 [0,1,0,0,0,0|3,0,0]=4 4667 B11R0.106 CNC(=O)CCOC[C@@H](O)CF 34a_100000754576_100015614560 [0,1,0,0,0,0|3,0,0]=4 4668 B11R0.106 CNC(=O)CCOC[C@@H](O)CO 34a_100000754576_100009815848 [0,1,0,0,0,0|3,0,0]=4 4669 B11R0.106 CNC(=O)CCOC[C@H](F)CN 34a_100015665980_100012179268 [0,1,0,0,0,0|3,0,0]=4 4670 B11R0.106 CNC(=O)CCSCC(=O)OC 62a_100000737683_100000747449 [0,1,0,0,0,0|2,0,1]=4 4671 B11R0.106 CNC(=O)CCSCC(=O)OC 62a_100000747449_100000737683 [0,1,0,0,0,0|2,0,1]=4 4672 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100000737683_100011219619 [0,1,0,0,0,0|3,0,0]=4 4673 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100011219619_100000737683 [0,1,0,0,0,0|3,0,0]=4 4674 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737683 [0,1,0,0,0,0|3,0,0]=4 4675 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000737683_100000059175 [0,1,0,0,0,0|3,0,0]=4 4676 B11R0.106 CNC(=O)CCSC[C@@H](O)CF 62a_100000737683_100015614560 [0,1,0,0,0,0|3,0,0]=4 4677 B11R0.106 CNC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000737683 [0,1,0,0,0,0|3,0,0]=4 4678 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100000737683_100009815848 [0,1,0,0,0,0|3,0,0]=4 4679 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000737683 [0,1,0,0,0,0|3,0,0]=4 4680 B11R0.106 CNC(=O)CNCCC(=O)OC 2230a_100000693194_100000204255 [0,1,0,0,0,0|2,0,1]=4 4681 B11R0.106 CNC(=O)CNCCC(C)CO 2230a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 4682 B11R0.106 CNC(=O)CNCCC(C)CO 34a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 4683 B11R0.106 CNC(=O)COCCC(=O)OC 34a_100000750040_100000742370 [0,1,0,0,0,0|2,0,1]=4 4684 B11R0.106 CNC(=O)COCCC(C)OC 7a_100000764861_100000183359 [0,1,0,0,0,0|3,0,0]=4 4685 B11R0.106 CNC(=O)CSCCC(=O)OC 62a_100000183359_100000204255 [0,1,0,0,0,0|2,0,1]=4 4686 B11R0.106 CNC(=O)CSCCC(=O)OC 62a_100000204255_100000183359 [0,1,0,0,0,0|2,0,1]=4 4687 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [0,1,0,0,0,0|1,0,1]=3 4688 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,1,0,0,0,0|1,0,1]=3 4689 B11R0.106 COC(=O)CCCNC(=O)CO 188690a_100000184769_100000210174 [0,1,0,0,0,0|2,0,1]=4 4690 B11R0.106 COC(=O)CCCNC(C)C#N 2230a_100000737613_100011218270 [0,1,0,0,0,0|2,0,1]=4 4691 B11R0.106 COC(=O)CCCN[C@H](C)CO 2230a_100000737577_100011218270 [0,1,0,0,0,0|2,0,0]=3 4692 B11R0.106 COC(=O)CCCOC(C)C#N 34a_100011218135_100000742333 [0,1,0,0,0,0|2,0,1]=4 4693 B11R0.106 COC(=O)CCCOC(C)CF 34a_100016041109_100000742333 [0,1,0,0,0,0|2,0,0]=3 4694 B11R0.106 COC(=O)CCCOC(C)CF 7a_100016041109_100011218270 [0,1,0,0,0,0|2,0,0]=3 4695 B11R0.106 COC(=O)CCCOC(C)CN 34a_100000210904_100000742333 [0,1,0,0,0,0|2,0,0]=3 4696 B11R0.106 COC(=O)CCCSC(C)C#N 62a_100000703298_100011218270 [0,1,0,0,0,0|2,0,1]=4 4697 B11R0.106 COC(=O)CCCSC(C)C#N 62a_100011218270_100000703298 [0,1,0,0,0,0|2,0,1]=4 4698 B11R0.106 COC(=O)CCCSC(C)CO 62a_100012180447_100011218270 [0,1,0,0,0,0|2,0,0]=3 4699 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [0,1,0,0,0,0|2,0,0]=3 4700 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [0,1,0,0,0,0|2,0,0]=3 4701 B11R0.106 COC(=O)CCCSC(F)C#N 62a_100011218270_200000117898 [0,1,0,0,0,0|2,0,1]=4 4702 B11R0.106 COC(=O)CCCSC(F)C#N 62a_200000117898_100011218270 [0,1,0,0,0,0|2,0,1]=4 4703 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100011218270_100016084084 [0,1,0,0,0,0|2,0,0]=3 4704 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100016084084_100011218270 [0,1,0,0,0,0|2,0,0]=3 4705 B11R0.106 COC(=O)CCNCC(C)CO 34a_100000744482_100000742370 [0,1,0,0,0,0|2,0,0]=3 4706 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [0,1,0,0,0,0|2,0,0]=3 4707 B11R0.106 COC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000742370 [0,1,0,0,0,0|2,0,0]=3 4708 B11R0.106 COC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000204255 [0,1,0,0,0,0|2,0,0]=3 4709 B11R0.106 COC(=O)CCOCC(C)CN 34a_100000744482_100000742370 [0,1,0,0,0,0|2,0,0]=3 4710 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [0,1,0,0,0,0|2,0,0]=3 4711 B11R0.106 COC(=O)CCOCC(Cl)CCl 34a_100000033668_100000742370 [0,1,0,0,0,0|2,0,0]=3 4712 B11R0.106 COC(=O)CCOC[C@H](F)CN 34a_100015665980_100000742370 [0,1,0,0,0,0|2,0,0]=3 4713 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000204255_100000747449 [0,1,0,0,0,0|2,0,1]=4 4714 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000747449_100000204255 [0,1,0,0,0,0|2,0,1]=4 4715 B11R0.106 COC(=O)CCSCC(O)CO 62a_100000204255_100011219619 [0,1,0,0,0,0|2,0,0]=3 4716 B11R0.106 COC(=O)CCSCC(O)CO 62a_100011219619_100000204255 [0,1,0,0,0,0|2,0,0]=3 4717 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000204255 [0,1,0,0,0,0|2,0,0]=3 4718 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000204255_100000059175 [0,1,0,0,0,0|2,0,0]=3 4719 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100000204255_100015614560 [0,1,0,0,0,0|2,0,0]=3 4720 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000204255 [0,1,0,0,0,0|2,0,0]=3 4721 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100000204255_100009815848 [0,1,0,0,0,0|2,0,0]=3 4722 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000204255 [0,1,0,0,0,0|2,0,0]=3 4723 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [0,1,0,0,0,0|2,0,0]=3 4724 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [0,1,0,0,0,0|2,0,0]=3 4725 B11R0.106 COC(=O)COCCC(=O)CO 1458a_100000210174_100000090808 [0,1,0,0,0,0|2,0,1]=4 4726 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [0,1,0,0,0,0|2,0,0]=3 4727 B11R0.106 COC(=O)NCCCC(=O)CF 1458a_100000753017_100015361967 [0,1,0,0,0,0|2,0,1]=4 4728 B11R0.106 COC(=O)NCCOC(C)CO 34a_100000757965_100012180447 [0,1,0,0,0,0|3,0,0]=4 4729 B11R0.106 COC(=O)OCCOC(C)CO 34a_100010262106_100012180447 [0,1,0,0,0,0|3,0,0]=4 4730 B11R0.106 COC(=O)OCSCC(O)CO 62a_100011219619_100000139417 [0,1,0,0,0,0|3,0,0]=4 4731 B11R0.106 COC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000139417 [0,1,0,0,0,0|3,0,0]=4 4732 B11R0.106 COC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000139417 [0,1,0,0,0,0|3,0,0]=4 4733 B11R0.106 COC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000139417 [0,1,0,0,0,0|3,0,0]=4 4734 B11R0.111 C#CC(=O)CCCCCC(C)C 1458a_100000211873_100000210682 [0,1,0,0,0,0|1,0,1]=3 4735 B11R0.111 C=C(Br)CCOCCC(=O)OC 34a_100009813270_100000742370 [0,1,0,0,0,0|1,0,2]=4 4736 B11R0.111 C=C(C)CCNCCC(=O)NC 2230a_100000738227_100000730704 [0,1,0,0,0,0|2,0,1]=4 4737 B11R0.111 C=C(C)CCNCCC(=O)NC 34a_100000738227_100000730704 [0,1,0,0,0,0|2,0,1]=4 4738 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000754576_100000730704 [0,1,0,0,0,0|2,0,1]=4 4739 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000764851_100012179268 [0,1,0,0,0,0|2,0,1]=4 4740 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,1,0,0,0,0|1,0,1]=3 4741 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000730704_100000737683 [0,1,0,0,0,0|2,0,1]=4 4742 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000737683_100000730704 [0,1,0,0,0,0|2,0,1]=4 4743 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,1,0,0,0,0|1,0,1]=3 4744 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,1,0,0,0,0|1,0,1]=3 4745 B11R0.111 C=C(C)CCSCOC(=O)OC 62a_100000730704_100000139417 [0,1,0,0,0,0|2,0,1]=4 4746 B11R0.111 C=C(C)CNCCCC(=O)NC 2230a_100000740002_100000748629 [0,1,0,0,0,0|2,0,1]=4 4747 B11R0.111 C=C(C)CNCCCC(=O)NC 34a_100000740002_100000748629 [0,1,0,0,0,0|2,0,1]=4 4748 B11R0.111 C=C(C)COCCCC(=O)NC 34a_100000210245_100000741757 [0,1,0,0,0,0|2,0,1]=4 4749 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [0,1,0,0,0,0|1,0,1]=3 4750 B11R0.111 C=C(C)COCCNC(=O)OC 34a_100000757965_100000748629 [0,1,0,0,0,0|2,0,1]=4 4751 B11R0.111 C=C(C)COCCOC(=O)OC 34a_100010262106_100000748629 [0,1,0,0,0,0|2,0,1]=4 4752 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000741757_100000211660 [0,1,0,0,0,0|2,0,1]=4 4753 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000748629_100000741757 [0,1,0,0,0,0|2,0,1]=4 4754 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [0,1,0,0,0,0|1,0,1]=3 4755 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [0,1,0,0,0,0|1,0,1]=3 4756 B11R0.111 C=C(F)COCCCC(=O)OC 34a_200010262243_100000742333 [0,1,0,0,0,0|1,0,2]=4 4757 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100000042424_100011218270 [0,1,0,0,0,0|1,0,2]=4 4758 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100011218270_100000042424 [0,1,0,0,0,0|1,0,2]=4 4759 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,1,0,0,0,0|1,0,1]=3 4760 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,1,0,0,0,0|2,0,0]=3 4761 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,1,0,0,0,0|2,0,0]=3 4762 B11R0.111 CC(C)COCCCC(=O)NN 34a_100000211488_100000210624 [0,1,0,0,0,0|3,0,0]=4 4763 B11R0.111 CC(O)COCCCC(=O)NN 34a_100000211488_100011218427 [0,1,0,0,0,0|3,0,0]=4 4764 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,1,0,0,0,0|3,0,0]=4 4765 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,0,0,0,0|2,0,1]=4 4766 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,1,0,0,0,0|1,0,0]=2 4767 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,1,0,0,0,0|1,0,0]=2 4768 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,1,0,0,0,0|3,0,0]=4 4769 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,1,0,0,0,0|2,0,1]=4 4770 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,1,0,0,0,0|2,0,1]=4 4771 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,1,0,0,0,0|2,0,1]=4 4772 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,1,0,0,0,0|2,0,1]=4 4773 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,1,0,0,0,0|2,0,0]=3 4774 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,1,0,0,0,0|2,0,0]=3 4775 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,1,0,0,0,0|2,0,0]=3 4776 B11R0.111 CCC(=O)COCCOC(C)C 34a_100000725409_100000211751 [0,1,0,0,0,0|3,0,0]=4 4777 B11R0.111 CCC(=O)COCCOC(C)C 7a_100000211219_100000747405 [0,1,0,0,0,0|3,0,0]=4 4778 B11R0.111 CCC(=O)COCCSC(C)C 34a_100000725409_100000730970 [0,1,0,0,0,0|3,0,0]=4 4779 B11R0.111 CCC(=O)COCCSC(C)C 7a_200011212901_100000747405 [0,1,0,0,0,0|3,0,0]=4 4780 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,1,0,0,0,0|2,0,1]=4 4781 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,1,0,0,0,0|2,0,1]=4 4782 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,1,0,0,0,0|2,0,0]=3 4783 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,1,0,0,0,0|2,0,0]=3 4784 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,1,0,0,0,0|2,0,0]=3 4785 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,1,0,0,0,0|2,0,0]=3 4786 B11R0.111 CCC(=O)CSCCCN(C)C 62a_100000747405_100000757444 [0,1,0,0,0,0|3,0,0]=4 4787 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000211751_100000747405 [0,1,0,0,0,0|3,0,0]=4 4788 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000747405_100000211751 [0,1,0,0,0,0|3,0,0]=4 4789 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000730970_100000747405 [0,1,0,0,0,0|3,0,0]=4 4790 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000747405_100000730970 [0,1,0,0,0,0|3,0,0]=4 4791 B11R0.111 CCC(=O)NCCCCN(C)C 240690a_100025707445_100000210414 [0,1,0,0,0,0|3,0,0]=4 4792 B11R0.111 CCC(=O)NCCCOC(C)C 11a_100000737246_100000210414 [0,1,0,0,0,0|3,0,0]=4 4793 B11R0.111 CCC(=O)NCCCOC(C)C 1626a_100000737246_100000210414 [0,1,0,0,0,0|3,0,0]=4 4794 B11R0.111 CCC(=O)NCCCOC(C)C 240690a_100000737246_100000210414 [0,1,0,0,0,0|3,0,0]=4 4795 B11R0.111 CCC(=O)NCCCOC(C)C 527a_100000737246_100000210414 [0,1,0,0,0,0|3,0,0]=4 4796 B11R0.111 CCC(=O)NCCNCC(C)C 270004a_100132302217_100000210432 [0,1,0,0,0,0|3,0,0]=4 4797 B11R0.111 CCC(=O)NCCNCC(C)C 34a_100132302217_100000210624 [0,1,0,0,0,0|3,0,0]=4 4798 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [0,1,0,0,0,0|3,0,0]=4 4799 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [0,1,0,0,0,0|3,0,0]=4 4800 B11R0.111 CCC(=O)NCCOCC(C)C 34a_200000158885_100000210624 [0,1,0,0,0,0|3,0,0]=4 4801 B11R0.111 CCC(=O)NCCOCC(C)C 7a_200000158885_100000210760 [0,1,0,0,0,0|3,0,0]=4 4802 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [0,1,0,0,0,0|3,0,0]=4 4803 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [0,1,0,0,0,0|3,0,0]=4 4804 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [0,1,0,0,0,0|3,0,0]=4 4805 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [0,1,0,0,0,0|3,0,0]=4 4806 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [0,1,0,0,0,0|3,0,0]=4 4807 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,1,0,0,0,0|3,0,0]=4 4808 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,1,0,0,0,0|3,0,0]=4 4809 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [0,1,0,0,0,0|3,0,0]=4 4810 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [0,1,0,0,0,0|3,0,0]=4 4811 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,1,0,0,0,0|1,0,0]=2 4812 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 4813 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 4814 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 4815 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 11a_106832991635_100000043470 [0,1,0,0,0,0|3,0,0]=4 4816 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 1626a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 4817 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 240690a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 4818 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 527a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 4819 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000210953_100000741757 [0,1,0,0,0,0|2,0,0]=3 4820 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000740002_100000210760 [0,1,0,0,0,0|2,0,0]=3 4821 B11R0.111 CNC(=O)CCCNCC(C)C 270004a_100000740002_100000210432 [0,1,0,0,0,0|2,0,0]=3 4822 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000210953_100000741757 [0,1,0,0,0,0|2,0,0]=3 4823 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000740002_100000210624 [0,1,0,0,0,0|2,0,0]=3 4824 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000210904_100000741757 [0,1,0,0,0,0|2,0,0]=3 4825 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000740002_100011218427 [0,1,0,0,0,0|2,0,0]=3 4826 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000210904_100000741757 [0,1,0,0,0,0|2,0,0]=3 4827 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000740002_100011218427 [0,1,0,0,0,0|2,0,0]=3 4828 B11R0.111 CNC(=O)CCCNCC(F)F 2230a_100000740002_100011934356 [0,1,0,0,0,0|3,0,0]=4 4829 B11R0.111 CNC(=O)CCCNCC(F)F 34a_100000740002_100011934356 [0,1,0,0,0,0|3,0,0]=4 4830 B11R0.111 CNC(=O)CCCNCC(F)F 34a_100000765723_100000741757 [0,1,0,0,0,0|3,0,0]=4 4831 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 2230a_100000740002_100009817552 [0,1,0,0,0,0|2,0,0]=3 4832 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 34a_100000740002_100009817552 [0,1,0,0,0,0|2,0,0]=3 4833 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,1,0,0,0,0|2,0,1]=4 4834 B11R0.111 CNC(=O)CCCOCC(C)Br 34a_100012180447_100000741757 [0,1,0,0,0,0|2,0,0]=3 4835 B11R0.111 CNC(=O)CCCOCC(C)C 34a_100000210257_100000741757 [0,1,0,0,0,0|2,0,0]=3 4836 B11R0.111 CNC(=O)CCCOCC(C)F 34a_100015925927_100000741757 [0,1,0,0,0,0|2,0,0]=3 4837 B11R0.111 CNC(=O)CCCOCC(F)F 34a_100000743014_100000741757 [0,1,0,0,0,0|3,0,0]=4 4838 B11R0.111 CNC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000741757 [0,1,0,0,0,0|2,0,0]=3 4839 B11R0.111 CNC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000741757 [0,1,0,0,0,0|2,0,0]=3 4840 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000210624_100000741757 [0,1,0,0,0,0|2,0,0]=3 4841 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000741757_100000210760 [0,1,0,0,0,0|2,0,0]=3 4842 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100000741757_100011218427 [0,1,0,0,0,0|2,0,0]=3 4843 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100011218427_100000741757 [0,1,0,0,0,0|2,0,0]=3 4844 B11R0.111 CNC(=O)CCCSCC(F)F 62a_100000741757_100011934356 [0,1,0,0,0,0|3,0,0]=4 4845 B11R0.111 CNC(=O)CCCSCC(F)F 62a_100011934356_100000741757 [0,1,0,0,0,0|3,0,0]=4 4846 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100000741757_100009817552 [0,1,0,0,0,0|2,0,0]=3 4847 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100009817552_100000741757 [0,1,0,0,0,0|2,0,0]=3 4848 B11R0.111 CNC(=O)CCNCCC(C)C 2230a_100000738227_100000210312 [0,1,0,0,0,0|2,0,0]=3 4849 B11R0.111 CNC(=O)CCNCCC(C)C 269862a_100000738227_100000185833 [0,1,0,0,0,0|2,0,0]=3 4850 B11R0.111 CNC(=O)CCNCCC(C)C 34a_100000738227_100000210312 [0,1,0,0,0,0|2,0,0]=3 4851 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_100000738227_100012276601 [0,1,0,0,0,0|2,0,0]=3 4852 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_200000755665_100000737683 [0,1,0,0,0,0|2,0,0]=3 4853 B11R0.111 CNC(=O)CCNCCC(C)O 34a_100000738227_100012276601 [0,1,0,0,0,0|2,0,0]=3 4854 B11R0.111 CNC(=O)CCNCOC(C)C 2230a_100000738227_100000709892 [0,1,0,0,0,0|3,0,0]=4 4855 B11R0.111 CNC(=O)CCNCOC(C)C 34a_100000738227_100000709892 [0,1,0,0,0,0|3,0,0]=4 4856 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,1,0,0,0,0|2,0,1]=4 4857 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,1,0,0,0,0|2,0,1]=4 4858 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [0,1,0,0,0,0|2,0,0]=3 4859 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [0,1,0,0,0,0|2,0,0]=3 4860 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [0,1,0,0,0,0|2,0,0]=3 4861 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [0,1,0,0,0,0|2,0,0]=3 4862 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [0,1,0,0,0,0|2,0,0]=3 4863 B11R0.111 CNC(=O)CCOCCC(F)F 34a_100103093639_100012179268 [0,1,0,0,0,0|3,0,0]=4 4864 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [0,1,0,0,0,0|2,0,0]=3 4865 B11R0.111 CNC(=O)CCOCOC(C)C 34a_100000754576_100000709892 [0,1,0,0,0,0|3,0,0]=4 4866 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,1,0,0,0,0|2,0,1]=4 4867 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,1,0,0,0,0|2,0,1]=4 4868 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000210312_100000737683 [0,1,0,0,0,0|2,0,0]=3 4869 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000737683_100000210312 [0,1,0,0,0,0|2,0,0]=3 4870 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100000737683_100012276601 [0,1,0,0,0,0|2,0,0]=3 4871 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100012276601_100000737683 [0,1,0,0,0,0|2,0,0]=3 4872 B11R0.111 CNC(=O)CCSCCN(C)C 62a_100000737683_100000755713 [0,1,0,0,0,0|3,0,0]=4 4873 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000709892_100000737683 [0,1,0,0,0,0|3,0,0]=4 4874 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000737683_100000709892 [0,1,0,0,0,0|3,0,0]=4 4875 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [0,1,0,0,0,0|2,0,0]=3 4876 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [0,1,0,0,0,0|2,0,0]=3 4877 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [0,1,0,0,0,0|2,0,0]=3 4878 B11R0.111 CNC(=O)CNCCCC(C)O 2230a_100000693194_200000718107 [0,1,0,0,0,0|2,0,0]=3 4879 B11R0.111 CNC(=O)CNCCCS(=O)C 2230a_200000753449_100000183359 [0,1,0,0,0,0|3,0,0]=4 4880 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000693194_100000211751 [0,1,0,0,0,0|3,0,0]=4 4881 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000701111_100000183359 [0,1,0,0,0,0|3,0,0]=4 4882 B11R0.111 CNC(=O)CNCCOC(C)C 34a_100000701111_100000183359 [0,1,0,0,0,0|3,0,0]=4 4883 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000693194_100000730970 [0,1,0,0,0,0|3,0,0]=4 4884 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000731138_100000183359 [0,1,0,0,0,0|3,0,0]=4 4885 B11R0.111 CNC(=O)CNCCSC(C)C 34a_100000731138_100000183359 [0,1,0,0,0,0|3,0,0]=4 4886 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,1,0,0,0,0|2,0,1]=4 4887 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,1,0,0,0,0|2,0,1]=4 4888 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,1,0,0,0,0|2,0,1]=4 4889 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [0,1,0,0,0,0|2,0,0]=3 4890 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [0,1,0,0,0,0|2,0,0]=3 4891 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [0,1,0,0,0,0|2,0,0]=3 4892 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,1,0,0,0,0|2,0,0]=3 4893 B11R0.111 CNC(=O)COCCNC(C)C 34a_100000224655_100000183359 [0,1,0,0,0,0|3,0,0]=4 4894 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000211219_100000183359 [0,1,0,0,0,0|3,0,0]=4 4895 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000750040_100000211751 [0,1,0,0,0,0|3,0,0]=4 4896 B11R0.111 CNC(=O)COCCOC(C)C 7a_100000211219_100000183359 [0,1,0,0,0,0|3,0,0]=4 4897 B11R0.111 CNC(=O)COCCSC(C)C 34a_100000750040_100000730970 [0,1,0,0,0,0|3,0,0]=4 4898 B11R0.111 CNC(=O)COCCSC(C)C 34a_200011212901_100000183359 [0,1,0,0,0,0|3,0,0]=4 4899 B11R0.111 CNC(=O)COCCSC(C)C 7a_200011212901_100000183359 [0,1,0,0,0,0|3,0,0]=4 4900 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,1,0,0,0,0|2,0,1]=4 4901 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,1,0,0,0,0|2,0,1]=4 4902 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [0,1,0,0,0,0|2,0,0]=3 4903 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [0,1,0,0,0,0|2,0,0]=3 4904 B11R0.111 CNC(=O)CSCCCC(C)O 62a_100000183359_200000718107 [0,1,0,0,0,0|2,0,0]=3 4905 B11R0.111 CNC(=O)CSCCCC(C)O 62a_200000718107_100000183359 [0,1,0,0,0,0|2,0,0]=3 4906 B11R0.111 CNC(=O)CSCCCN(C)C 62a_100000183359_100000757444 [0,1,0,0,0,0|3,0,0]=4 4907 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000183359_100000211751 [0,1,0,0,0,0|3,0,0]=4 4908 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000211751_100000183359 [0,1,0,0,0,0|3,0,0]=4 4909 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000183359_100000730970 [0,1,0,0,0,0|3,0,0]=4 4910 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000730970_100000183359 [0,1,0,0,0,0|3,0,0]=4 4911 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100025707445_106832991635 [0,1,0,0,0,0|3,0,0]=4 4912 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100102657272_100025707445 [0,1,0,0,0,0|3,0,0]=4 4913 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100025707445_100102657272 [0,1,0,0,0,0|3,0,0]=4 4914 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100102657272_100025707445 [0,1,0,0,0,0|3,0,0]=4 4915 B11R0.111 CNC(=O)NCCCCN(C)C 512a_100025707445_100102657272 [0,1,0,0,0,0|3,0,0]=4 4916 B11R0.111 CNC(=O)NCCCCN(C)C 512a_106832991638_100025707445 [0,1,0,0,0,0|3,0,0]=4 4917 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100000737246_106832991635 [0,1,0,0,0,0|3,0,0]=4 4918 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100102657272_100000737246 [0,1,0,0,0,0|3,0,0]=4 4919 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100000737246_100102657272 [0,1,0,0,0,0|3,0,0]=4 4920 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100102657272_100000737246 [0,1,0,0,0,0|3,0,0]=4 4921 B11R0.111 CNC(=O)NCCCOC(C)C 512a_100000737246_100102657272 [0,1,0,0,0,0|3,0,0]=4 4922 B11R0.111 CNC(=O)NCCCOC(C)C 512a_106832991638_100000737246 [0,1,0,0,0,0|3,0,0]=4 4923 B11R0.111 CNC(=O)NCCNCC(C)C 34a_100015205895_100000210624 [0,1,0,0,0,0|3,0,0]=4 4924 B11R0.111 CNC(=O)NCCNCC(C)O 34a_100015205895_100011218427 [0,1,0,0,0,0|3,0,0]=4 4925 B11R0.111 CNC(=O)NCCNC[C@@H](C)O 34a_100015205895_100009817552 [0,1,0,0,0,0|3,0,0]=4 4926 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,1,0,0,0,0|3,0,0]=4 4927 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,1,0,0,0,0|3,0,0]=4 4928 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,1,0,0,0,0|3,0,0]=4 4929 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,1,0,0,0,0|3,0,0]=4 4930 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,1,0,0,0,0|3,0,0]=4 4931 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,1,0,0,0,0|3,0,0]=4 4932 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,1,0,0,0,0|3,0,0]=4 4933 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,1,0,0,0,0|3,0,0]=4 4934 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,1,0,0,0,0|3,0,0]=4 4935 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,1,0,0,0,0|3,0,0]=4 4936 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,1,0,0,0,0|3,0,0]=4 4937 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,1,0,0,0,0|3,0,0]=4 4938 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,1,0,0,0,0|3,0,0]=4 4939 B11R0.111 COC(=O)/C=C/CNCC(C)C 2230a_100000210953_100000742655 [0,1,0,0,0,0|1,0,2]=4 4940 B11R0.111 COC(=O)/C=C/CNCC(C)C 34a_100000210953_100000742655 [0,1,0,0,0,0|1,0,2]=4 4941 B11R0.111 COC(=O)/C=C/CNCC(C)O 2230a_100000210904_100000742655 [0,1,0,0,0,0|1,0,2]=4 4942 B11R0.111 COC(=O)/C=C/CNCC(C)O 34a_100000210904_100000742655 [0,1,0,0,0,0|1,0,2]=4 4943 B11R0.111 COC(=O)/C=C/COCC(C)Br 34a_100012180447_100000742655 [0,1,0,0,0,0|1,0,2]=4 4944 B11R0.111 COC(=O)/C=C/COCC(C)C 34a_100000210257_100000742655 [0,1,0,0,0,0|1,0,2]=4 4945 B11R0.111 COC(=O)/C=C/COCC(C)F 34a_100015925927_100000742655 [0,1,0,0,0,0|1,0,2]=4 4946 B11R0.111 COC(=O)/C=C/COC[C@@H](C)Cl 34a_100016084084_100000742655 [0,1,0,0,0,0|1,0,2]=4 4947 B11R0.111 COC(=O)/C=C/COC[C@@H](C)N 34a_100000737577_100000742655 [0,1,0,0,0,0|1,0,2]=4 4948 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000210624_100000742655 [0,1,0,0,0,0|1,0,2]=4 4949 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000742655_100000210760 [0,1,0,0,0,0|1,0,2]=4 4950 B11R0.111 COC(=O)/C=C/CSCC(C)O 62a_100000742655_100011218427 [0,1,0,0,0,0|1,0,2]=4 4951 B11R0.111 COC(=O)/C=C/CSCC(C)O 62a_100011218427_100000742655 [0,1,0,0,0,0|1,0,2]=4 4952 B11R0.111 COC(=O)/C=C/CSC[C@@H](C)O 62a_100000742655_100009817552 [0,1,0,0,0,0|1,0,2]=4 4953 B11R0.111 COC(=O)/C=C/CSC[C@@H](C)O 62a_100009817552_100000742655 [0,1,0,0,0,0|1,0,2]=4 4954 B11R0.111 COC(=O)CC=NNCC(C)O 4a_200000730056_200011552997 [0,1,0,0,0,0|2,0,1]=4 4955 B11R0.111 COC(=O)CCC=NNC(C)C 4a_100000741168_100012047195 [0,1,0,0,0,0|2,0,1]=4 4956 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,0|0,0,1]=2 4957 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,0|0,0,1]=2 4958 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,0|0,0,1]=2 4959 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,1,0,0,0,0|1,0,0]=2 4960 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,1,0,0,0,0|1,0,0]=2 4961 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,1,0,0,0,0|1,0,1]=3 4962 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [0,1,0,0,0,0|1,0,0]=2 4963 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [0,1,0,0,0,0|1,0,0]=2 4964 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [0,1,0,0,0,0|1,0,0]=2 4965 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [0,1,0,0,0,0|1,0,0]=2 4966 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [0,1,0,0,0,0|1,0,0]=2 4967 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [0,1,0,0,0,0|1,0,0]=2 4968 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [0,1,0,0,0,0|1,0,0]=2 4969 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [0,1,0,0,0,0|2,0,1]=4 4970 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,1,0,0,0,0|2,0,1]=4 4971 B11R0.111 COC(=O)CCCNCC(C)C 2230a_100000210953_100011218270 [0,1,0,0,0,0|1,0,0]=2 4972 B11R0.111 COC(=O)CCCNCC(C)C 34a_100000210953_100000742333 [0,1,0,0,0,0|1,0,0]=2 4973 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,1,0,0,0,0|1,0,0]=2 4974 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,1,0,0,0,0|1,0,0]=2 4975 B11R0.111 COC(=O)CCCNCC(F)F 34a_100000765723_100000742333 [0,1,0,0,0,0|2,0,0]=3 4976 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,1,0,0,0,0|1,0,1]=3 4977 B11R0.111 COC(=O)CCCOCC(C)Br 34a_100012180447_100000742333 [0,1,0,0,0,0|1,0,0]=2 4978 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [0,1,0,0,0,0|1,0,0]=2 4979 B11R0.111 COC(=O)CCCOCC(C)F 34a_100015925927_100000742333 [0,1,0,0,0,0|1,0,0]=2 4980 B11R0.111 COC(=O)CCCOCC(F)F 34a_100000743014_100000742333 [0,1,0,0,0,0|2,0,0]=3 4981 B11R0.111 COC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000742333 [0,1,0,0,0,0|1,0,0]=2 4982 B11R0.111 COC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000742333 [0,1,0,0,0,0|1,0,0]=2 4983 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100000747473_100011218270 [0,1,0,0,0,0|2,0,1]=4 4984 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100011218270_100000747473 [0,1,0,0,0,0|2,0,1]=4 4985 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100011218270_100020667443 [0,1,0,0,0,0|2,0,1]=4 4986 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011218270 [0,1,0,0,0,0|2,0,1]=4 4987 B11R0.111 COC(=O)CCCSCC(C)C 62a_100000210624_100011218270 [0,1,0,0,0,0|1,0,0]=2 4988 B11R0.111 COC(=O)CCCSCC(C)C 62a_100011218270_100000210760 [0,1,0,0,0,0|1,0,0]=2 4989 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,1,0,0,0,0|1,0,0]=2 4990 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,1,0,0,0,0|1,0,0]=2 4991 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011218270_100011934356 [0,1,0,0,0,0|2,0,0]=3 4992 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011934356_100011218270 [0,1,0,0,0,0|2,0,0]=3 4993 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,1,0,0,0,0|1,0,0]=2 4994 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,1,0,0,0,0|1,0,0]=2 4995 B11R0.111 COC(=O)CCCSC[N+](=O)[O-] 62a_100011218270_100000761209 [0,1,0,0,0,0|3,0,0]=4 4996 B11R0.111 COC(=O)CCNCC=C(C)C 34a_100000718196_100000742370 [0,1,0,0,0,0|1,0,2]=4 4997 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,1,0,0,0,0|1,0,0]=2 4998 B11R0.111 COC(=O)CCOCC=C(C)C 34a_100000753907_100000742370 [0,1,0,0,0,0|1,0,2]=4 4999 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,1,0,0,0,0|1,0,1]=3 5000 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,1,0,0,0,0|1,0,1]=3 5001 B11R0.111 COC(=O)CCOCCC(=O)N 34a_100000757172_100000742370 [0,1,0,0,0,0|2,0,1]=4 5002 B11R0.111 COC(=O)CCOCCC(=O)N 7a_100000757172_100000204255 [0,1,0,0,0,0|2,0,1]=4 5003 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [0,1,0,0,0,0|1,0,0]=2 5004 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [0,1,0,0,0,0|1,0,0]=2 5005 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [0,1,0,0,0,0|1,0,0]=2 5006 B11R0.111 COC(=O)CCOCCC(F)F 34a_100103093639_100000742370 [0,1,0,0,0,0|2,0,0]=3 5007 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [0,1,0,0,0,0|1,0,0]=2 5008 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000204255_100000761012 [0,1,0,0,0,0|1,0,2]=4 5009 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000761012_100000204255 [0,1,0,0,0,0|1,0,2]=4 5010 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,1,0,0,0,0|1,0,1]=3 5011 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,1,0,0,0,0|1,0,1]=3 5012 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000204255_100000744528 [0,1,0,0,0,0|2,0,1]=4 5013 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000744528_100000204255 [0,1,0,0,0,0|2,0,1]=4 5014 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [0,1,0,0,0,0|1,0,0]=2 5015 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [0,1,0,0,0,0|1,0,0]=2 5016 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,1,0,0,0,0|1,0,0]=2 5017 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,1,0,0,0,0|1,0,0]=2 5018 B11R0.111 COC(=O)CCSCCN(C)C 62a_100000204255_100000755713 [0,1,0,0,0,0|2,0,0]=3 5019 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,1,0,0,0,0|2,0,1]=4 5020 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,1,0,0,0,0|2,0,1]=4 5021 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000204255_100000709892 [0,1,0,0,0,0|2,0,0]=3 5022 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000709892_100000204255 [0,1,0,0,0,0|2,0,0]=3 5023 B11R0.111 COC(=O)CNCCCC(=O)N 34a_100000739312_100000747449 [0,1,0,0,0,0|2,0,1]=4 5024 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [0,1,0,0,0,0|1,0,0]=2 5025 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [0,1,0,0,0,0|1,0,0]=2 5026 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [0,1,0,0,0,0|2,0,0]=3 5027 B11R0.111 COC(=O)CNCCNC(=O)C 2230a_100000209853_100000747449 [0,1,0,0,0,0|2,0,1]=4 5028 B11R0.111 COC(=O)CNCCOC(C)C 2230a_100000701111_100000747449 [0,1,0,0,0,0|2,0,0]=3 5029 B11R0.111 COC(=O)CNCCOC(C)C 34a_100000701111_100000747449 [0,1,0,0,0,0|2,0,0]=3 5030 B11R0.111 COC(=O)CNCCSC(C)C 2230a_100000731138_100000747449 [0,1,0,0,0,0|2,0,0]=3 5031 B11R0.111 COC(=O)CNCCSC(C)C 34a_100000731138_100000747449 [0,1,0,0,0,0|2,0,0]=3 5032 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,1,0,0,0,0|1,0,1]=3 5033 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,1,0,0,0,0|1,0,1]=3 5034 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,1,0,0,0,0|1,0,0]=2 5035 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,1,0,0,0,0|1,0,0]=2 5036 B11R0.111 COC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000747449 [0,1,0,0,0,0|3,0,0]=4 5037 B11R0.111 COC(=O)COCCNC(=O)C 34a_100000158858_100000747449 [0,1,0,0,0,0|2,0,1]=4 5038 B11R0.111 COC(=O)COCCNC(C)C 2230a_100138425928_100000090808 [0,1,0,0,0,0|2,0,0]=3 5039 B11R0.111 COC(=O)COCCNC(C)C 34a_100000224655_100000747449 [0,1,0,0,0,0|2,0,0]=3 5040 B11R0.111 COC(=O)COCCNC(C)C 34a_100138425928_100000090808 [0,1,0,0,0,0|2,0,0]=3 5041 B11R0.111 COC(=O)COCCOC(C)C 34a_100000211219_100000747449 [0,1,0,0,0,0|2,0,0]=3 5042 B11R0.111 COC(=O)COCCOC(C)C 34a_100000212225_100000090808 [0,1,0,0,0,0|2,0,0]=3 5043 B11R0.111 COC(=O)COCCOC(C)C 7a_100000211219_100000747449 [0,1,0,0,0,0|2,0,0]=3 5044 B11R0.111 COC(=O)COCCSC(C)C 34a_200011212901_100000747449 [0,1,0,0,0,0|2,0,0]=3 5045 B11R0.111 COC(=O)COCCSC(C)C 62a_100000090808_100000210206 [0,1,0,0,0,0|2,0,0]=3 5046 B11R0.111 COC(=O)COCCSC(C)C 62a_100000210206_100000090808 [0,1,0,0,0,0|2,0,0]=3 5047 B11R0.111 COC(=O)COCCSC(C)C 7a_200011212901_100000747449 [0,1,0,0,0,0|2,0,0]=3 5048 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100000747449_100011217483 [0,1,0,0,0,0|1,0,2]=4 5049 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100011217483_100000747449 [0,1,0,0,0,0|1,0,2]=4 5050 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,1,0,0,0,0|1,0,1]=3 5051 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,1,0,0,0,0|1,0,1]=3 5052 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100000747449_100102525003 [0,1,0,0,0,0|2,0,1]=4 5053 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100102525003_100000747449 [0,1,0,0,0,0|2,0,1]=4 5054 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [0,1,0,0,0,0|1,0,0]=2 5055 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [0,1,0,0,0,0|1,0,0]=2 5056 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,1,0,0,0,0|1,0,0]=2 5057 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,1,0,0,0,0|1,0,0]=2 5058 B11R0.111 COC(=O)CSCCCN(C)C 62a_100000747449_100000757444 [0,1,0,0,0,0|2,0,0]=3 5059 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000189650_100000747449 [0,1,0,0,0,0|2,0,1]=4 5060 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000747449_100000189650 [0,1,0,0,0,0|2,0,1]=4 5061 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100000747449_100009814007 [0,1,0,0,0,0|2,0,1]=4 5062 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100009814007_100000747449 [0,1,0,0,0,0|2,0,1]=4 5063 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000211751_100000747449 [0,1,0,0,0,0|2,0,0]=3 5064 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000747449_100000211751 [0,1,0,0,0,0|2,0,0]=3 5065 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000730970_100000747449 [0,1,0,0,0,0|2,0,0]=3 5066 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000747449_100000730970 [0,1,0,0,0,0|2,0,0]=3 5067 B11R0.111 COC(=O)NCCOCC(C)C 34a_100000757965_100000210624 [0,1,0,0,0,0|2,0,0]=3 5068 B11R0.111 COC(=O)NCCOCC(C)O 34a_100000757965_100011218427 [0,1,0,0,0,0|2,0,0]=3 5069 B11R0.111 COC(=O)NCCOCC(F)F 34a_100000757965_100011934356 [0,1,0,0,0,0|3,0,0]=4 5070 B11R0.111 COC(=O)NCCOC[C@@H](C)O 34a_100000757965_100009817552 [0,1,0,0,0,0|2,0,0]=3 5071 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,1,0,0,0,0|2,0,0]=3 5072 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,1,0,0,0,0|2,0,0]=3 5073 B11R0.111 COC(=O)OCCOCC(F)F 34a_100010262106_100011934356 [0,1,0,0,0,0|3,0,0]=4 5074 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,1,0,0,0,0|2,0,0]=3 5075 B11R0.111 COC(=O)OCSCCC(=O)C 62a_100000053229_100000139417 [0,1,0,0,0,0|2,0,1]=4 5076 B11R0.111 COC(=O)OCSCCC(C)C 62a_100000210312_100000139417 [0,1,0,0,0,0|2,0,0]=3 5077 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,1,0,0,0,0|2,0,0]=3 5078 B11R0.111 COC(=O)OCSCOC(C)C 62a_100000709892_100000139417 [0,1,0,0,0,0|3,0,0]=4 5079 B11R0.111 COC(C)CCOCCC(C)C 7a_100000764861_100000210626 [0,1,0,0,0,0|2,0,1]=4 5080 B11R0.111 COC(C)CCOCCC(C)O 7a_100000764861_100012276601 [0,1,0,0,0,0|2,0,1]=4 5081 B11R0.111 COC(C)COCCCC(C)C 34a_100000690652_100011214892 [0,1,0,0,0,0|2,0,1]=4 5082 B11R0.111 COC(C)COCCCC(C)O 34a_100000690652_200000718107 [0,1,0,0,0,0|2,0,1]=4 5083 B11R0.111 COC(C)SCCCCC(C)C 62a_100009879195_100011216152 [0,1,0,0,0,0|2,0,1]=4 5084 B11R0.111 COC(C)SCCCCC(C)C 62a_100011216152_100009879195 [0,1,0,0,0,0|2,0,1]=4 5085 B11R0.111 CO[C@H](C)CNCCCC(C)C 2230a_100020591295_100011214892 [0,1,0,0,0,0|2,0,1]=4 5086 B11R0.111 CO[C@H](C)CNCCCC(C)O 2230a_100020591295_200000718107 [0,1,0,0,0,0|2,0,1]=4 5087 B11R0.111 C[C@@H](O)COCCCC(=O)NN 34a_100000211488_100009817552 [0,1,0,0,0,0|3,0,0]=4 5088 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,1,0,0,0,0|1,0,1]=3 5089 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,1,0,0,0,0|1,0,1]=3 5090 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,1,0,0,0,0|1,0,1]=3 5091 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,1,0,0,0,0|1,0,1]=3 5092 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,1,0,0,0,0|2,0,1]=4 5093 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,1,0,0,0,0|1,0,1]=3 5094 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,1,0,0,0,0|1,0,1]=3 5095 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,1,0,0,0,0|1,0,1]=3 5096 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,1,0,0,0,0|1,0,1]=3 5097 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [0,1,0,0,0,0|3,0,0]=4 5098 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [0,1,0,0,0,0|3,0,0]=4 5099 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [0,1,0,0,0,0|3,0,0]=4 5100 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [0,1,0,0,0,0|3,0,0]=4 5101 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [0,1,0,0,0,0|3,0,0]=4 5102 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [0,1,0,0,0,0|3,0,0]=4 5103 B11R0.124 CCCCCNCC(OC)OC 2230a_100000209983_100000751394 [0,1,0,0,0,0|1,0,2]=4 5104 B11R0.124 CCCCCNCC(OC)OC 270004a_100000209983_100000752162 [0,1,0,0,0,0|1,0,2]=4 5105 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,1,0,0,0,0|2,0,1]=4 5106 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,1,0,0,0,0|2,0,1]=4 5107 B11R0.124 CCCCCOCC(OC)OC 34a_100000210253_100000211822 [0,1,0,0,0,0|1,0,2]=4 5108 B11R0.124 CCCCCOCC(OC)OC 34a_100011216393_100000718602 [0,1,0,0,0,0|1,0,2]=4 5109 B11R0.124 CCCCCOCC(OC)OC 7a_100000210253_100000751394 [0,1,0,0,0,0|1,0,2]=4 5110 B11R0.124 CCCCCSCC(OC)OC 62a_100000210326_100000751394 [0,1,0,0,0,0|1,0,2]=4 5111 B11R0.124 CCCCCSCC(OC)OC 62a_100000751394_100000210326 [0,1,0,0,0,0|1,0,2]=4 5112 B11R0.124 CCCCNCCC(OC)OC 2230a_100000102301_100009813347 [0,1,0,0,0,0|1,0,2]=4 5113 B11R0.124 CCCCNCCC(OC)OC 7a_106832991798_100009813347 [0,1,0,0,0,0|1,0,2]=4 5114 B11R0.124 CCCCOCCC(OC)OC 34a_100000210227_100000139399 [0,1,0,0,0,0|1,0,2]=4 5115 B11R0.124 CCCCOCCC(OC)OC 7a_100000210227_100009813347 [0,1,0,0,0,0|1,0,2]=4 5116 B11R0.124 CCCCSCCC(OC)OC 62a_100000139399_100000210210 [0,1,0,0,0,0|1,0,2]=4 5117 B11R0.124 CCCCSCCC(OC)OC 62a_100000210211_100000139399 [0,1,0,0,0,0|1,0,2]=4 5118 B11R0.124 CCCOCCCC(OC)OC 34a_100000210258_100000069011 [0,1,0,0,0,0|1,0,2]=4 5119 B11R0.124 CCCSCCCC(OC)OC 62a_100000069011_100000210303 [0,1,0,0,0,0|1,0,2]=4 5120 B11R0.124 CCCSCCCC(OC)OC 62a_100000210303_100000069011 [0,1,0,0,0,0|1,0,2]=4 5121 B11R0.124 CCOCCCCN(CC)N=O 34a_200000035056_100000210202 [0,1,0,0,0,0|3,0,0]=4 5122 B11R0.142 C#CC(=O)C(C)CCCCCC 1458a_100000211873_100011215978 [0,1,0,0,0,0|1,0,1]=3 5123 B11R0.142 C#CCCCNC(C)C(=O)OC 34a_100000718082_100000211248 [0,1,0,0,0,0|1,0,2]=4 5124 B11R0.142 C#CCCCOC(C)C(=O)OC 34a_100000215630_100000211248 [0,1,0,0,0,0|1,0,2]=4 5125 B11R0.142 C#CCCCOC(C)C(=O)OC 34a_100011215400_100000695029 [0,1,0,0,0,0|1,0,2]=4 5126 B11R0.142 C#CCCCOC(C)C(=O)OC 7a_100000215630_100000211248 [0,1,0,0,0,0|1,0,2]=4 5127 B11R0.142 C#CCCCSC(C)C(=O)OC 62a_100000211248_100011215417 [0,1,0,0,0,0|1,0,2]=4 5128 B11R0.142 C#CCCCSC(C)C(=O)OC 62a_100011215417_100000211248 [0,1,0,0,0,0|1,0,2]=4 5129 B11R0.142 C#CCCNCC(C)C(=O)OC 34a_100000755551_100000698445 [0,1,0,0,0,0|1,0,2]=4 5130 B11R0.142 C#CCCOCC(C)C(=O)OC 34a_100000749362_100000688953 [0,1,0,0,0,0|1,0,2]=4 5131 B11R0.142 C#CCCOCC(C)C(=O)OC 34a_100011215631_100000698445 [0,1,0,0,0,0|1,0,2]=4 5132 B11R0.142 C#CCCOCC(C)C(=O)OC 7a_100000749362_100000688953 [0,1,0,0,0,0|1,0,2]=4 5133 B11R0.142 C#CCCOCC(F)C(=O)OC 34a_200009849844_100000688953 [0,1,0,0,0,0|1,0,2]=4 5134 B11R0.142 C#CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000688953 [0,1,0,0,0,0|1,0,2]=4 5135 B11R0.142 C#CCCSCC(C)C(=O)OC 62a_100000688953_100000698445 [0,1,0,0,0,0|1,0,2]=4 5136 B11R0.142 C#CCCSCC(C)C(=O)OC 62a_100000698445_100000688953 [0,1,0,0,0,0|1,0,2]=4 5137 B11R0.142 C#CCNCCC(C)C(=O)OC 34a_100000212058_100000034942 [0,1,0,0,0,0|1,0,2]=4 5138 B11R0.142 C#CCOCCC(C)C(=O)OC 34a_100000210247_100000034942 [0,1,0,0,0,0|1,0,2]=4 5139 B11R0.142 C#CCSCCC(C)C(=O)OC 62a_100000038162_100000034942 [0,1,0,0,0,0|1,0,2]=4 5140 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [0,1,0,0,0,0|2,0,1]=4 5141 B11R0.142 C/C=C(\C)/C(C)NCCCCC 269862a_100000209983_100020675665 [0,1,0,0,0,0|3,0,0]=4 5142 B11R0.142 C/C=C/CCOC(C)C(=O)OC 34a_100016278192_100000211248 [0,1,0,0,0,0|1,0,2]=4 5143 B11R0.142 C/C=C/COCC(C)C(=O)OC 34a_100000749362_100102629194 [0,1,0,0,0,0|1,0,2]=4 5144 B11R0.142 C/C=C/COCC(C)C(=O)OC 34a_100016270725_100000698445 [0,1,0,0,0,0|1,0,2]=4 5145 B11R0.142 C/C=C/COCC(C)C(=O)OC 7a_100000749362_100102629194 [0,1,0,0,0,0|1,0,2]=4 5146 B11R0.142 C/C=C/COCC(F)C(=O)OC 34a_200009849844_100102629194 [0,1,0,0,0,0|1,0,2]=4 5147 B11R0.142 C/C=C/COC[C@@H](N)C(=O)OC 34a_100000003586_100102629194 [0,1,0,0,0,0|1,0,2]=4 5148 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100000698445_100102629194 [0,1,0,0,0,0|1,0,2]=4 5149 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100102629194_100000698445 [0,1,0,0,0,0|1,0,2]=4 5150 B11R0.142 C=C(CNCCCF)C(=O)OC 34a_100015189416_100009813391 [0,1,0,0,0,0|2,0,1]=4 5151 B11R0.142 C=C(COCCCBr)C(=O)OC 34a_100011217188_100009813391 [0,1,0,0,0,0|2,0,1]=4 5152 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [0,1,0,0,0,0|1,0,1]=3 5153 B11R0.142 C=C(COCCCCl)C(=O)OC 34a_100000230001_100009813391 [0,1,0,0,0,0|2,0,1]=4 5154 B11R0.142 C=C(COCCCF)C(=O)OC 34a_100000759539_100009813391 [0,1,0,0,0,0|2,0,1]=4 5155 B11R0.142 C=C(COCCCN)C(=O)OC 34a_100000182051_100009813391 [0,1,0,0,0,0|2,0,1]=4 5156 B11R0.142 C=C(COCCOC)C(=O)OC 34a_100000210237_100009813391 [0,1,0,0,0,0|2,0,1]=4 5157 B11R0.142 C=C(COCCSC)C(=O)OC 34a_100000230434_100009813391 [0,1,0,0,0,0|2,0,1]=4 5158 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [0,1,0,0,0,0|1,0,1]=3 5159 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [0,1,0,0,0,0|1,0,1]=3 5160 B11R0.142 C=C(CSCCCF)C(=O)OC 62a_100009813391_100011934791 [0,1,0,0,0,0|2,0,1]=4 5161 B11R0.142 C=C(CSCCCF)C(=O)OC 62a_100011934791_100009813391 [0,1,0,0,0,0|2,0,1]=4 5162 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100009813391_100011215043 [0,1,0,0,0,0|2,0,1]=4 5163 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100011215043_100009813391 [0,1,0,0,0,0|2,0,1]=4 5164 B11R0.142 C=C(CSCCOC)C(=O)OC 62a_100000233755_100009813391 [0,1,0,0,0,0|2,0,1]=4 5165 B11R0.142 C=C(CSCCOC)C(=O)OC 62a_100009813391_100000233755 [0,1,0,0,0,0|2,0,1]=4 5166 B11R0.142 C=C(CSCCSC)C(=O)OC 62a_100000212216_100009813391 [0,1,0,0,0,0|2,0,1]=4 5167 B11R0.142 C=C(CSCCSC)C(=O)OC 62a_100009813391_100000751147 [0,1,0,0,0,0|2,0,1]=4 5168 B11R0.142 C=C(CSCOCC)C(=O)OC 62a_100000739092_100009813391 [0,1,0,0,0,0|2,0,1]=4 5169 B11R0.142 C=C(CSCOCC)C(=O)OC 62a_100009813391_100000739092 [0,1,0,0,0,0|2,0,1]=4 5170 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,1,0,0,0,0|1,0,1]=3 5171 B11R0.142 C=CC(=O)N(C)CCCCCC 1626a_106256046315_100000185746 [0,1,0,0,0,0|2,0,1]=4 5172 B11R0.142 C=CC(=O)N(C)CCCCCC 240690a_106256046315_200121576911 [0,1,0,0,0,0|2,0,1]=4 5173 B11R0.142 C=CCCCNC(C)C(=O)OC 2230a_100000700776_100000211248 [0,1,0,0,0,0|1,0,2]=4 5174 B11R0.142 C=CCCCNC(C)C(=O)OC 34a_100000700776_100000211248 [0,1,0,0,0,0|1,0,2]=4 5175 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100000758997_100000211248 [0,1,0,0,0,0|1,0,2]=4 5176 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100011215400_100000757094 [0,1,0,0,0,0|1,0,2]=4 5177 B11R0.142 C=CCCCOC(C)C(=O)OC 7a_100000758997_100000211248 [0,1,0,0,0,0|1,0,2]=4 5178 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100000211248_100000757094 [0,1,0,0,0,0|1,0,2]=4 5179 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100011713584_100000211248 [0,1,0,0,0,0|1,0,2]=4 5180 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100000749362_100000754431 [0,1,0,0,0,0|1,0,2]=4 5181 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100011205117_100000698445 [0,1,0,0,0,0|1,0,2]=4 5182 B11R0.142 C=CCCOCC(C)C(=O)OC 7a_100000749362_100000754431 [0,1,0,0,0,0|1,0,2]=4 5183 B11R0.142 C=CCCOCC(F)C(=O)OC 34a_200009849844_100000754431 [0,1,0,0,0,0|1,0,2]=4 5184 B11R0.142 C=CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000754431 [0,1,0,0,0,0|1,0,2]=4 5185 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000698445_100000754431 [0,1,0,0,0,0|1,0,2]=4 5186 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000754431_100000698445 [0,1,0,0,0,0|1,0,2]=4 5187 B11R0.142 C=CCNCCC(C)C(=O)OC 2230a_100020586998_100000034942 [0,1,0,0,0,0|1,0,2]=4 5188 B11R0.142 C=CCOCCC(C)C(=O)OC 34a_200000210373_100000034942 [0,1,0,0,0,0|1,0,2]=4 5189 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000034942_100000210623 [0,1,0,0,0,0|1,0,2]=4 5190 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000210623_100000034942 [0,1,0,0,0,0|1,0,2]=4 5191 B11R0.142 CC#CCCOC(C)C(=O)OC 34a_100000750427_100000211248 [0,1,0,0,0,0|1,0,2]=4 5192 B11R0.142 CC#CCNCC(C)C(=O)OC 34a_100000685387_100000698445 [0,1,0,0,0,0|1,0,2]=4 5193 B11R0.142 CC#CCOCC(C)C(=O)OC 34a_100000749362_100000748600 [0,1,0,0,0,0|1,0,2]=4 5194 B11R0.142 CC#CCOCC(C)C(=O)OC 34a_100000761923_100000698445 [0,1,0,0,0,0|1,0,2]=4 5195 B11R0.142 CC#CCOCC(C)C(=O)OC 7a_100000749362_100000748600 [0,1,0,0,0,0|1,0,2]=4 5196 B11R0.142 CC#CCOCC(F)C(=O)OC 34a_200009849844_100000748600 [0,1,0,0,0,0|1,0,2]=4 5197 B11R0.142 CC#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000748600 [0,1,0,0,0,0|1,0,2]=4 5198 B11R0.142 CC#CCSCC(C)C(=O)OC 62a_100000698445_100000748600 [0,1,0,0,0,0|1,0,2]=4 5199 B11R0.142 CC#CCSCC(C)C(=O)OC 62a_100000748600_100000698445 [0,1,0,0,0,0|1,0,2]=4 5200 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100011215400_100103147603 [0,1,0,0,0,0|1,0,2]=4 5201 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100016268518_100000211248 [0,1,0,0,0,0|1,0,2]=4 5202 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100000211248_100103147603 [0,1,0,0,0,0|1,0,2]=4 5203 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100103147603_100000211248 [0,1,0,0,0,0|1,0,2]=4 5204 B11R0.142 CC=CCOCC(C)C(=O)OC 34a_100000749362_100000070051 [0,1,0,0,0,0|1,0,2]=4 5205 B11R0.142 CC=CCOCC(C)C(=O)OC 7a_100000749362_100000070051 [0,1,0,0,0,0|1,0,2]=4 5206 B11R0.142 CC=CCOCC(F)C(=O)OC 34a_200009849844_100000070051 [0,1,0,0,0,0|1,0,2]=4 5207 B11R0.142 CC=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000070051 [0,1,0,0,0,0|1,0,2]=4 5208 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000070051_100000698445 [0,1,0,0,0,0|1,0,2]=4 5209 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000698445_100000070051 [0,1,0,0,0,0|1,0,2]=4 5210 B11R0.142 CCC#CCOC(C)C(=O)OC 34a_100000032950_100000211248 [0,1,0,0,0,0|1,0,2]=4 5211 B11R0.142 CCC#CCOC(C)C(=O)OC 34a_100011215400_100009813939 [0,1,0,0,0,0|1,0,2]=4 5212 B11R0.142 CCC#CCSC(C)C(=O)OC 62a_100000211248_100009813939 [0,1,0,0,0,0|1,0,2]=4 5213 B11R0.142 CCC#CCSC(C)C(=O)OC 62a_100009813939_100000211248 [0,1,0,0,0,0|1,0,2]=4 5214 B11R0.142 CCC(=O)C(C)NCCCCO 2230a_100000750430_100000742827 [0,1,0,0,0,0|3,0,0]=4 5215 B11R0.142 CCC(=O)C(C)NCCCSC 2230a_100000749238_100000742827 [0,1,0,0,0,0|3,0,0]=4 5216 B11R0.142 CCC(=O)C(C)OCCCCCl 7a_100000210776_100000742827 [0,1,0,0,0,0|3,0,0]=4 5217 B11R0.142 CCC(=O)C(C)OCCCCF 7a_100011995726_100000742827 [0,1,0,0,0,0|3,0,0]=4 5218 B11R0.142 CCC(=O)C(C)OCCCSC 7a_100000690336_100000742827 [0,1,0,0,0,0|3,0,0]=4 5219 B11R0.142 CCC(=O)C(C)SCCCCF 62a_100000729493_100000742827 [0,1,0,0,0,0|3,0,0]=4 5220 B11R0.142 CCC(=O)C(C)SCCCCF 62a_100000742827_100000729493 [0,1,0,0,0,0|3,0,0]=4 5221 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000210776_100000742827 [0,1,0,0,0,0|3,0,0]=4 5222 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000742827_100000210776 [0,1,0,0,0,0|3,0,0]=4 5223 B11R0.142 CCC(=O)C(C)SCCCOC 62a_100000709357_100000742827 [0,1,0,0,0,0|3,0,0]=4 5224 B11R0.142 CCC(=O)C(C)SCCCOC 62a_100000742827_100000709357 [0,1,0,0,0,0|3,0,0]=4 5225 B11R0.142 CCC(=O)N(C)CCCCCO 240690a_100000722520_100000210414 [0,1,0,0,0,0|3,0,0]=4 5226 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,1,0,0,0,0|1,0,1]=3 5227 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,1,0,0,0,0|1,0,2]=4 5228 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,0,0,0,0|1,0,0]=2 5229 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,1,0,0,0,0|2,0,0]=3 5230 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,1,0,0,0,0|3,0,0]=4 5231 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,1,0,0,0,0|3,0,0]=4 5232 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,0,0,0,0|1,0,0]=2 5233 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,1,0,0,0,0|2,0,0]=3 5234 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,1,0,0,0,0|1,0,0]=2 5235 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,1,0,0,0,0|2,0,0]=3 5236 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,1,0,0,0,0|2,0,0]=3 5237 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,1,0,0,0,0|2,0,0]=3 5238 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,1,0,0,0,0|2,0,0]=3 5239 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,1,0,0,0,0|3,0,0]=4 5240 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,1,0,0,0,0|3,0,0]=4 5241 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [0,1,0,0,0,0|2,0,0]=3 5242 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [0,1,0,0,0,0|2,0,0]=3 5243 B11R0.142 CCCCCCN(C)C(C)OC 269982a_106256046315_100009879195 [0,1,0,0,0,0|2,0,1]=4 5244 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 5245 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 5246 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 5247 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,1,0,0,0,0|1,0,1]=3 5248 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,1,0,0,0,0|1,0,1]=3 5249 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,1,0,0,0,0|1,0,1]=3 5250 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,1,0,0,0,0|1,0,1]=3 5251 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,1,0,0,0,0|2,0,0]=3 5252 B11R0.142 CCCCCNC(C)C(=O)NC 2230a_100000209983_100000731044 [0,1,0,0,0,0|2,0,0]=3 5253 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,1,0,0,0,0|1,0,0]=2 5254 B11R0.142 CCCCCNC(F)C(=O)NC 2230a_100000209983_100009813575 [0,1,0,0,0,0|2,0,0]=3 5255 B11R0.142 CCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210326 [0,1,0,0,0,0|2,0,0]=3 5256 B11R0.142 CCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000718602 [0,1,0,0,0,0|2,0,0]=3 5257 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,1,0,0,0,0|2,0,0]=3 5258 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [0,1,0,0,0,0|2,0,0]=3 5259 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [0,1,0,0,0,0|2,0,0]=3 5260 B11R0.142 CCCCCOC(C)C(=O)NN 34a_100000725659_100000718602 [0,1,0,0,0,0|3,0,0]=4 5261 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,1,0,0,0,0|1,0,0]=2 5262 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,1,0,0,0,0|1,0,0]=2 5263 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,1,0,0,0,0|1,0,0]=2 5264 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [0,1,0,0,0,0|2,0,0]=3 5265 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [0,1,0,0,0,0|2,0,0]=3 5266 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,1,0,0,0,0|2,0,0]=3 5267 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,1,0,0,0,0|2,0,0]=3 5268 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000209862_100000210326 [0,1,0,0,0,0|2,0,0]=3 5269 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000210326_100000731044 [0,1,0,0,0,0|2,0,0]=3 5270 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,1,0,0,0,0|1,0,0]=2 5271 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,1,0,0,0,0|1,0,0]=2 5272 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100000210326_100009813575 [0,1,0,0,0,0|2,0,0]=3 5273 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100009813575_100000210326 [0,1,0,0,0,0|2,0,0]=3 5274 B11R0.142 CCCCNCC(C)C(=O)NC 2230a_100015187722_100000210211 [0,1,0,0,0,0|2,0,0]=3 5275 B11R0.142 CCCCNCC(C)C(=O)NC 34a_100015187722_100000210210 [0,1,0,0,0,0|2,0,0]=3 5276 B11R0.142 CCCCNN=C(C)C(=O)OC 4a_100025702795_100000211753 [0,1,0,0,0,0|2,0,1]=4 5277 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [0,1,0,0,0,0|2,0,1]=4 5278 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,1,0,0,0,0|1,0,1]=3 5279 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,1,0,0,0,0|1,0,0]=2 5280 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,1,0,0,0,0|1,0,0]=2 5281 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,1,0,0,0,0|1,0,0]=2 5282 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,1,0,0,0,0|1,0,0]=2 5283 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,1,0,0,0,0|3,0,0]=4 5284 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,1,0,0,0,0|1,0,0]=2 5285 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,1,0,0,0,0|1,0,1]=3 5286 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,1,0,0,0,0|1,0,1]=3 5287 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,1,0,0,0,0|1,0,0]=2 5288 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,1,0,0,0,0|1,0,0]=2 5289 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [0,1,0,0,0,0|2,0,1]=4 5290 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,1,0,0,0,0|1,0,0]=2 5291 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,1,0,0,0,0|1,0,0]=2 5292 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,1,0,0,0,0|1,0,0]=2 5293 B11R0.142 CCOCCCC(=O)C(=O)NC 1458a_100011218921_100012232248 [0,1,0,0,0,0|2,0,1]=4 5294 B11R0.142 CCOCCNC(=O)C(=O)OC 11a_100011200944_100000024059 [0,1,0,0,0,0|2,0,1]=4 5295 B11R0.142 CCOCCNC(=O)C(=O)OC 1626a_102516460346_100000024059 [0,1,0,0,0,0|2,0,1]=4 5296 B11R0.142 CCOCCNC(=O)C(=O)OC 240690a_100011200944_100000024059 [0,1,0,0,0,0|2,0,1]=4 5297 B11R0.142 CCOCCNC(=O)C(=O)OC 527a_100011200944_100000024059 [0,1,0,0,0,0|2,0,1]=4 5298 B11R0.142 CCOCCNC(C)C(=O)CC 2230a_102516460346_100000742827 [0,1,0,0,0,0|3,0,0]=4 5299 B11R0.142 CCOCCNC(C)C(=O)NC 2230a_102516460346_100000731044 [0,1,0,0,0,0|3,0,0]=4 5300 B11R0.142 CCOCCNC(C)C(=O)NC 34a_102516460346_100000731044 [0,1,0,0,0,0|3,0,0]=4 5301 B11R0.142 CCOCCNC(C)C(=O)OC 2230a_102516460346_100000211248 [0,1,0,0,0,0|2,0,0]=3 5302 B11R0.142 CCOCCNC(C)C(=O)OC 34a_102516460346_100000211248 [0,1,0,0,0,0|2,0,0]=3 5303 B11R0.142 CCOCCNC(F)C(=O)NC 2230a_102516460346_100009813575 [0,1,0,0,0,0|3,0,0]=4 5304 B11R0.142 CCOCCNC(F)C(=O)NC 34a_102516460346_100009813575 [0,1,0,0,0,0|3,0,0]=4 5305 B11R0.142 CCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215890 [0,1,0,0,0,0|3,0,0]=4 5306 B11R0.142 CCOCCN[C@H](C)C(=O)NC 34a_100000684985_100000210147 [0,1,0,0,0,0|3,0,0]=4 5307 B11R0.142 CCOCCOC(C)C(=O)CC 1458a_100000743585_100000210202 [0,1,0,0,0,0|3,0,0]=4 5308 B11R0.142 CCOCCOC(C)C(=O)CC 7a_100000210136_100000742827 [0,1,0,0,0,0|3,0,0]=4 5309 B11R0.142 CCOCCOC(C)C(=O)NC 11a_106832991635_100000743585 [0,1,0,0,0,0|3,0,0]=4 5310 B11R0.142 CCOCCOC(C)C(=O)NC 1626a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 5311 B11R0.142 CCOCCOC(C)C(=O)NC 240690a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 5312 B11R0.142 CCOCCOC(C)C(=O)NC 34a_100000210136_100000731044 [0,1,0,0,0,0|3,0,0]=4 5313 B11R0.142 CCOCCOC(C)C(=O)NC 527a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 5314 B11R0.142 CCOCCOC(C)C(=O)NC 7a_100000210136_100000209862 [0,1,0,0,0,0|3,0,0]=4 5315 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100000210136_100000211248 [0,1,0,0,0,0|2,0,0]=3 5316 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100011215400_100000210147 [0,1,0,0,0,0|2,0,0]=3 5317 B11R0.142 CCOCCOC(C)C(=O)OC 7a_100000210136_100000211248 [0,1,0,0,0,0|2,0,0]=3 5318 B11R0.142 CCOCCOC(F)C(=O)NC 34a_100000210136_100009813575 [0,1,0,0,0,0|3,0,0]=4 5319 B11R0.142 CCOCCOC(F)C(=O)NC 7a_100000210136_100009813575 [0,1,0,0,0,0|3,0,0]=4 5320 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000210147_100000742827 [0,1,0,0,0,0|3,0,0]=4 5321 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000742827_100011215890 [0,1,0,0,0,0|3,0,0]=4 5322 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000209862_100011215890 [0,1,0,0,0,0|3,0,0]=4 5323 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000210147_100000731044 [0,1,0,0,0,0|3,0,0]=4 5324 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000210147_100000211248 [0,1,0,0,0,0|2,0,0]=3 5325 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000211248_100011215890 [0,1,0,0,0,0|2,0,0]=3 5326 B11R0.142 CCOCCSC(F)C(=O)NC 62a_100000210147_100009813575 [0,1,0,0,0,0|3,0,0]=4 5327 B11R0.142 CCOCCSC(F)C(=O)NC 62a_100009813575_100011215890 [0,1,0,0,0,0|3,0,0]=4 5328 B11R0.142 CCOCSCC(=O)C(=O)OC 62a_100000739092_100011610305 [0,1,0,0,0,0|2,0,1]=4 5329 B11R0.142 CCOCSCC(=O)C(=O)OC 62a_100011610305_100000739092 [0,1,0,0,0,0|2,0,1]=4 5330 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000698445_100000739092 [0,1,0,0,0,0|2,0,0]=3 5331 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000739092_100000698445 [0,1,0,0,0,0|2,0,0]=3 5332 B11R0.142 CCSCCNC(=O)C(=O)OC 11a_100000106463_100000024059 [0,1,0,0,0,0|2,0,1]=4 5333 B11R0.142 CCSCCNC(=O)C(=O)OC 1626a_100000106463_100000024059 [0,1,0,0,0,0|2,0,1]=4 5334 B11R0.142 CCSCCNC(=O)C(=O)OC 240690a_100000106463_100000024059 [0,1,0,0,0,0|2,0,1]=4 5335 B11R0.142 CCSCCNC(=O)C(=O)OC 527a_100000106463_100000024059 [0,1,0,0,0,0|2,0,1]=4 5336 B11R0.142 CCSCCNC(C)C(=O)CC 2230a_100000106463_100000742827 [0,1,0,0,0,0|3,0,0]=4 5337 B11R0.142 CCSCCNC(C)C(=O)NC 2230a_100000106463_100000731044 [0,1,0,0,0,0|3,0,0]=4 5338 B11R0.142 CCSCCNC(C)C(=O)OC 2230a_100000106463_100000211248 [0,1,0,0,0,0|2,0,0]=3 5339 B11R0.142 CCSCCNC(F)C(=O)NC 2230a_100000106463_100009813575 [0,1,0,0,0,0|3,0,0]=4 5340 B11R0.142 CCSCCN[C@H](C)C(=O)NC 2230a_100000684985_100000757381 [0,1,0,0,0,0|3,0,0]=4 5341 B11R0.142 CCSCCN[C@H](C)C(=O)NC 34a_100000684985_100000757381 [0,1,0,0,0,0|3,0,0]=4 5342 B11R0.142 CCSCCOC(C)C(=O)CC 7a_100000212035_100000742827 [0,1,0,0,0,0|3,0,0]=4 5343 B11R0.142 CCSCCOC(C)C(=O)NC 34a_100000212035_100000731044 [0,1,0,0,0,0|3,0,0]=4 5344 B11R0.142 CCSCCOC(C)C(=O)NC 7a_100000212035_100000209862 [0,1,0,0,0,0|3,0,0]=4 5345 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100000212035_100000211248 [0,1,0,0,0,0|2,0,0]=3 5346 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100011215400_100000757381 [0,1,0,0,0,0|2,0,0]=3 5347 B11R0.142 CCSCCOC(C)C(=O)OC 7a_100000212035_100000211248 [0,1,0,0,0,0|2,0,0]=3 5348 B11R0.142 CCSCCOC(F)C(=O)NC 34a_100000212035_100009813575 [0,1,0,0,0,0|3,0,0]=4 5349 B11R0.142 CCSCCOC(F)C(=O)NC 7a_100000212035_100009813575 [0,1,0,0,0,0|3,0,0]=4 5350 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000742827_100000757381 [0,1,0,0,0,0|3,0,0]=4 5351 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000757381_100000742827 [0,1,0,0,0,0|3,0,0]=4 5352 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000209862_100000757381 [0,1,0,0,0,0|3,0,0]=4 5353 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000757381_100000731044 [0,1,0,0,0,0|3,0,0]=4 5354 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000211248_100000757381 [0,1,0,0,0,0|2,0,0]=3 5355 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000757381_100000211248 [0,1,0,0,0,0|2,0,0]=3 5356 B11R0.142 CCSCCSC(F)C(=O)NC 62a_100000757381_100009813575 [0,1,0,0,0,0|3,0,0]=4 5357 B11R0.142 CCSCCSC(F)C(=O)NC 62a_100009813575_100000757381 [0,1,0,0,0,0|3,0,0]=4 5358 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [0,1,0,0,0,0|2,0,1]=4 5359 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,1,0,0,0,0|2,0,1]=4 5360 B11R0.142 CNC(=O)C(=O)CCCCOC 1458a_100011218921_100000755781 [0,1,0,0,0,0|2,0,1]=4 5361 B11R0.142 CNC(=O)C(C)CNCCCF 2230a_100015187722_100011934791 [0,1,0,0,0,0|3,0,0]=4 5362 B11R0.142 CNC(=O)C(C)CNCCCF 34a_100015187722_100011934791 [0,1,0,0,0,0|3,0,0]=4 5363 B11R0.142 CNC(=O)C(C)CNCCCO 2230a_100015187722_100000230001 [0,1,0,0,0,0|3,0,0]=4 5364 B11R0.142 CNC(=O)C(C)CNCCCO 34a_100015187722_100000230001 [0,1,0,0,0,0|3,0,0]=4 5365 B11R0.142 CNC(=O)C(C)CNCCOC 2230a_100015187722_100011201679 [0,1,0,0,0,0|3,0,0]=4 5366 B11R0.142 CNC(=O)C(C)CNCCOC 34a_100015187722_100011201679 [0,1,0,0,0,0|3,0,0]=4 5367 B11R0.142 CNC(=O)C(C)CNCCSC 2230a_100015187722_100000751147 [0,1,0,0,0,0|3,0,0]=4 5368 B11R0.142 CNC(=O)C(C)CNCCSC 34a_100015187722_100000212216 [0,1,0,0,0,0|3,0,0]=4 5369 B11R0.142 CNC(=O)C(C)NCCCCO 2230a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 5370 B11R0.142 CNC(=O)C(C)NCCCCO 34a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 5371 B11R0.142 CNC(=O)C(C)NCCCOC 34a_100150723488_100000731044 [0,1,0,0,0,0|3,0,0]=4 5372 B11R0.142 CNC(=O)C(C)NCCCSC 2230a_100000749238_100000731044 [0,1,0,0,0,0|3,0,0]=4 5373 B11R0.142 CNC(=O)C(C)OCCCCBr 34a_100011216708_100000731044 [0,1,0,0,0,0|3,0,0]=4 5374 B11R0.142 CNC(=O)C(C)OCCCCCl 34a_100000210776_100000731044 [0,1,0,0,0,0|3,0,0]=4 5375 B11R0.142 CNC(=O)C(C)OCCCCCl 7a_100000210776_100000209862 [0,1,0,0,0,0|3,0,0]=4 5376 B11R0.142 CNC(=O)C(C)OCCCCF 34a_100011995726_100000731044 [0,1,0,0,0,0|3,0,0]=4 5377 B11R0.142 CNC(=O)C(C)OCCCCF 7a_100011995726_100000209862 [0,1,0,0,0,0|3,0,0]=4 5378 B11R0.142 CNC(=O)C(C)OCCCCI 34a_200012148704_100000731044 [0,1,0,0,0,0|3,0,0]=4 5379 B11R0.142 CNC(=O)C(C)OCCCCN 34a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 5380 B11R0.142 CNC(=O)C(C)OCCCOC 34a_100000740835_100000731044 [0,1,0,0,0,0|3,0,0]=4 5381 B11R0.142 CNC(=O)C(C)OCCCSC 34a_100000690336_100000731044 [0,1,0,0,0,0|3,0,0]=4 5382 B11R0.142 CNC(=O)C(C)OCCCSC 7a_100000690336_100000209862 [0,1,0,0,0,0|3,0,0]=4 5383 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000209862_100000729493 [0,1,0,0,0,0|3,0,0]=4 5384 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000729493_100000731044 [0,1,0,0,0,0|3,0,0]=4 5385 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000209862_100000210776 [0,1,0,0,0,0|3,0,0]=4 5386 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000210776_100000731044 [0,1,0,0,0,0|3,0,0]=4 5387 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000209862_100000709357 [0,1,0,0,0,0|3,0,0]=4 5388 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000709357_100000731044 [0,1,0,0,0,0|3,0,0]=4 5389 B11R0.142 CNC(=O)C(F)NCCCCO 2230a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 5390 B11R0.142 CNC(=O)C(F)NCCCCO 34a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 5391 B11R0.142 CNC(=O)C(F)NCCCOC 34a_100150723488_100009813575 [0,1,0,0,0,0|3,0,0]=4 5392 B11R0.142 CNC(=O)C(F)NCCCSC 2230a_100000749238_100009813575 [0,1,0,0,0,0|3,0,0]=4 5393 B11R0.142 CNC(=O)C(F)OCCCCBr 34a_100011216708_100009813575 [0,1,0,0,0,0|3,0,0]=4 5394 B11R0.142 CNC(=O)C(F)OCCCCCl 34a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 5395 B11R0.142 CNC(=O)C(F)OCCCCCl 7a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 5396 B11R0.142 CNC(=O)C(F)OCCCCF 34a_100011995726_100009813575 [0,1,0,0,0,0|3,0,0]=4 5397 B11R0.142 CNC(=O)C(F)OCCCCF 7a_100011995726_100009813575 [0,1,0,0,0,0|3,0,0]=4 5398 B11R0.142 CNC(=O)C(F)OCCCCI 34a_200012148704_100009813575 [0,1,0,0,0,0|3,0,0]=4 5399 B11R0.142 CNC(=O)C(F)OCCCCN 34a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 5400 B11R0.142 CNC(=O)C(F)OCCCOC 34a_100000740835_100009813575 [0,1,0,0,0,0|3,0,0]=4 5401 B11R0.142 CNC(=O)C(F)OCCCSC 34a_100000690336_100009813575 [0,1,0,0,0,0|3,0,0]=4 5402 B11R0.142 CNC(=O)C(F)OCCCSC 7a_100000690336_100009813575 [0,1,0,0,0,0|3,0,0]=4 5403 B11R0.142 CNC(=O)C(F)SCCCCF 62a_100000729493_100009813575 [0,1,0,0,0,0|3,0,0]=4 5404 B11R0.142 CNC(=O)C(F)SCCCCF 62a_100009813575_100000729493 [0,1,0,0,0,0|3,0,0]=4 5405 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 5406 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100009813575_100000210776 [0,1,0,0,0,0|3,0,0]=4 5407 B11R0.142 CNC(=O)C(F)SCCCOC 62a_100000709357_100009813575 [0,1,0,0,0,0|3,0,0]=4 5408 B11R0.142 CNC(=O)C(F)SCCCOC 62a_100009813575_100000709357 [0,1,0,0,0,0|3,0,0]=4 5409 B11R0.142 CNC(=O)N(C)CCCCCO 2708a_100102657272_100000722520 [0,1,0,0,0,0|3,0,0]=4 5410 B11R0.142 CNC(=O)N(C)CCCCCO 273464a_100102657272_100000722520 [0,1,0,0,0,0|3,0,0]=4 5411 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 2230a_100000684985_100000729493 [0,1,0,0,0,0|3,0,0]=4 5412 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 34a_100000684985_100000729493 [0,1,0,0,0,0|3,0,0]=4 5413 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 2230a_100000684985_100000210776 [0,1,0,0,0,0|3,0,0]=4 5414 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 34a_100000684985_100011216708 [0,1,0,0,0,0|3,0,0]=4 5415 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 2230a_100000684985_100000740836 [0,1,0,0,0,0|3,0,0]=4 5416 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 34a_100000684985_100000740836 [0,1,0,0,0,0|3,0,0]=4 5417 B11R0.142 CNCCCOC(C)C(=O)NC 34a_100000213112_100000731044 [0,1,0,0,0,0|3,0,0]=4 5418 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,1,0,0,0,0|2,0,0]=3 5419 B11R0.142 CNCCCOC(F)C(=O)NC 34a_100000213112_100009813575 [0,1,0,0,0,0|3,0,0]=4 5420 B11R0.142 COC(=O)C(=O)CNCCCF 34a_100015189416_100011610305 [0,1,0,0,0,0|2,0,1]=4 5421 B11R0.142 COC(=O)C(=O)COCCCBr 34a_100011217188_100011610305 [0,1,0,0,0,0|2,0,1]=4 5422 B11R0.142 COC(=O)C(=O)COCCCCl 34a_100000230001_100011610305 [0,1,0,0,0,0|2,0,1]=4 5423 B11R0.142 COC(=O)C(=O)COCCCF 34a_100000759539_100011610305 [0,1,0,0,0,0|2,0,1]=4 5424 B11R0.142 COC(=O)C(=O)COCCCN 34a_100000182051_100011610305 [0,1,0,0,0,0|2,0,1]=4 5425 B11R0.142 COC(=O)C(=O)COCCSC 34a_100000230434_100011610305 [0,1,0,0,0,0|2,0,1]=4 5426 B11R0.142 COC(=O)C(=O)CSCCCF 62a_100011610305_100011934791 [0,1,0,0,0,0|2,0,1]=4 5427 B11R0.142 COC(=O)C(=O)CSCCCF 62a_100011934791_100011610305 [0,1,0,0,0,0|2,0,1]=4 5428 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011215043_100011610305 [0,1,0,0,0,0|2,0,1]=4 5429 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011610305_100011215043 [0,1,0,0,0,0|2,0,1]=4 5430 B11R0.142 COC(=O)C(=O)CSCCSC 62a_100000212216_100011610305 [0,1,0,0,0,0|2,0,1]=4 5431 B11R0.142 COC(=O)C(=O)CSCCSC 62a_100011610305_100000751147 [0,1,0,0,0,0|2,0,1]=4 5432 B11R0.142 COC(=O)C(=O)NCCCCO 240690a_100000750430_100000024059 [0,1,0,0,0,0|2,0,1]=4 5433 B11R0.142 COC(=O)C(=O)NCCCCO 527a_100000750430_100000024059 [0,1,0,0,0,0|2,0,1]=4 5434 B11R0.142 COC(=O)C(=O)NCCCSC 11a_100000749238_100000024059 [0,1,0,0,0,0|2,0,1]=4 5435 B11R0.142 COC(=O)C(=O)NCCCSC 1626a_100000749238_100000024059 [0,1,0,0,0,0|2,0,1]=4 5436 B11R0.142 COC(=O)C(=O)NCCCSC 240690a_100000749238_100000024059 [0,1,0,0,0,0|2,0,1]=4 5437 B11R0.142 COC(=O)C(=O)NCCCSC 527a_100000749238_100000024059 [0,1,0,0,0,0|2,0,1]=4 5438 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [0,1,0,0,0,0|2,0,0]=3 5439 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,1,0,0,0,0|2,0,0]=3 5440 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,1,0,0,0,0|2,0,0]=3 5441 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [0,1,0,0,0,0|2,0,0]=3 5442 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [0,1,0,0,0,0|2,0,0]=3 5443 B11R0.142 COC(=O)C(C)CCSCC#N 62a_100000034942_100011215382 [0,1,0,0,0,0|2,0,1]=4 5444 B11R0.142 COC(=O)C(C)CCSCC#N 62a_100011215382_100000034942 [0,1,0,0,0,0|2,0,1]=4 5445 B11R0.142 COC(=O)C(C)CCSCC=O 62a_100000034942_200015260668 [0,1,0,0,0,0|2,0,1]=4 5446 B11R0.142 COC(=O)C(C)CCSCC=O 62a_200015260668_100000034942 [0,1,0,0,0,0|2,0,1]=4 5447 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,1,0,0,0,0|2,0,0]=3 5448 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,1,0,0,0,0|2,0,0]=3 5449 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,1,0,0,0,0|2,0,0]=3 5450 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,1,0,0,0,0|2,0,0]=3 5451 B11R0.142 COC(=O)C(C)CCSCSC 62a_100000034942_100011218213 [0,1,0,0,0,0|2,0,0]=3 5452 B11R0.142 COC(=O)C(C)CCSCSC 62a_100011218213_100000034942 [0,1,0,0,0,0|2,0,0]=3 5453 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [0,1,0,0,0,0|2,0,0]=3 5454 B11R0.142 COC(=O)C(C)COCCC#N 7a_100000749362_100000184422 [0,1,0,0,0,0|2,0,1]=4 5455 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [0,1,0,0,0,0|2,0,0]=3 5456 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [0,1,0,0,0,0|2,0,0]=3 5457 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [0,1,0,0,0,0|2,0,0]=3 5458 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [0,1,0,0,0,0|2,0,0]=3 5459 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [0,1,0,0,0,0|2,0,0]=3 5460 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [0,1,0,0,0,0|2,0,0]=3 5461 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,1,0,0,0,0|2,0,0]=3 5462 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,1,0,0,0,0|2,0,0]=3 5463 B11R0.142 COC(=O)C(C)COCCON 34a_100000700252_100000698445 [0,1,0,0,0,0|3,0,0]=4 5464 B11R0.142 COC(=O)C(C)COCCSC 34a_100000230434_100000698445 [0,1,0,0,0,0|2,0,0]=3 5465 B11R0.142 COC(=O)C(C)COCCSC 34a_100000749362_100000212216 [0,1,0,0,0,0|2,0,0]=3 5466 B11R0.142 COC(=O)C(C)COCCSC 7a_100000749362_100000212216 [0,1,0,0,0,0|2,0,0]=3 5467 B11R0.142 COC(=O)C(C)CSCCC#N 62a_100000698445_100011215226 [0,1,0,0,0,0|2,0,1]=4 5468 B11R0.142 COC(=O)C(C)CSCCC#N 62a_100011215226_100000698445 [0,1,0,0,0,0|2,0,1]=4 5469 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,1,0,0,0,0|2,0,0]=3 5470 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,1,0,0,0,0|2,0,0]=3 5471 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,1,0,0,0,0|2,0,0]=3 5472 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,1,0,0,0,0|2,0,0]=3 5473 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000212216_100000698445 [0,1,0,0,0,0|2,0,0]=3 5474 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000698445_100000751147 [0,1,0,0,0,0|2,0,0]=3 5475 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,1,0,0,0,0|2,0,0]=3 5476 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,1,0,0,0,0|2,0,0]=3 5477 B11R0.142 COC(=O)C(C)NCCCSC 2230a_100000749238_100000211248 [0,1,0,0,0,0|2,0,0]=3 5478 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,1,0,0,0,0|2,0,0]=3 5479 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,1,0,0,0,0|2,0,0]=3 5480 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,1,0,0,0,0|2,0,0]=3 5481 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,1,0,0,0,0|2,0,0]=3 5482 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,1,0,0,0,0|2,0,0]=3 5483 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,1,0,0,0,0|2,0,0]=3 5484 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,1,0,0,0,0|2,0,0]=3 5485 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,1,0,0,0,0|2,0,0]=3 5486 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,1,0,0,0,0|2,0,0]=3 5487 B11R0.142 COC(=O)C(C)OCCCSC 34a_100000690336_100000211248 [0,1,0,0,0,0|2,0,0]=3 5488 B11R0.142 COC(=O)C(C)OCCCSC 7a_100000690336_100000211248 [0,1,0,0,0,0|2,0,0]=3 5489 B11R0.142 COC(=O)C(C)SCCCC#N 62a_100000211248_100000687738 [0,1,0,0,0,0|2,0,1]=4 5490 B11R0.142 COC(=O)C(C)SCCCC#N 62a_100000687738_100000211248 [0,1,0,0,0,0|2,0,1]=4 5491 B11R0.142 COC(=O)C(C)SCCCC=O 62a_100000211248_200011292268 [0,1,0,0,0,0|2,0,1]=4 5492 B11R0.142 COC(=O)C(C)SCCCC=O 62a_200011292268_100000211248 [0,1,0,0,0,0|2,0,1]=4 5493 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,1,0,0,0,0|2,0,0]=3 5494 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,1,0,0,0,0|2,0,0]=3 5495 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,1,0,0,0,0|2,0,0]=3 5496 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,1,0,0,0,0|2,0,0]=3 5497 B11R0.142 COC(=O)C(F)COCCCF 34a_200009849844_100011934791 [0,1,0,0,0,0|2,0,0]=3 5498 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [0,1,0,0,0,0|2,0,0]=3 5499 B11R0.142 COC(=O)C(F)COCCSC 34a_200009849844_100000212216 [0,1,0,0,0,0|2,0,0]=3 5500 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,1,0,0,0,0|2,0,0]=3 5501 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,1,0,0,0,0|2,0,0]=3 5502 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,1,0,0,0,0|2,0,0]=3 5503 B11R0.142 COCCCNC(=O)C(=O)OC 1626a_100150723488_100000024059 [0,1,0,0,0,0|2,0,1]=4 5504 B11R0.142 COCCCNC(=O)C(=O)OC 240690a_100150723488_100000024059 [0,1,0,0,0,0|2,0,1]=4 5505 B11R0.142 COCCCNC(=O)C(=O)OC 527a_100150723488_100000024059 [0,1,0,0,0,0|2,0,1]=4 5506 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [0,1,0,0,0,0|2,0,0]=3 5507 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [0,1,0,0,0,0|2,0,0]=3 5508 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [0,1,0,0,0,0|2,0,0]=3 5509 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [0,1,0,0,0,0|2,0,0]=3 5510 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [0,1,0,0,0,0|2,0,0]=3 5511 B11R0.142 COCCOCC(=O)C(=O)OC 34a_100000210237_100011610305 [0,1,0,0,0,0|2,0,1]=4 5512 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [0,1,0,0,0,0|2,0,0]=3 5513 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [0,1,0,0,0,0|2,0,0]=3 5514 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [0,1,0,0,0,0|2,0,0]=3 5515 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [0,1,0,0,0,0|2,0,0]=3 5516 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,1,0,0,0,0|2,0,0]=3 5517 B11R0.142 COCCSCC(=O)C(=O)OC 62a_100000233755_100011610305 [0,1,0,0,0,0|2,0,1]=4 5518 B11R0.142 COCCSCC(=O)C(=O)OC 62a_100011610305_100000233755 [0,1,0,0,0,0|2,0,1]=4 5519 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [0,1,0,0,0,0|2,0,0]=3 5520 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [0,1,0,0,0,0|2,0,0]=3 5521 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [0,1,0,0,0,0|2,0,0]=3 5522 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [0,1,0,0,0,0|2,0,0]=3 5523 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [0,1,0,0,0,0|1,0,2]=4 5524 B11R0.154 C#CCCCC(=O)CC(=O)OC 1458a_100000211351_100000731252 [0,1,0,0,0,0|0,0,3]=4 5525 B11R0.154 C#CCCCC(=O)CC(=O)OC 1458a_100000690238_100000747449 [0,1,0,0,0,0|0,0,3]=4 5526 B11R0.154 C#CCCCN(C)CC(=O)OC 2230a_100000198492_100000731252 [0,1,0,0,0,0|1,0,2]=4 5527 B11R0.154 C#CCCNC(C)CC(=O)OC 34a_100000755551_100009817358 [0,1,0,0,0,0|1,0,2]=4 5528 B11R0.154 C#CCCOC(C)CC(=O)OC 34a_100011215631_100009817358 [0,1,0,0,0,0|1,0,2]=4 5529 B11R0.154 C#CCCSC(C)CC(=O)OC 62a_100000688953_100009817358 [0,1,0,0,0,0|1,0,2]=4 5530 B11R0.154 C#CCCSC(C)CC(=O)OC 62a_100009817358_100000688953 [0,1,0,0,0,0|1,0,2]=4 5531 B11R0.154 C#CCNC[C@H](O)CC(=O)OC 34a_100000212058_100000754131 [0,1,0,0,0,0|1,0,2]=4 5532 B11R0.154 C#CCOC[C@H](O)CC(=O)OC 34a_100000210247_100000754131 [0,1,0,0,0,0|1,0,2]=4 5533 B11R0.154 C#CCSC[C@H](O)CC(=O)OC 62a_100000038162_100000754131 [0,1,0,0,0,0|1,0,2]=4 5534 B11R0.154 C/C=C/COC(C)CC(=O)OC 34a_100016270725_100009817358 [0,1,0,0,0,0|1,0,2]=4 5535 B11R0.154 C/C=C/CSC(C)CC(=O)OC 62a_100009817358_100102629194 [0,1,0,0,0,0|1,0,2]=4 5536 B11R0.154 C/C=C/CSC(C)CC(=O)OC 62a_100102629194_100009817358 [0,1,0,0,0,0|1,0,2]=4 5537 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,1,0,0,0,0|1,0,2]=4 5538 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,1,0,0,0,0|2,0,1]=4 5539 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,1,0,0,0,0|2,0,1]=4 5540 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000211351_100000757094 [0,1,0,0,0,0|0,0,3]=4 5541 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000766728_100000747449 [0,1,0,0,0,0|0,0,3]=4 5542 B11R0.154 C=CCCCN(C)CC(=O)OC 2230a_100000198492_100011713584 [0,1,0,0,0,0|1,0,2]=4 5543 B11R0.154 C=CCCNC(C)CC(=O)OC 2230a_100015191253_100009817358 [0,1,0,0,0,0|1,0,2]=4 5544 B11R0.154 C=CCCOC(C)CC(=O)OC 34a_100011205117_100009817358 [0,1,0,0,0,0|1,0,2]=4 5545 B11R0.154 C=CCCSC(C)CC(=O)OC 62a_100000754431_100009817358 [0,1,0,0,0,0|1,0,2]=4 5546 B11R0.154 C=CCCSC(C)CC(=O)OC 62a_100009817358_100000754431 [0,1,0,0,0,0|1,0,2]=4 5547 B11R0.154 C=CCOC[C@H](O)CC(=O)OC 34a_200000210373_100000754131 [0,1,0,0,0,0|1,0,2]=4 5548 B11R0.154 C=CCSC[C@H](O)CC(=O)OC 62a_100000210623_100000754131 [0,1,0,0,0,0|1,0,2]=4 5549 B11R0.154 C=CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210623 [0,1,0,0,0,0|1,0,2]=4 5550 B11R0.154 CC#CCNC(C)CC(=O)OC 2230a_100000685387_100009817358 [0,1,0,0,0,0|1,0,2]=4 5551 B11R0.154 CC#CCNC(C)CC(=O)OC 34a_100000685387_100009817358 [0,1,0,0,0,0|1,0,2]=4 5552 B11R0.154 CC#CCOC(C)CC(=O)OC 34a_100000761923_100009817358 [0,1,0,0,0,0|1,0,2]=4 5553 B11R0.154 CC#CCSC(C)CC(=O)OC 62a_100000748600_100009817358 [0,1,0,0,0,0|1,0,2]=4 5554 B11R0.154 CC#CCSC(C)CC(=O)OC 62a_100009817358_100000748600 [0,1,0,0,0,0|1,0,2]=4 5555 B11R0.154 CC/C=C/CC(=O)CC(=O)OC 1458a_100016274230_100000747449 [0,1,0,0,0,0|0,0,3]=4 5556 B11R0.154 CC/C=C\CC(=O)CC(=O)OC 1458a_100000211351_100103147603 [0,1,0,0,0,0|0,0,3]=4 5557 B11R0.154 CC/C=C\CN(C)CC(=O)OC 2230a_100000198492_100103147603 [0,1,0,0,0,0|1,0,2]=4 5558 B11R0.154 CC=CCSC(C)CC(=O)OC 62a_100000070051_100009817358 [0,1,0,0,0,0|1,0,2]=4 5559 B11R0.154 CC=CCSC(C)CC(=O)OC 62a_100009817358_100000070051 [0,1,0,0,0,0|1,0,2]=4 5560 B11R0.154 CCC#CCC(=O)CC(=O)OC 1458a_100000211351_100009813939 [0,1,0,0,0,0|0,0,3]=4 5561 B11R0.154 CCC#CCN(C)CC(=O)OC 2230a_100000198492_100009813939 [0,1,0,0,0,0|1,0,2]=4 5562 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,1,0,0,0,0|2,0,1]=4 5563 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [0,1,0,0,0,0|2,0,1]=4 5564 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [0,1,0,0,0,0|2,0,1]=4 5565 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [0,1,0,0,0,0|3,0,0]=4 5566 B11R0.154 CCC(=O)CN(C)CCCOC 269982a_100000224831_100000747405 [0,1,0,0,0,0|3,0,0]=4 5567 B11R0.154 CCCC#CC(=O)CC(=O)OC 1458a_200011218047_100000747449 [0,1,0,0,0,0|0,0,3]=4 5568 B11R0.154 CCCC=CC(=O)CC(=O)OC 1458a_100000212230_100000747449 [0,1,0,0,0,0|0,0,3]=4 5569 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,1,0,0,0,0|1,0,1]=3 5570 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,1,0,0,0,0|1,0,1]=3 5571 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,0,0,0,0|2,0,1]=4 5572 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,1,0,0,0,0|1,0,1]=3 5573 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,0,0,0,0|0,0,1]=2 5574 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,0,0,0,0|0,0,1]=2 5575 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,0,0,0,0|2,0,0]=3 5576 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,0,0,0,0|2,0,0]=3 5577 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,0,0,0,0|2,0,0]=3 5578 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,0,0,0,0|2,0,0]=3 5579 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,0,0,0,0|3,0,0]=4 5580 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,0,0,0,0|3,0,0]=4 5581 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,1,0,0,0,0|2,0,0]=3 5582 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,1,0,0,0,0|2,0,0]=3 5583 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,1,0,0,0,0|2,0,0]=3 5584 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,1,0,0,0,0|2,0,0]=3 5585 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,1,0,0,0,0|2,0,0]=3 5586 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,1,0,0,0,0|2,0,0]=3 5587 B11R0.154 CCCCCC(C)SC(C)OC 62a_100009879195_200011218191 [0,1,0,0,0,0|2,0,1]=4 5588 B11R0.154 CCCCCC(C)SC(C)OC 62a_200011218191_100009879195 [0,1,0,0,0,0|2,0,1]=4 5589 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,1,0,0,0,0|2,0,0]=3 5590 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,1,0,0,0,0|2,0,0]=3 5591 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,1,0,0,0,0|2,0,0]=3 5592 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,1,0,0,0,0|2,0,0]=3 5593 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,1,0,0,0,0|1,0,0]=2 5594 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,1,0,0,0,0|1,0,0]=2 5595 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,1,0,0,0,0|1,0,0]=2 5596 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [0,1,0,0,0,0|2,0,1]=4 5597 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [0,1,0,0,0,0|1,0,1]=3 5598 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,1,0,0,0,0|1,0,0]=2 5599 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,1,0,0,0,0|1,0,0]=2 5600 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,1,0,0,0,0|2,0,1]=4 5601 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,1,0,0,0,0|1,0,0]=2 5602 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,1,0,0,0,0|1,0,0]=2 5603 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,1,0,0,0,0|1,0,0]=2 5604 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,1,0,0,0,0|1,0,0]=2 5605 B11R0.154 CCCNN=C(C)CC(=O)OC 4a_100000740057_100000210079 [0,1,0,0,0,0|2,0,1]=4 5606 B11R0.154 CCCNNC(=O)CC(=O)OC 22a_100000740057_100000211351 [0,1,0,0,0,0|2,0,1]=4 5607 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [0,1,0,0,0,0|2,0,1]=4 5608 B11R0.154 CCCOCC(=O)CC(=O)NC 1458a_100000745993_100000183359 [0,1,0,0,0,0|2,0,1]=4 5609 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [0,1,0,0,0,0|1,0,1]=3 5610 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,1,0,0,0,0|1,0,0]=2 5611 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [0,1,0,0,0,0|2,0,1]=4 5612 B11R0.154 CCCSCC(=O)CC(=O)NC 1458a_100000217233_100000183359 [0,1,0,0,0,0|2,0,1]=4 5613 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [0,1,0,0,0,0|1,0,1]=3 5614 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [0,1,0,0,0,0|1,0,1]=3 5615 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [0,1,0,0,0,0|1,0,1]=3 5616 B11R0.154 CCCSCC(=O)NC(=O)OC 62a_100000210303_100000010850 [0,1,0,0,0,0|2,0,1]=4 5617 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,1,0,0,0,0|1,0,0]=2 5618 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,1,0,0,0,0|1,0,0]=2 5619 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [0,1,0,0,0,0|2,0,1]=4 5620 B11R0.154 CCOCCC(=O)CC(=O)NC 1458a_100000749530_100000183359 [0,1,0,0,0,0|2,0,1]=4 5621 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [0,1,0,0,0,0|1,0,1]=3 5622 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [0,1,0,0,0,0|1,0,1]=3 5623 B11R0.154 CCOCCN(C)CC(=O)NC 2230a_100000189611_100011215890 [0,1,0,0,0,0|3,0,0]=4 5624 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [0,1,0,0,0,0|2,0,0]=3 5625 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [0,1,0,0,0,0|2,0,0]=3 5626 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [0,1,0,0,0,0|2,0,0]=3 5627 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [0,1,0,0,0,0|2,0,1]=4 5628 B11R0.154 CCSCCC(=O)CC(=O)NC 1458a_100000230768_100000183359 [0,1,0,0,0,0|2,0,1]=4 5629 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [0,1,0,0,0,0|1,0,1]=3 5630 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [0,1,0,0,0,0|1,0,1]=3 5631 B11R0.154 CCSCCN(C)CC(=O)NC 2230a_100000189611_100000757381 [0,1,0,0,0,0|3,0,0]=4 5632 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [0,1,0,0,0,0|2,0,0]=3 5633 B11R0.154 CNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183359 [0,1,0,0,0,0|2,0,1]=4 5634 B11R0.154 CNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183359 [0,1,0,0,0,0|2,0,1]=4 5635 B11R0.154 CNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183359 [0,1,0,0,0,0|2,0,1]=4 5636 B11R0.154 CNC(=O)CN(C)CCCCF 2230a_100000189611_100000729493 [0,1,0,0,0,0|3,0,0]=4 5637 B11R0.154 CNC(=O)CN(C)CCCCO 2230a_100000189611_100000210776 [0,1,0,0,0,0|3,0,0]=4 5638 B11R0.154 CNC(=O)CN(C)CCCCO 2230a_100000717598_100000183359 [0,1,0,0,0,0|3,0,0]=4 5639 B11R0.154 CNC(=O)CN(C)CCCCO 269982a_100000717598_100000183359 [0,1,0,0,0,0|3,0,0]=4 5640 B11R0.154 CNC(=O)CN(C)CCCOC 2230a_100000189611_100000740836 [0,1,0,0,0,0|3,0,0]=4 5641 B11R0.154 CNC(=O)CN(C)CCCOC 2230a_100000224831_100000183359 [0,1,0,0,0,0|3,0,0]=4 5642 B11R0.154 CNC(=O)CN(C)CCCOC 269982a_100000224831_100000183359 [0,1,0,0,0,0|3,0,0]=4 5643 B11R0.154 COC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747449 [0,1,0,0,0,0|1,0,2]=4 5644 B11R0.154 COC(=O)CC(=O)CCCC#N 1458a_100000211351_100000211468 [0,1,0,0,0,0|1,0,2]=4 5645 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [0,1,0,0,0,0|1,0,1]=3 5646 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [0,1,0,0,0,0|1,0,1]=3 5647 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [0,1,0,0,0,0|1,0,1]=3 5648 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [0,1,0,0,0,0|1,0,1]=3 5649 B11R0.154 COC(=O)CC(=O)COCCO 1458a_100000708028_100000747449 [0,1,0,0,0,0|2,0,1]=4 5650 B11R0.154 COC(=O)CC(=O)CSCCF 62a_100000210525_100011217306 [0,1,0,0,0,0|2,0,1]=4 5651 B11R0.154 COC(=O)CC(=O)CSCCF 62a_100011217306_100000210525 [0,1,0,0,0,0|2,0,1]=4 5652 B11R0.154 COC(=O)CC(=O)CSCCO 62a_100000210525_100000211926 [0,1,0,0,0,0|2,0,1]=4 5653 B11R0.154 COC(=O)CC(=O)CSCCO 62a_100000211926_100000210525 [0,1,0,0,0,0|2,0,1]=4 5654 B11R0.154 COC(=O)CC(=O)CSCSC 62a_100000210525_100011218213 [0,1,0,0,0,0|2,0,1]=4 5655 B11R0.154 COC(=O)CC(=O)CSCSC 62a_100011218213_100000210525 [0,1,0,0,0,0|2,0,1]=4 5656 B11R0.154 COC(=O)CC(=O)NCCCF 240690a_100015189416_100000211351 [0,1,0,0,0,0|2,0,1]=4 5657 B11R0.154 COC(=O)CC(=O)NCCCO 240690a_100000182051_100000211351 [0,1,0,0,0,0|2,0,1]=4 5658 B11R0.154 COC(=O)CC(=O)NCCSC 240690a_100020590264_100000211351 [0,1,0,0,0,0|2,0,1]=4 5659 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [0,1,0,0,0,0|2,0,0]=3 5660 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [0,1,0,0,0,0|2,0,0]=3 5661 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [0,1,0,0,0,0|2,0,0]=3 5662 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [0,1,0,0,0,0|2,0,0]=3 5663 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [0,1,0,0,0,0|2,0,0]=3 5664 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [0,1,0,0,0,0|2,0,0]=3 5665 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [0,1,0,0,0,0|2,0,0]=3 5666 B11R0.154 COC(=O)CC(C)OCCON 34a_100000700252_100009817358 [0,1,0,0,0,0|3,0,0]=4 5667 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [0,1,0,0,0,0|2,0,0]=3 5668 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [0,1,0,0,0,0|2,0,0]=3 5669 B11R0.154 COC(=O)CC(C)SCCC#N 62a_100009817358_100011215226 [0,1,0,0,0,0|2,0,1]=4 5670 B11R0.154 COC(=O)CC(C)SCCC#N 62a_100011215226_100009817358 [0,1,0,0,0,0|2,0,1]=4 5671 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [0,1,0,0,0,0|2,0,0]=3 5672 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [0,1,0,0,0,0|2,0,0]=3 5673 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [0,1,0,0,0,0|2,0,0]=3 5674 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [0,1,0,0,0,0|2,0,0]=3 5675 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [0,1,0,0,0,0|2,0,0]=3 5676 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [0,1,0,0,0,0|2,0,0]=3 5677 B11R0.154 COC(=O)CN(C)CCCC#N 2230a_100000198492_100000687738 [0,1,0,0,0,0|2,0,1]=4 5678 B11R0.154 COC(=O)CN(C)CCCC=O 2230a_100000198492_200011292268 [0,1,0,0,0,0|2,0,1]=4 5679 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [0,1,0,0,0,0|2,0,0]=3 5680 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [0,1,0,0,0,0|2,0,0]=3 5681 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [0,1,0,0,0,0|2,0,0]=3 5682 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [0,1,0,0,0,0|2,0,0]=3 5683 B11R0.154 COC(=O)C[C@@H](O)CNCCF 34a_100000724931_100000754131 [0,1,0,0,0,0|2,0,0]=3 5684 B11R0.154 COC(=O)C[C@@H](O)CNCCO 34a_100016990907_100000754131 [0,1,0,0,0,0|2,0,0]=3 5685 B11R0.154 COC(=O)C[C@@H](O)COCCBr 34a_100000211926_100000754131 [0,1,0,0,0,0|2,0,0]=3 5686 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [0,1,0,0,0,0|2,0,0]=3 5687 B11R0.154 COC(=O)C[C@@H](O)CSCC#N 62a_100000754131_100011215382 [0,1,0,0,0,0|2,0,1]=4 5688 B11R0.154 COC(=O)C[C@@H](O)CSCC#N 62a_100011215382_100000754131 [0,1,0,0,0,0|2,0,1]=4 5689 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_100000754131_200015260668 [0,1,0,0,0,0|2,0,1]=4 5690 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_200015260668_100000754131 [0,1,0,0,0,0|2,0,1]=4 5691 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100000754131_100011217306 [0,1,0,0,0,0|2,0,0]=3 5692 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100011217306_100000754131 [0,1,0,0,0,0|2,0,0]=3 5693 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [0,1,0,0,0,0|2,0,0]=3 5694 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [0,1,0,0,0,0|2,0,0]=3 5695 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100000754131_100011218213 [0,1,0,0,0,0|2,0,0]=3 5696 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100011218213_100000754131 [0,1,0,0,0,0|2,0,0]=3 5697 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [0,1,0,0,0,0|1,0,1]=3 5698 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [0,1,0,0,0,0|1,0,1]=3 5699 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [0,1,0,0,0,0|2,0,0]=3 5700 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [0,1,0,0,0,0|2,0,0]=3 5701 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [0,1,0,0,0,0|2,0,0]=3 5702 B11R0.154 COCCNC(=O)CC(=O)OC 240690a_100000209980_100000211351 [0,1,0,0,0,0|2,0,1]=4 5703 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [0,1,0,0,0,0|2,0,0]=3 5704 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [0,1,0,0,0,0|2,0,0]=3 5705 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [0,1,0,0,0,0|2,0,0]=3 5706 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [0,1,0,0,0,0|2,0,0]=3 5707 B11R0.154 COCSCC(=O)CC(=O)OC 62a_100000210525_100000766300 [0,1,0,0,0,0|2,0,1]=4 5708 B11R0.154 COCSCC(=O)CC(=O)OC 62a_100000766300_100000210525 [0,1,0,0,0,0|2,0,1]=4 5709 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000754131_100000766300 [0,1,0,0,0,0|2,0,0]=3 5710 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000766300_100000754131 [0,1,0,0,0,0|2,0,0]=3 5711 B11R0.174 C#CCC(=O)CCCC(=O)OC 1458a_100000239890_100000184674 [0,1,0,0,0,0|0,0,3]=4 5712 B11R0.174 C#CCC(=O)CCCC(=O)OC 1458a_100011220946_100011218270 [0,1,0,0,0,0|0,0,3]=4 5713 B11R0.174 C#CCC(C)OCCC(=O)OC 34a_100000685586_100000742370 [0,1,0,0,0,0|1,0,2]=4 5714 B11R0.174 C#CCC(C)OCCC(=O)OC 7a_100000685586_100000204255 [0,1,0,0,0,0|1,0,2]=4 5715 B11R0.174 C#CCN(C)CCCC(=O)OC 2230a_100000225692_100011218270 [0,1,0,0,0,0|1,0,2]=4 5716 B11R0.174 C#CCN(C)CCCC(=O)OC 34a_100000225692_100000742333 [0,1,0,0,0,0|1,0,2]=4 5717 B11R0.174 C/C=C/C(C)OCCC(=O)OC 34a_200102604097_100000742370 [0,1,0,0,0,0|1,0,2]=4 5718 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000210193_100011218270 [0,1,0,0,0,0|0,0,3]=4 5719 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210623 [0,1,0,0,0,0|0,0,3]=4 5720 B11R0.174 C=CCC(C)COCC(=O)OC 34a_100009832082_100000747449 [0,1,0,0,0,0|1,0,2]=4 5721 B11R0.174 C=CCC(C)COCC(=O)OC 7a_100009832082_100000747449 [0,1,0,0,0,0|1,0,2]=4 5722 B11R0.174 C=CCN(C)CCCC(=O)OC 2230a_100000225617_100011218270 [0,1,0,0,0,0|1,0,2]=4 5723 B11R0.174 C=CCN(C)CCCC(=O)OC 269982a_100000225617_100011218270 [0,1,0,0,0,0|1,0,2]=4 5724 B11R0.174 C=CCN(C)CCCC(=O)OC 269982a_100000739225_100000210623 [0,1,0,0,0,0|1,0,2]=4 5725 B11R0.174 C=CC[C@@H](C)OCCC(=O)OC 34a_100000731007_100000742370 [0,1,0,0,0,0|1,0,2]=4 5726 B11R0.174 C=CC[C@@H](C)OCCC(=O)OC 7a_100000731007_100000204255 [0,1,0,0,0,0|1,0,2]=4 5727 B11R0.174 C=CC[C@@H](N)COCC(=O)OC 34a_100020615467_100000747449 [0,1,0,0,0,0|1,0,2]=4 5728 B11R0.174 CC#CC(=O)CCCC(=O)OC 1458a_100000763181_100011218270 [0,1,0,0,0,0|0,0,3]=4 5729 B11R0.174 CC#CC(C)OCCC(=O)OC 34a_100011216543_100000742370 [0,1,0,0,0,0|1,0,2]=4 5730 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,1,0,0,0,0|0,0,3]=4 5731 B11R0.174 CCC(=O)COCC(O)COC 34a_100000725409_100011215053 [0,1,0,0,0,0|3,0,0]=4 5732 B11R0.174 CCC(=O)CSCC(O)COC 62a_100000747405_100011215053 [0,1,0,0,0,0|3,0,0]=4 5733 B11R0.174 CCC(=O)CSCC(O)COC 62a_100011215053_100000747405 [0,1,0,0,0,0|3,0,0]=4 5734 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|1,0,1]=3 5735 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|0,0,1]=2 5736 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|0,0,1]=2 5737 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,1,0,0,0,0|2,0,1]=4 5738 B11R0.174 CCCC(=O)CNCC(=O)NC 2230a_100000693194_100000747444 [0,1,0,0,0,0|2,0,1]=4 5739 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,1,0,0,0,0|2,0,1]=4 5740 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,1,0,0,0,0|2,0,1]=4 5741 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000183359_100000747444 [0,1,0,0,0,0|2,0,1]=4 5742 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000747444_100000183359 [0,1,0,0,0,0|2,0,1]=4 5743 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [0,1,0,0,0,0|1,0,1]=3 5744 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [0,1,0,0,0,0|1,0,1]=3 5745 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [0,1,0,0,0,0|1,0,1]=3 5746 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 5747 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 5748 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 5749 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,1,0,0,0,0|1,0,1]=3 5750 B11R0.174 CCCC(C)CNCC(=O)NC 2230a_100000693194_100011216630 [0,1,0,0,0,0|2,0,0]=3 5751 B11R0.174 CCCC(C)CNCC(=O)NC 270004a_100000693194_100000243154 [0,1,0,0,0,0|2,0,0]=3 5752 B11R0.174 CCCC(C)CNC[C@@H](C)OC 2230a_100020591295_100011216630 [0,1,0,0,0,0|2,0,1]=4 5753 B11R0.174 CCCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243154 [0,1,0,0,0,0|2,0,1]=4 5754 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,1,0,0,0,0|2,0,0]=3 5755 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,1,0,0,0,0|2,0,0]=3 5756 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [0,1,0,0,0,0|2,0,0]=3 5757 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [0,1,0,0,0,0|2,0,0]=3 5758 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [0,1,0,0,0,0|2,0,0]=3 5759 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,1,0,0,0,0|1,0,0]=2 5760 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,1,0,0,0,0|1,0,0]=2 5761 B11R0.174 CCCC(C)COCC(C)OC 34a_100000690652_100011216630 [0,1,0,0,0,0|2,0,1]=4 5762 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,1,0,0,0,0|2,0,0]=3 5763 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,1,0,0,0,0|2,0,0]=3 5764 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100000183359_100011216630 [0,1,0,0,0,0|2,0,0]=3 5765 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100011216630_100000183359 [0,1,0,0,0,0|2,0,0]=3 5766 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,1,0,0,0,0|1,0,0]=2 5767 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,1,0,0,0,0|1,0,0]=2 5768 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000738227_100000766640 [0,1,0,0,0,0|2,0,0]=3 5769 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000741246_100000737683 [0,1,0,0,0,0|2,0,0]=3 5770 B11R0.174 CCCC(C)NCCC(=O)NC 270004a_100000738227_100000211909 [0,1,0,0,0,0|2,0,0]=3 5771 B11R0.174 CCCC(C)NCCC(=O)NC 34a_100000738227_100000766640 [0,1,0,0,0,0|2,0,0]=3 5772 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [0,1,0,0,0,0|1,0,0]=2 5773 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000754576_100000766640 [0,1,0,0,0,0|2,0,0]=3 5774 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000764384_100012179268 [0,1,0,0,0,0|2,0,0]=3 5775 B11R0.174 CCCC(C)OCCC(=O)NC 7a_100000764384_100000737683 [0,1,0,0,0,0|2,0,0]=3 5776 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,1,0,0,0,0|1,0,0]=2 5777 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,1,0,0,0,0|1,0,0]=2 5778 B11R0.174 CCCC(C)OCCC(C)OC 7a_100000764861_100000766640 [0,1,0,0,0,0|2,0,1]=4 5779 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000737683_100000766640 [0,1,0,0,0,0|2,0,0]=3 5780 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000766640_100000737683 [0,1,0,0,0,0|2,0,0]=3 5781 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [0,1,0,0,0,0|1,0,0]=2 5782 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [0,1,0,0,0,0|1,0,0]=2 5783 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [0,1,0,0,0,0|2,0,0]=3 5784 B11R0.174 CCCN(C)C/C=C/C(=O)OC 2230a_100000747261_100000742655 [0,1,0,0,0,0|1,0,2]=4 5785 B11R0.174 CCCN(C)C/C=C/C(=O)OC 269982a_100000747261_100000742655 [0,1,0,0,0,0|1,0,2]=4 5786 B11R0.174 CCCN(C)CCCC(=O)NC 2230a_100000747261_100000741757 [0,1,0,0,0,0|2,0,0]=3 5787 B11R0.174 CCCN(C)CCCC(=O)NC 269982a_100000747261_100000741757 [0,1,0,0,0,0|2,0,0]=3 5788 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [0,1,0,0,0,0|1,0,0]=2 5789 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [0,1,0,0,0,0|1,0,0]=2 5790 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [0,1,0,0,0,0|1,0,0]=2 5791 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,1,0,0,0,0|3,0,0]=4 5792 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [0,1,0,0,0,0|2,0,0]=3 5793 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,1,0,0,0,0|1,0,0]=2 5794 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,1,0,0,0,0|2,0,1]=4 5795 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,1,0,0,0,0|2,0,1]=4 5796 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 5797 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 5798 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 5799 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,1,0,0,0,0|1,0,1]=3 5800 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,1,0,0,0,0|1,0,1]=3 5801 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,1,0,0,0,0|1,0,1]=3 5802 B11R0.174 CCNC(=O)CNCC(=O)OC 2230a_100016988866_100000747449 [0,1,0,0,0,0|2,0,1]=4 5803 B11R0.174 CCNC(=O)CSCC(=O)OC 11a_100015525214_100000191316 [0,1,0,0,0,0|2,0,1]=4 5804 B11R0.174 CCNC(=O)CSCC(=O)OC 240690a_100015525214_100000191316 [0,1,0,0,0,0|2,0,1]=4 5805 B11R0.174 CCNC(=O)CSCC(=O)OC 62a_100000183381_100000747449 [0,1,0,0,0,0|2,0,1]=4 5806 B11R0.174 CCNC(=O)CSCC(=O)OC 62a_100000747449_100000183381 [0,1,0,0,0,0|2,0,1]=4 5807 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,1,0,0,0,0|2,0,1]=4 5808 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,1,0,0,0,0|2,0,1]=4 5809 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,1,0,0,0,0|2,0,1]=4 5810 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 5811 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 5812 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 5813 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,1,0,0,0,0|2,0,1]=4 5814 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,1,0,0,0,0|2,0,1]=4 5815 B11R0.174 CNC(=O)CCCC(=O)CCO 1458a_100011216618_100000741757 [0,1,0,0,0,0|2,0,1]=4 5816 B11R0.174 CNC(=O)CCCC(=O)COC 1458a_100000210968_100000741757 [0,1,0,0,0,0|2,0,1]=4 5817 B11R0.174 CNC(=O)CCCC(=O)CSC 1458a_100000184570_100000741757 [0,1,0,0,0,0|2,0,1]=4 5818 B11R0.174 CNC(=O)CCCN(C)CCO 2230a_100000210263_100000741757 [0,1,0,0,0,0|3,0,0]=4 5819 B11R0.174 CNC(=O)CCCN(C)CCO 269982a_100000210263_100000741757 [0,1,0,0,0,0|3,0,0]=4 5820 B11R0.174 CNC(=O)CCNC(C)CCO 2230a_100000738227_100009893172 [0,1,0,0,0,0|3,0,0]=4 5821 B11R0.174 CNC(=O)CCNC(C)CCO 34a_100000738227_100009893172 [0,1,0,0,0,0|3,0,0]=4 5822 B11R0.174 CNC(=O)CCNC(C)COC 2230a_100000738227_100000765312 [0,1,0,0,0,0|3,0,0]=4 5823 B11R0.174 CNC(=O)CCNC(C)COC 270004a_100000738227_100000749346 [0,1,0,0,0,0|3,0,0]=4 5824 B11R0.174 CNC(=O)CCNC(C)COC 34a_100000738227_100000765312 [0,1,0,0,0,0|3,0,0]=4 5825 B11R0.174 CNC(=O)CCNC(C)CSC 270004a_100000738227_100011216314 [0,1,0,0,0,0|3,0,0]=4 5826 B11R0.174 CNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737683 [0,1,0,0,0,0|3,0,0]=4 5827 B11R0.174 CNC(=O)CCN[C@H](C)CCO 34a_100000706166_100012179268 [0,1,0,0,0,0|3,0,0]=4 5828 B11R0.174 CNC(=O)CCN[C@H](C)COC 2230a_100000764878_100000737683 [0,1,0,0,0,0|3,0,0]=4 5829 B11R0.174 CNC(=O)CCOC(C)CCBr 34a_100012276601_100012179268 [0,1,0,0,0,0|3,0,0]=4 5830 B11R0.174 CNC(=O)CCOC(C)CCO 34a_100000754576_100009893172 [0,1,0,0,0,0|3,0,0]=4 5831 B11R0.174 CNC(=O)CCOC(C)COC 34a_100000754576_100000765312 [0,1,0,0,0,0|3,0,0]=4 5832 B11R0.174 CNC(=O)CCO[C@H](C)COC 34a_100011934205_100012179268 [0,1,0,0,0,0|3,0,0]=4 5833 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100000737683_100009893172 [0,1,0,0,0,0|3,0,0]=4 5834 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100009893172_100000737683 [0,1,0,0,0,0|3,0,0]=4 5835 B11R0.174 CNC(=O)CCSC(C)COC 62a_100000737683_100000765312 [0,1,0,0,0,0|3,0,0]=4 5836 B11R0.174 CNC(=O)CCSC(C)COC 62a_100000765312_100000737683 [0,1,0,0,0,0|3,0,0]=4 5837 B11R0.174 CNC(=O)CNCC(O)COC 2230a_100000756049_100000183359 [0,1,0,0,0,0|3,0,0]=4 5838 B11R0.174 CNC(=O)CNCC(O)COC 34a_100000756049_100000183359 [0,1,0,0,0,0|3,0,0]=4 5839 B11R0.174 CNC(=O)COCC(C)CCN 34a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 5840 B11R0.174 CNC(=O)COCC(N)COC 34a_100000724102_100000183359 [0,1,0,0,0,0|3,0,0]=4 5841 B11R0.174 CNC(=O)COCC(O)COC 34a_100000750040_100011215053 [0,1,0,0,0,0|3,0,0]=4 5842 B11R0.174 CNC(=O)CSCC(O)COC 62a_100000183359_100011215053 [0,1,0,0,0,0|3,0,0]=4 5843 B11R0.174 CNC(=O)CSCC(O)COC 62a_100011215053_100000183359 [0,1,0,0,0,0|3,0,0]=4 5844 B11R0.174 CNCC(=O)NCCC(=O)OC 2230a_106832991635_100000230212 [0,1,0,0,0,0|2,0,1]=4 5845 B11R0.174 CNCC(=O)NCCC(=O)OC 34a_100102657272_100000230212 [0,1,0,0,0,0|2,0,1]=4 5846 B11R0.174 CNCC(=O)NCCC(=O)OC 7a_106832991635_100000230212 [0,1,0,0,0,0|2,0,1]=4 5847 B11R0.174 CNNC(=O)CCCC(=O)OC 22a_100016993582_100000239890 [0,1,0,0,0,0|2,0,1]=4 5848 B11R0.174 COC(=O)CCCC(=O)CC#N 1458a_100000239890_100011214920 [0,1,0,0,0,0|1,0,2]=4 5849 B11R0.174 COC(=O)CCCC(=O)CC#N 1458a_100051588842_100011218270 [0,1,0,0,0,0|1,0,2]=4 5850 B11R0.174 COC(=O)CCCC(=O)CCF 1458a_100000239890_100011217306 [0,1,0,0,0,0|1,0,1]=3 5851 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100000239890_100000211926 [0,1,0,0,0,0|1,0,1]=3 5852 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100011216618_100011218270 [0,1,0,0,0,0|1,0,1]=3 5853 B11R0.174 COC(=O)CCCC(=O)CSC 1458a_100000184570_100011218270 [0,1,0,0,0,0|1,0,1]=3 5854 B11R0.174 COC(=O)CCCN(C)CC#N 2230a_100000748184_100011218270 [0,1,0,0,0,0|2,0,1]=4 5855 B11R0.174 COC(=O)CCCN(C)CC#N 269982a_100000739225_100011214920 [0,1,0,0,0,0|2,0,1]=4 5856 B11R0.174 COC(=O)CCCN(C)CC=O 269982a_100000739225_200015260668 [0,1,0,0,0,0|2,0,1]=4 5857 B11R0.174 COC(=O)CCCN(C)CCF 269982a_100000739225_100011217306 [0,1,0,0,0,0|2,0,0]=3 5858 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [0,1,0,0,0,0|2,0,0]=3 5859 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [0,1,0,0,0,0|2,0,0]=3 5860 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [0,1,0,0,0,0|2,0,0]=3 5861 B11R0.174 COC(=O)CCCN(C)CSC 269982a_100000739225_100011218213 [0,1,0,0,0,0|2,0,0]=3 5862 B11R0.174 COC(=O)CCNC(=O)CSC 188690a_100000683876_100000184570 [0,1,0,0,0,0|2,0,1]=4 5863 B11R0.174 COC(=O)CCNC(=O)CSC 62a_100000230212_200000210301 [0,1,0,0,0,0|2,0,1]=4 5864 B11R0.174 COC(=O)CCNC(=O)CSC 62a_200000210301_100000230212 [0,1,0,0,0,0|2,0,1]=4 5865 B11R0.174 COC(=O)CCNC(=O)CS[13CH3] 62a_100000230212_200025704644 [0,1,0,0,0,0|2,0,1]=4 5866 B11R0.174 COC(=O)CCNC(=O)CS[13CH3] 62a_200025704644_100000230212 [0,1,0,0,0,0|2,0,1]=4 5867 B11R0.174 COC(=O)CCN[C@@H](C)CC#N 2230a_100016994482_100000204255 [0,1,0,0,0,0|2,0,1]=4 5868 B11R0.174 COC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000204255 [0,1,0,0,0,0|2,0,0]=3 5869 B11R0.174 COC(=O)CCN[C@H](C)CCO 34a_100000706166_100000742370 [0,1,0,0,0,0|2,0,0]=3 5870 B11R0.174 COC(=O)CCOC(C)CCBr 34a_100012276601_100000742370 [0,1,0,0,0,0|2,0,0]=3 5871 B11R0.174 COC(=O)CCSC(C)CC#N 62a_100000204255_100009813641 [0,1,0,0,0,0|2,0,1]=4 5872 B11R0.174 COC(=O)CCSC(C)CC#N 62a_100009813641_100000204255 [0,1,0,0,0,0|2,0,1]=4 5873 B11R0.174 COC(=O)CCSC(C)CCO 62a_100000204255_100009893172 [0,1,0,0,0,0|2,0,0]=3 5874 B11R0.174 COC(=O)CCSC(C)CCO 62a_100009893172_100000204255 [0,1,0,0,0,0|2,0,0]=3 5875 B11R0.174 COC(=O)COCC(C)CCN 34a_106354213184_100000747449 [0,1,0,0,0,0|2,0,0]=3 5876 B11R0.174 COC(=O)CSCC(=O)CCF 1458a_100000191316_100011217306 [0,1,0,0,0,0|2,0,1]=4 5877 B11R0.174 COC(=O)CSCC(=O)CCO 1458a_100000191316_100000211926 [0,1,0,0,0,0|2,0,1]=4 5878 B11R0.174 COC(=O)CSC[C@@H](O)CC#N 62a_100000001066_100000747449 [0,1,0,0,0,0|2,0,1]=4 5879 B11R0.174 COC(=O)CSC[C@@H](O)CC#N 62a_100000747449_100000001066 [0,1,0,0,0,0|2,0,1]=4 5880 B11R0.174 COC(=O)OCSC(C)CCO 62a_100009893172_100000139417 [0,1,0,0,0,0|3,0,0]=4 5881 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [0,1,0,0,0,0|1,0,1]=3 5882 B11R0.174 COCC(=O)NCCC(=O)OC 188690a_100000683876_100000210968 [0,1,0,0,0,0|2,0,1]=4 5883 B11R0.174 COCC(=O)NCCC(=O)OC 34a_100138415774_100000230212 [0,1,0,0,0,0|2,0,1]=4 5884 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000204255_100000765312 [0,1,0,0,0,0|2,0,0]=3 5885 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000765312_100000204255 [0,1,0,0,0,0|2,0,0]=3 5886 B11R0.174 COCC(C)SCOC(=O)OC 62a_100000765312_100000139417 [0,1,0,0,0,0|3,0,0]=4 5887 B11R0.174 COCC(N)COCC(=O)OC 34a_100000724102_100000747449 [0,1,0,0,0,0|2,0,0]=3 5888 B11R0.174 COCC(O)CNCC(=O)OC 2230a_100000756049_100000747449 [0,1,0,0,0,0|2,0,0]=3 5889 B11R0.174 COCC(O)CNCC(=O)OC 34a_100000756049_100000747449 [0,1,0,0,0,0|2,0,0]=3 5890 B11R0.174 COCC(O)CSCC(=O)OC 62a_100000747449_100011215053 [0,1,0,0,0,0|2,0,0]=3 5891 B11R0.174 COCC(O)CSCC(=O)OC 62a_100011215053_100000747449 [0,1,0,0,0,0|2,0,0]=3 5892 B11R0.174 COCN(C)CCCC(=O)OC 269982a_100000739225_100000766300 [0,1,0,0,0,0|2,0,0]=3 5893 B11R0.174 COC[C@@H](C)NCCC(=O)OC 2230a_100000764878_100000204255 [0,1,0,0,0,0|2,0,0]=3 5894 B11R0.174 COC[C@@H](C)OCCC(=O)OC 34a_100011934205_100000742370 [0,1,0,0,0,0|2,0,0]=3 5895 B11R1.1 C=C1CCC(CC1)COCC 34a_100000074039_100000210202 [0,0,0,1,0,0|3,0,0]=4 5896 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [0,0,0,1,0,0|3,0,0]=4 5897 B11R1.1 C=C1CCN(CC1)CCCC 2230a_100000752442_100000210211 [0,0,0,1,0,0|3,0,0]=4 5898 B11R1.1 C=C1CCN(CC1)CCCC 269982a_100000752442_100000210211 [0,0,0,1,0,0|3,0,0]=4 5899 B11R1.1 C=C1CCN(CC1)CCCC 34a_100000752442_100000210210 [0,0,0,1,0,0|3,0,0]=4 5900 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,0,0,1,0,0|3,0,0]=4 5901 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,0,0,1,0,0|3,0,0]=4 5902 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,0,0,1,0,0|3,0,0]=4 5903 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,0,0,1,0,0|3,0,0]=4 5904 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,0,0,1,0,0|3,0,0]=4 5905 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,0,0,1,0,0|3,0,0]=4 5906 B11R1.1 CCCCN1CC=C(CC1)C 2230a_100000693516_100000210211 [0,0,0,1,0,0|3,0,0]=4 5907 B11R1.1 CCCCN1CC=C(CC1)C 269982a_100000693516_100000210211 [0,0,0,1,0,0|3,0,0]=4 5908 B11R1.1 CCCCN1CC=C(CC1)C 34a_100000693516_100000210210 [0,0,0,1,0,0|3,0,0]=4 5909 B11R1.1 CCCCN1CCS(=O)CC1 2230a_100000752083_100000210211 [0,0,0,1,0,0|3,0,0]=4 5910 B11R1.1 CCCCN1CCS(=O)CC1 269982a_100000752083_100000210211 [0,0,0,1,0,0|3,0,0]=4 5911 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,0,0,1,0,0|2,0,0]=3 5912 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,0,0,1,0,0|2,0,0]=3 5913 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,0,0,1,0,0|2,0,0]=3 5914 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,0,0,1,0,0|2,0,0]=3 5915 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,0,0,1,0,0|2,0,0]=3 5916 B11R1.1 CCCOC1CNC(=O)NC1 34a_100000080929_100000210303 [0,0,0,1,0,0|3,0,0]=4 5917 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,0,0,1,0,0|2,0,0]=3 5918 B11R1.1 COCNC1CCC(=O)NC1 2230a_100000748762_100000766300 [0,0,0,1,0,0|3,0,0]=4 5919 B11R1.1 CSCNC1CCC(=O)NC1 2230a_100000748762_100011218213 [0,0,0,1,0,0|3,0,0]=4 5920 B11R1.1 CSCNC1CCC(=O)NC1 34a_100000748762_100011218213 [0,0,0,1,0,0|3,0,0]=4 5921 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [0,0,0,1,0,0|3,0,0]=4 5922 B11R1.1 CSCOC1CCC(=O)NC1 34a_100000079199_100011218213 [0,0,0,1,0,0|3,0,0]=4 5923 B11R1.1 O=C1CCC(CC1)COCF 34a_100000062911_100015361967 [0,0,0,1,0,0|3,0,0]=4 5924 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [0,0,0,1,0,0|3,0,0]=4 5925 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [0,0,0,1,0,0|3,0,0]=4 5926 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,0,0,1,0,0|3,0,0]=4 5927 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,0,0,1,0,0|3,0,0]=4 5928 B11R1.1 O=C1CCC(CN1)NCCF 2230a_100000748762_100011217306 [0,0,0,1,0,0|3,0,0]=4 5929 B11R1.1 O=C1CCC(CN1)NCCF 34a_100000748762_100011217306 [0,0,0,1,0,0|3,0,0]=4 5930 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [0,0,0,1,0,0|3,0,0]=4 5931 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [0,0,0,1,0,0|3,0,0]=4 5932 B11R1.1 O=C1CCC(CN1)OCCF 34a_100000079199_100011217306 [0,0,0,1,0,0|3,0,0]=4 5933 B11R1.1 O=C1CCC(CN1)OCCO 34a_100000079199_100000211926 [0,0,0,1,0,0|3,0,0]=4 5934 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,0,0,1,0,0|3,0,0]=4 5935 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,0,0,1,0,0|3,0,0]=4 5936 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,0,0,1,0,0|3,0,0]=4 5937 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,0,0,1,0,0|2,0,0]=3 5938 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,0,0,1,0,0|2,0,0]=3 5939 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,0,0,1,0,0|2,0,0]=3 5940 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,0,0,1,0,0|2,0,0]=3 5941 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [0,0,0,1,0,0|1,0,1]=3 5942 B11R1.25 C#CC(=O)CCN1CCCC1 1458a_100000211873_100000004467 [0,0,0,1,0,0|2,0,1]=4 5943 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,0,0,1,0,0|1,0,1]=3 5944 B11R1.25 C=CC(=O)CCN1CCCC1 1458a_100000185746_100000004467 [0,0,0,1,0,0|2,0,1]=4 5945 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,0,0,1,0,0|2,0,1]=4 5946 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,0,0,1,0,0|2,0,1]=4 5947 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,0,0,1,0,0|1,0,0]=2 5948 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,0,0,1,0,0|1,0,0]=2 5949 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,0,0,1,0,0|2,0,0]=3 5950 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [0,0,0,1,0,0|3,0,0]=4 5951 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [0,0,0,1,0,0|3,0,0]=4 5952 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,0,0,1,0,0|2,0,0]=3 5953 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,0,0,1,0,0|2,0,0]=3 5954 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,0,0,1,0,0|3,0,0]=4 5955 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,0,0,1,0,0|2,0,0]=3 5956 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,0,0,1,0,0|2,0,0]=3 5957 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,0,0,1,0,0|2,0,0]=3 5958 B11R1.25 CCC(=O)COC1CCOC1 34a_100000725409_100000690089 [0,0,0,1,0,0|3,0,0]=4 5959 B11R1.25 CCC(=O)COC1CCSC1 7a_100011232664_100000747405 [0,0,0,1,0,0|3,0,0]=4 5960 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,0,0,1,0,0|2,0,0]=3 5961 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,0,0,1,0,0|2,0,0]=3 5962 B11R1.25 CCC(=O)CSC1CCOC1 62a_100000747405_100000690089 [0,0,0,1,0,0|3,0,0]=4 5963 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,0,0,1,0,0|2,0,0]=3 5964 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,0,0,1,0,0|2,0,0]=3 5965 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,0,0,1,0,0|2,0,0]=3 5966 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,0,0,1,0,0|2,0,0]=3 5967 B11R1.25 CCC(=O)NCC1CCOC1 11a_100000737293_100000210414 [0,0,0,1,0,0|3,0,0]=4 5968 B11R1.25 CCC(=O)NCC1CCOC1 1626a_100000737293_100000210414 [0,0,0,1,0,0|3,0,0]=4 5969 B11R1.25 CCC(=O)NCC1CCOC1 240690a_100000737293_100000210414 [0,0,0,1,0,0|3,0,0]=4 5970 B11R1.25 CCC(=O)NCC1CCOC1 527a_100000737293_100000210414 [0,0,0,1,0,0|3,0,0]=4 5971 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,0,0,1,0,0|3,0,0]=4 5972 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,0,0,1,0,0|3,0,0]=4 5973 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,0,0,1,0,0|3,0,0]=4 5974 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,0,0,1,0,0|3,0,0]=4 5975 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [0,0,0,1,0,0|3,0,0]=4 5976 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,0,0,1,0,0|3,0,0]=4 5977 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,0,0,1,0,0|3,0,0]=4 5978 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,0,0,1,0,0|1,0,0]=2 5979 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 5980 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 5981 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 5982 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,0,0,1,0,0|2,0,0]=3 5983 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 5984 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 5985 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 5986 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [0,0,0,1,0,0|2,0,0]=3 5987 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [0,0,0,1,0,0|2,0,0]=3 5988 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [0,0,0,1,0,0|2,0,0]=3 5989 B11R1.25 CNC(=O)CCN1CCCO1 240690a_100102657272_200015187630 [0,0,0,1,0,0|3,0,0]=4 5990 B11R1.25 CNC(=O)CCN1CCSC1 2230a_100011215254_100000737683 [0,0,0,1,0,0|3,0,0]=4 5991 B11R1.25 CNC(=O)CCN1CCSC1 269982a_100011215254_100000737683 [0,0,0,1,0,0|3,0,0]=4 5992 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,0,0,1,0,0|2,0,0]=3 5993 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,0,0,1,0,0|2,0,0]=3 5994 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,0,0,1,0,0|2,0,0]=3 5995 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,0,0,1,0,0|2,0,0]=3 5996 B11R1.25 CNC(=O)CNC1CCOC1 2230a_100000693194_100000731011 [0,0,0,1,0,0|3,0,0]=4 5997 B11R1.25 CNC(=O)CNC1CCOC1 270004a_100000693194_100000752484 [0,0,0,1,0,0|3,0,0]=4 5998 B11R1.25 CNC(=O)CNC1CCSC1 270004a_100000693194_100000212027 [0,0,0,1,0,0|3,0,0]=4 5999 B11R1.25 CNC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000183359 [0,0,0,1,0,0|3,0,0]=4 6000 B11R1.25 CNC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000183359 [0,0,0,1,0,0|3,0,0]=4 6001 B11R1.25 CNC(=O)CN[C@H]1CCOC1 34a_100015188467_100000183359 [0,0,0,1,0,0|3,0,0]=4 6002 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,0,0,1,0,0|2,0,0]=3 6003 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 6004 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 6005 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,0,0,1,0,0|2,0,0]=3 6006 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,0,0,1,0,0|2,0,0]=3 6007 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 6008 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,0,0,1,0,0|2,0,0]=3 6009 B11R1.25 CNC(=O)COC1CCCO1 34a_100000085407_100000183359 [0,0,0,1,0,0|3,0,0]=4 6010 B11R1.25 CNC(=O)COC1CCOC1 34a_100000750040_100000690089 [0,0,0,1,0,0|3,0,0]=4 6011 B11R1.25 CNC(=O)COC1CCSC1 7a_100011232664_100000183359 [0,0,0,1,0,0|3,0,0]=4 6012 B11R1.25 CNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000183359 [0,0,0,1,0,0|3,0,0]=4 6013 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,0,0,1,0,0|2,0,0]=3 6014 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,0,0,1,0,0|2,0,0]=3 6015 B11R1.25 CNC(=O)CSC1CCOC1 62a_100000183359_100000690089 [0,0,0,1,0,0|3,0,0]=4 6016 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,0,0,1,0,0|2,0,0]=3 6017 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,0,0,1,0,0|2,0,0]=3 6018 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,0,0,1,0,0|2,0,0]=3 6019 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,0,0,1,0,0|2,0,0]=3 6020 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,0,0,1,0,0|2,0,0]=3 6021 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,0,0,1,0,0|2,0,0]=3 6022 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100000737293_106832991635 [0,0,0,1,0,0|3,0,0]=4 6023 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100102657272_100000737293 [0,0,0,1,0,0|3,0,0]=4 6024 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100000737293_100102657272 [0,0,0,1,0,0|3,0,0]=4 6025 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100102657272_100000737293 [0,0,0,1,0,0|3,0,0]=4 6026 B11R1.25 CNC(=O)NCC1CCOC1 512a_100000737293_100102657272 [0,0,0,1,0,0|3,0,0]=4 6027 B11R1.25 CNC(=O)NCC1CCOC1 512a_106832991638_100000737293 [0,0,0,1,0,0|3,0,0]=4 6028 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_106832991635 [0,0,0,1,0,0|3,0,0]=4 6029 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100102657272_100020590478 [0,0,0,1,0,0|3,0,0]=4 6030 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100102657272 [0,0,0,1,0,0|3,0,0]=4 6031 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100102657272_100020590478 [0,0,0,1,0,0|3,0,0]=4 6032 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100102657272 [0,0,0,1,0,0|3,0,0]=4 6033 B11R1.25 CNC(=O)NNC1CCCC1 273464a_100102657272_100000737850 [0,0,0,1,0,0|3,0,0]=4 6034 B11R1.25 CNC(=O)NNC1CCCC1 512a_106832991638_100000737850 [0,0,0,1,0,0|3,0,0]=4 6035 B11R1.25 COC(=O)CCN1CC=CC1 269982a_100015195280_100000204255 [0,0,0,1,0,0|1,0,2]=4 6036 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,0,0,1,0,0|1,0,0]=2 6037 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,0,0,1,0,0|1,0,0]=2 6038 B11R1.25 COC(=O)CCN1CCSC1 2230a_100011215254_100000204255 [0,0,0,1,0,0|2,0,0]=3 6039 B11R1.25 COC(=O)CCN1CCSC1 269982a_100011215254_100000204255 [0,0,0,1,0,0|2,0,0]=3 6040 B11R1.25 COC(=O)CNC1CC=CC1 2230a_100015188752_100000747449 [0,0,0,1,0,0|1,0,2]=4 6041 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,0,0,1,0,0|1,0,0]=2 6042 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,0,0,1,0,0|1,0,0]=2 6043 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [0,0,0,1,0,0|2,0,0]=3 6044 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [0,0,0,1,0,0|2,0,0]=3 6045 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [0,0,0,1,0,0|2,0,0]=3 6046 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,0,0,1,0,0|1,0,0]=2 6047 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,0,0,1,0,0|1,0,0]=2 6048 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [0,0,0,1,0,0|2,0,0]=3 6049 B11R1.25 COC(=O)COC1CCSC1 7a_100011232664_100000747449 [0,0,0,1,0,0|2,0,0]=3 6050 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [0,0,0,1,0,0|2,0,0]=3 6051 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,0,0,1,0,0|1,0,0]=2 6052 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,0,0,1,0,0|1,0,0]=2 6053 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [0,0,0,1,0,0|2,0,0]=3 6054 B11R1.25 COC(C)COC1CCCC1 34a_100000690652_100000179811 [0,0,0,1,0,0|2,0,1]=4 6055 B11R1.25 COC(C)SCC1CCCC1 62a_100000740388_100009879195 [0,0,0,1,0,0|2,0,1]=4 6056 B11R1.25 COC(C)SCC1CCCC1 62a_100009879195_100000740388 [0,0,0,1,0,0|2,0,1]=4 6057 B11R1.25 CO[C@H](C)CNC1CCCC1 2230a_100020591295_100000179811 [0,0,0,1,0,0|2,0,1]=4 6058 B11R1.25 CO[C@H](C)CNC1CCCC1 270004a_100020591295_100000210133 [0,0,0,1,0,0|2,0,1]=4 6059 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,0,0,1,0,0|2,0,0]=3 6060 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,0,0,1,0,0|3,0,0]=4 6061 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [0,0,0,1,0,0|3,0,0]=4 6062 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,0,0,1,0,0|3,0,0]=4 6063 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,0,0,1,0,0|2,0,0]=3 6064 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,0,0,1,0,0|3,0,0]=4 6065 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,0,0,1,0,0|3,0,0]=4 6066 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,0,0,1,0,0|3,0,0]=4 6067 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,1,0,0|2,0,0]=3 6068 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,0,0,1,0,0|2,0,0]=3 6069 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,1,0,0|2,0,0]=3 6070 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,0,0,1,0,0|2,0,0]=3 6071 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,0,1,0,0|2,0,0]=3 6072 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,0,1,0,0|2,0,0]=3 6073 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,0,0,1,0,0|2,0,0]=3 6074 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,0,0,1,0,0|2,0,0]=3 6075 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,0,0,1,0,0|3,0,0]=4 6076 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,0,0,1,0,0|3,0,0]=4 6077 B11R1.27 CCCNN=C1COC(=O)C1 4a_100000740057_100000211896 [0,0,0,1,0,0|2,0,1]=4 6078 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,0,0,1,0,0|1,0,2]=4 6079 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,0,0,1,0,0|3,0,0]=4 6080 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,0,0,1,0,0|2,0,0]=3 6081 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,1,0,0|3,0,0]=4 6082 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,1,0,0|3,0,0]=4 6083 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,0|2,0,0]=3 6084 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,0,0,1,0,0|2,0,0]=3 6085 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,0,0,1,0,0|1,0,2]=4 6086 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,0,0,1,0,0|1,0,2]=4 6087 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,0|3,0,0]=4 6088 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,0|3,0,0]=4 6089 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,0|2,0,0]=3 6090 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,0|2,0,0]=3 6091 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,0,1,0,0|3,0,0]=4 6092 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,0,1,0,0|3,0,0]=4 6093 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,0,0,1,0,0|2,0,0]=3 6094 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,0,0,1,0,0|2,0,0]=3 6095 B11R1.27 CCOCCN1CNC(=O)C1 2230a_200000708111_100011215890 [0,0,0,1,0,0|3,0,0]=4 6096 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [0,0,0,1,0,0|3,0,0]=4 6097 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [0,0,0,1,0,0|3,0,0]=4 6098 B11R1.27 CCSCCN1CNC(=O)C1 2230a_200000708111_100000757381 [0,0,0,1,0,0|3,0,0]=4 6099 B11R1.27 COCCCN1CNC(=O)C1 2230a_200000708111_100000740836 [0,0,0,1,0,0|3,0,0]=4 6100 B11R1.27 COCCNC1CNC(=O)C1 2230a_100000697751_100011201679 [0,0,0,1,0,0|3,0,0]=4 6101 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,0,0,1,0,0|3,0,0]=4 6102 B11R1.27 COCCOC1CNC(=O)C1 34a_100000690082_100011201679 [0,0,0,1,0,0|3,0,0]=4 6103 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [0,0,0,1,0,0|3,0,0]=4 6104 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [0,0,0,1,0,0|3,0,0]=4 6105 B11R1.27 COCNCC1CNC(=O)C1 2230a_100016993742_100000766300 [0,0,0,1,0,0|3,0,0]=4 6106 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,0,0,1,0,0|3,0,0]=4 6107 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,0,0,1,0,0|3,0,0]=4 6108 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100000766300_100015307671 [0,0,0,1,0,0|3,0,0]=4 6109 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100015307671_100000766300 [0,0,0,1,0,0|3,0,0]=4 6110 B11R1.27 CSCCNC1CNC(=O)C1 2230a_100000697751_100000751147 [0,0,0,1,0,0|3,0,0]=4 6111 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,0,0,1,0,0|3,0,0]=4 6112 B11R1.27 CSCCOC1CNC(=O)C1 34a_100000690082_100000212216 [0,0,0,1,0,0|3,0,0]=4 6113 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [0,0,0,1,0,0|3,0,0]=4 6114 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [0,0,0,1,0,0|3,0,0]=4 6115 B11R1.27 CSCNCC1CNC(=O)C1 2230a_100016993742_100011218213 [0,0,0,1,0,0|3,0,0]=4 6116 B11R1.27 CSCNCC1CNC(=O)C1 34a_100016993742_100011218213 [0,0,0,1,0,0|3,0,0]=4 6117 B11R1.27 CSCOCC1CNC(=O)C1 34a_100016041077_100011218213 [0,0,0,1,0,0|3,0,0]=4 6118 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,0,0,1,0,0|3,0,0]=4 6119 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,0,0,1,0,0|3,0,0]=4 6120 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100011218213_100015307671 [0,0,0,1,0,0|3,0,0]=4 6121 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100015307671_100011218213 [0,0,0,1,0,0|3,0,0]=4 6122 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,0,0,1,0,0|3,0,0]=4 6123 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,0,0,1,0,0|3,0,0]=4 6124 B11R1.27 NCCOC[C@H]1COC(=O)N1 34a_100000210304_100015307671 [0,0,0,1,0,0|3,0,0]=4 6125 B11R1.27 O=C1CC(CN1)CNCCF 2230a_100016993742_100011217306 [0,0,0,1,0,0|3,0,0]=4 6126 B11R1.27 O=C1CC(CN1)CNCCF 34a_100016993742_100011217306 [0,0,0,1,0,0|3,0,0]=4 6127 B11R1.27 O=C1CC(CN1)CNCCO 2230a_100016993742_100000211926 [0,0,0,1,0,0|3,0,0]=4 6128 B11R1.27 O=C1CC(CN1)CNCCO 34a_100016993742_100000211926 [0,0,0,1,0,0|3,0,0]=4 6129 B11R1.27 O=C1CC(CN1)COCCF 34a_100016041077_100011217306 [0,0,0,1,0,0|3,0,0]=4 6130 B11R1.27 O=C1CC(CN1)COCCO 34a_100016041077_100000211926 [0,0,0,1,0,0|3,0,0]=4 6131 B11R1.27 O=C1CC(CN1)NCCCF 2230a_100000697751_100011934791 [0,0,0,1,0,0|3,0,0]=4 6132 B11R1.27 O=C1CC(CN1)NCCCO 2230a_100000697751_100000230001 [0,0,0,1,0,0|3,0,0]=4 6133 B11R1.27 O=C1CC(CN1)OCCCF 34a_100000690082_100011934791 [0,0,0,1,0,0|3,0,0]=4 6134 B11R1.27 O=C1CC(CN1)OCCCO 34a_100000690082_100000230001 [0,0,0,1,0,0|3,0,0]=4 6135 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,0,0,1,0,0|3,0,0]=4 6136 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,0,0,1,0,0|3,0,0]=4 6137 B11R1.27 O=C1CN(CN1)CCCCF 2230a_200000708111_100000729493 [0,0,0,1,0,0|3,0,0]=4 6138 B11R1.27 O=C1CN(CN1)CCCCO 2230a_200000708111_100000210776 [0,0,0,1,0,0|3,0,0]=4 6139 B11R1.27 O=C1N[C@H](CO1)CNCCF 34a_100000724931_100015307671 [0,0,0,1,0,0|3,0,0]=4 6140 B11R1.27 O=C1N[C@H](CO1)CNCCO 2230a_100016997473_100015307671 [0,0,0,1,0,0|3,0,0]=4 6141 B11R1.27 O=C1N[C@H](CO1)CNCCO 34a_100016990907_100015307671 [0,0,0,1,0,0|3,0,0]=4 6142 B11R1.27 O=C1N[C@H](CO1)COCCBr 34a_100000211926_100015307671 [0,0,0,1,0,0|3,0,0]=4 6143 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100011217306_100015307671 [0,0,0,1,0,0|3,0,0]=4 6144 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100015307671_100011217306 [0,0,0,1,0,0|3,0,0]=4 6145 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100000211926_100015307671 [0,0,0,1,0,0|3,0,0]=4 6146 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100015307671_100000211926 [0,0,0,1,0,0|3,0,0]=4 6147 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,0,0,1,0,0|3,0,0]=4 6148 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,0,0,1,0,0|3,0,0]=4 6149 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,0,0,1,0,0|3,0,0]=4 6150 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,0,0,1,0,0|3,0,0]=4 6151 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,0,0,1,0,0|3,0,0]=4 6152 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,0,0,1,0,0|3,0,0]=4 6153 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,0,0,1,0,0|3,0,0]=4 6154 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [0,0,0,1,0,0|3,0,0]=4 6155 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [0,0,0,1,0,0|3,0,0]=4 6156 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [0,0,0,1,0,0|3,0,0]=4 6157 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [0,0,0,1,0,0|3,0,0]=4 6158 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [0,0,0,1,0,0|3,0,0]=4 6159 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,0,0,1,0,0|3,0,0]=4 6160 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,0,0,1,0,0|1,0,1]=3 6161 B11R1.40 C#CC(=O)CC1CCCCO1 1458a_100000211873_100000211543 [0,0,0,1,0,0|2,0,1]=4 6162 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,0,0,1,0,0|2,0,1]=4 6163 B11R1.40 C#CC(=O)CC1CCOCC1 1458a_100000211873_100000754603 [0,0,0,1,0,0|2,0,1]=4 6164 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,0,0,1,0,0|1,0,1]=3 6165 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,0,0,1,0,0|2,0,1]=4 6166 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,0,0,1,0,0|2,0,1]=4 6167 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,0,0,1,0,0|2,0,1]=4 6168 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,0,0,1,0,0|2,0,1]=4 6169 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,0,0,1,0,0|2,0,1]=4 6170 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,0,0,1,0,0|1,0,2]=4 6171 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [0,0,0,1,0,0|1,0,2]=4 6172 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,0,0,1,0,0|1,0,0]=2 6173 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,0,0,1,0,0|1,0,0]=2 6174 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,0,0,1,0,0|2,0,0]=3 6175 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,0,0,1,0,0|2,0,0]=3 6176 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,0,0,1,0,0|2,0,0]=3 6177 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,0,0,1,0,0|2,0,0]=3 6178 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,0,0,1,0,0|2,0,0]=3 6179 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,0,0,1,0,0|2,0,0]=3 6180 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,0,0,1,0,0|2,0,0]=3 6181 B11R1.40 CCC(=O)CN1CCCOC1 269982a_100000131196_100000747405 [0,0,0,1,0,0|3,0,0]=4 6182 B11R1.40 CCC(=O)CN1CCOCC1 1458a_100000740321_100000210202 [0,0,0,1,0,0|3,0,0]=4 6183 B11R1.40 CCC(=O)CN1CCOCC1 269982a_100015191051_100000747405 [0,0,0,1,0,0|3,0,0]=4 6184 B11R1.40 CCC(=O)CN1CCSCC1 269982a_100000737611_100000747405 [0,0,0,1,0,0|3,0,0]=4 6185 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,0,0,1,0,0|2,0,0]=3 6186 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,0,0,1,0,0|2,0,0]=3 6187 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,0,0,1,0,0|2,0,0]=3 6188 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,0,0,1,0,0|2,0,0]=3 6189 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,0,0,1,0,0|3,0,0]=4 6190 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,0,0,1,0,0|3,0,0]=4 6191 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,0,0,1,0,0|3,0,0]=4 6192 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,0,0,1,0,0|3,0,0]=4 6193 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [0,0,0,1,0,0|3,0,0]=4 6194 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [0,0,0,1,0,0|3,0,0]=4 6195 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [0,0,0,1,0,0|3,0,0]=4 6196 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [0,0,0,1,0,0|3,0,0]=4 6197 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [0,0,0,1,0,0|3,0,0]=4 6198 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [0,0,0,1,0,0|3,0,0]=4 6199 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [0,0,0,1,0,0|3,0,0]=4 6200 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [0,0,0,1,0,0|3,0,0]=4 6201 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,0,0,1,0,0|3,0,0]=4 6202 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,0,0,1,0,0|3,0,0]=4 6203 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,0,0,1,0,0|3,0,0]=4 6204 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,0,0,1,0,0|3,0,0]=4 6205 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,0,0,1,0,0|3,0,0]=4 6206 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,0,0,1,0,0|1,0,2]=4 6207 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,0,0,1,0,0|1,0,2]=4 6208 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,0,0,1,0,0|1,0,2]=4 6209 B11R1.40 CNC(=O)CC1=CCCCC1 11a_106832991635_100000039269 [0,0,0,1,0,0|1,0,2]=4 6210 B11R1.40 CNC(=O)CC1=CCCCC1 1626a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 6211 B11R1.40 CNC(=O)CC1=CCCCC1 240690a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 6212 B11R1.40 CNC(=O)CC1=CCCCC1 527a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 6213 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,0,0,1,0,0|1,0,0]=2 6214 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 6215 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 6216 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 6217 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,0,0,1,0,0|2,0,0]=3 6218 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 6219 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 6220 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 6221 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,0,0,1,0,0|2,0,0]=3 6222 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 6223 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 6224 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 6225 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [0,0,0,1,0,0|2,0,0]=3 6226 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 6227 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 6228 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 6229 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,0,0,1,0,0|2,0,0]=3 6230 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,0,0,1,0,0|2,0,0]=3 6231 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,0,0,1,0,0|2,0,0]=3 6232 B11R1.40 CNC(=O)CN1CCCOC1 2230a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 6233 B11R1.40 CNC(=O)CN1CCCOC1 269982a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 6234 B11R1.40 CNC(=O)CN1CCCOC1 34a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 6235 B11R1.40 CNC(=O)CN1CCOCC1 11a_106832991635_100000740321 [0,0,0,1,0,0|3,0,0]=4 6236 B11R1.40 CNC(=O)CN1CCOCC1 2230a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 6237 B11R1.40 CNC(=O)CN1CCOCC1 240690a_100102657272_100000740321 [0,0,0,1,0,0|3,0,0]=4 6238 B11R1.40 CNC(=O)CN1CCOCC1 269982a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 6239 B11R1.40 CNC(=O)CN1CCOCC1 34a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 6240 B11R1.40 CNC(=O)CN1CCOCC1 527a_100102657272_100000740321 [0,0,0,1,0,0|3,0,0]=4 6241 B11R1.40 CNC(=O)CN1CCSCC1 2230a_100000737611_100000183359 [0,0,0,1,0,0|3,0,0]=4 6242 B11R1.40 CNC(=O)CN1CCSCC1 269982a_100000737611_100000183359 [0,0,0,1,0,0|3,0,0]=4 6243 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,0,0,1,0,0|2,0,0]=3 6244 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,0,0,1,0,0|2,0,0]=3 6245 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,0,0,1,0,0|2,0,0]=3 6246 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,0,0,1,0,0|2,0,0]=3 6247 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,0,0,1,0,0|3,0,0]=4 6248 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,0,0,1,0,0|3,0,0]=4 6249 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,0,0,1,0,0|3,0,0]=4 6250 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,0,0,1,0,0|3,0,0]=4 6251 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,0,0,1,0,0|3,0,0]=4 6252 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,0,0,1,0,0|3,0,0]=4 6253 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100000741149_106832991635 [0,0,0,1,0,0|3,0,0]=4 6254 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100102657272_100000741149 [0,0,0,1,0,0|3,0,0]=4 6255 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100000741149_100102657272 [0,0,0,1,0,0|3,0,0]=4 6256 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100102657272_100000741149 [0,0,0,1,0,0|3,0,0]=4 6257 B11R1.40 CNC(=O)NC1CCOCC1 512a_100000741149_100102657272 [0,0,0,1,0,0|3,0,0]=4 6258 B11R1.40 CNC(=O)NC1CCOCC1 512a_106832991638_100000741149 [0,0,0,1,0,0|3,0,0]=4 6259 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100000748639_106832991635 [0,0,0,1,0,0|3,0,0]=4 6260 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100102657272_100000748639 [0,0,0,1,0,0|3,0,0]=4 6261 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100000748639_100102657272 [0,0,0,1,0,0|3,0,0]=4 6262 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100102657272_100000748639 [0,0,0,1,0,0|3,0,0]=4 6263 B11R1.40 CNC(=O)NC1CCSCC1 512a_100000748639_100102657272 [0,0,0,1,0,0|3,0,0]=4 6264 B11R1.40 CNC(=O)NC1CCSCC1 512a_106832991638_100000748639 [0,0,0,1,0,0|3,0,0]=4 6265 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,0,0,1,0,0|2,0,1]=4 6266 B11R1.40 COC(=O)CN1CC=CCC1 2230a_100000698166_100000747449 [0,0,0,1,0,0|1,0,2]=4 6267 B11R1.40 COC(=O)CN1CC=CCC1 269982a_100000698166_100000747449 [0,0,0,1,0,0|1,0,2]=4 6268 B11R1.40 COC(=O)CN1CC=CCC1 34a_100000698166_100000747449 [0,0,0,1,0,0|1,0,2]=4 6269 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [0,0,0,1,0,0|2,0,0]=3 6270 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [0,0,0,1,0,0|2,0,0]=3 6271 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [0,0,0,1,0,0|2,0,0]=3 6272 B11R1.40 COC(=O)CN1CCOCC1 2230a_100015191051_100000747449 [0,0,0,1,0,0|2,0,0]=3 6273 B11R1.40 COC(=O)CN1CCOCC1 269982a_100015191051_100000747449 [0,0,0,1,0,0|2,0,0]=3 6274 B11R1.40 COC(=O)CN1CCOCC1 34a_100015191051_100000747449 [0,0,0,1,0,0|2,0,0]=3 6275 B11R1.40 COC(=O)CN1CCSCC1 2230a_100000737611_100000747449 [0,0,0,1,0,0|2,0,0]=3 6276 B11R1.40 COC(=O)CN1CCSCC1 269982a_100000737611_100000747449 [0,0,0,1,0,0|2,0,0]=3 6277 B11R1.40 COC(C)SC1CCCCC1 62a_100000210327_100009879195 [0,0,0,1,0,0|2,0,1]=4 6278 B11R1.40 COC(C)SC1CCCCC1 62a_100009879195_100000210327 [0,0,0,1,0,0|2,0,1]=4 6279 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,0,0,1,0,0|2,0,0]=3 6280 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,0,0,1,0,0|3,0,0]=4 6281 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,0,0,1,0,0|3,0,0]=4 6282 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [0,0,0,1,0,0|3,0,0]=4 6283 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [0,0,0,1,0,0|3,0,0]=4 6284 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,0,0,1,0,0|2,0,0]=3 6285 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,0,0,1,0,0|3,0,0]=4 6286 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,0,0,1,0,0|3,0,0]=4 6287 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,0,0,1,0,0|3,0,0]=4 6288 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,0,0,1,0,0|3,0,0]=4 6289 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,0,0,1,0,0|3,0,0]=4 6290 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,0,0,1,0,0|3,0,0]=4 6291 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,0,0,1,0,0|2,0,1]=4 6292 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,0,0,1,0,0|2,0,1]=4 6293 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,0,0,1,0,0|2,0,1]=4 6294 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,0,0,1,0,0|2,0,1]=4 6295 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,0,0,1,0,0|2,0,1]=4 6296 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,0,0,1,0,0|2,0,1]=4 6297 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,0,0,1,0,0|2,0,1]=4 6298 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,0,0,1,0,0|2,0,1]=4 6299 B11R1.59 C=CC(=O)N1CCCC1CC 1626a_100000754278_100000185746 [0,0,0,1,0,0|2,0,1]=4 6300 B11R1.59 C=CC(=O)N1CCCC1CC 240690a_100000754278_200121576911 [0,0,0,1,0,0|2,0,1]=4 6301 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,0,0,1,0,0|2,0,0]=3 6302 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,0,0,1,0,0|2,0,0]=3 6303 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,0,0,1,0,0|2,0,0]=3 6304 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,0,0,1,0,0|2,0,0]=3 6305 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,0,0,1,0,0|2,0,0]=3 6306 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [0,0,0,1,0,0|3,0,0]=4 6307 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [0,0,0,1,0,0|3,0,0]=4 6308 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,0,0,1,0,0|3,0,0]=4 6309 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,0,0,1,0,0|3,0,0]=4 6310 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [0,0,0,1,0,0|2,0,0]=3 6311 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [0,0,0,1,0,0|2,0,0]=3 6312 B11R1.59 CCC1CCCN1C(C)OC 269982a_100000754278_100009879195 [0,0,0,1,0,0|2,0,1]=4 6313 B11R1.59 CCN1CCCC1C(=O)CF 1458a_106256033941_100015361967 [0,0,0,1,0,0|3,0,0]=4 6314 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [0,0,0,1,0,0|2,0,0]=3 6315 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [0,0,0,1,0,0|2,0,0]=3 6316 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [0,0,0,1,0,0|2,0,0]=3 6317 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [0,0,0,1,0,0|2,0,0]=3 6318 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [0,0,0,1,0,0|2,0,0]=3 6319 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [0,0,0,1,0,0|1,0,0]=2 6320 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [0,0,0,1,0,0|1,0,0]=2 6321 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [0,0,0,1,0,0|2,0,0]=3 6322 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [0,0,0,1,0,0|2,0,0]=3 6323 B11R1.59 CCN1CSCC1C(=O)OC 269982a_200000724679_100000204670 [0,0,0,1,0,0|2,0,0]=3 6324 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 2708a_100102657272_100000745186 [0,0,0,1,0,0|3,0,0]=4 6325 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 273464a_100102657272_100000745186 [0,0,0,1,0,0|3,0,0]=4 6326 B11R1.59 CNC(=O)[C@@H]1CCCN1CF 269982a_100015185040_100015361967 [0,0,0,1,0,0|3,0,0]=4 6327 B11R1.59 CNC(=O)[C@@H]1CCCN1CF 34a_100015185040_100015361967 [0,0,0,1,0,0|3,0,0]=4 6328 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,0,0,1,0,0|1,0,0]=2 6329 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,0,0,1,0,0|1,0,0]=2 6330 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,0,0,1,0,0|1,0,0]=2 6331 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,0,0,1,0,0|1,0,0]=2 6332 B11R1.59 COC(=O)C1CSCN1CF 269982a_200000724679_100015361967 [0,0,0,1,0,0|3,0,0]=4 6333 B11R1.59 COC(=O)C1SCCN1CF 269982a_100015296106_100015361967 [0,0,0,1,0,0|3,0,0]=4 6334 B11R1.59 COC(=O)[C@@H]1CCCN1CF 269982a_100000752040_100015361967 [0,0,0,1,0,0|2,0,0]=3 6335 B11R1.115 C#CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000038162 [0,0,0,1,0,0|1,0,2]=4 6336 B11R1.115 C=CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210623 [0,0,0,1,0,0|1,0,2]=4 6337 B11R1.115 C=CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210623 [0,0,0,1,0,0|1,0,2]=4 6338 B11R1.115 CCC(=O)N1CCC1COC 11a_100015195929_100000210414 [0,0,0,1,0,0|3,0,0]=4 6339 B11R1.115 CCC(=O)N1CCC1COC 1626a_100015195929_100000210414 [0,0,0,1,0,0|3,0,0]=4 6340 B11R1.115 CCC(=O)N1CCC1COC 240690a_100015195929_100000210414 [0,0,0,1,0,0|3,0,0]=4 6341 B11R1.115 CCC(=O)N1CCC1COC 527a_100015195929_100000210414 [0,0,0,1,0,0|3,0,0]=4 6342 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [0,0,0,1,0,0|1,0,0]=2 6343 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [0,0,0,1,0,0|1,0,0]=2 6344 B11R1.115 CNC(=O)N1CCC1COC 2708a_100102657272_100015195929 [0,0,0,1,0,0|3,0,0]=4 6345 B11R1.115 CNC(=O)N1CCC1COC 273464a_100102657272_100015195929 [0,0,0,1,0,0|3,0,0]=4 6346 B11R1.115 COC(=O)[C@@H]1CCN1CC#N 2230a_102516456887_100011215382 [0,0,0,1,0,0|2,0,1]=4 6347 B11R1.115 COC(=O)[C@@H]1CCN1CC#N 269982a_102516456887_100011214920 [0,0,0,1,0,0|2,0,1]=4 6348 B11R1.115 COC(=O)[C@@H]1CCN1CC=O 2230a_102516456887_200015260668 [0,0,0,1,0,0|2,0,1]=4 6349 B11R1.115 COC(=O)[C@@H]1CCN1CC=O 269982a_102516456887_200015260668 [0,0,0,1,0,0|2,0,1]=4 6350 B11R1.115 COC(=O)[C@@H]1CCN1CCF 2230a_102516456887_100011217306 [0,0,0,1,0,0|2,0,0]=3 6351 B11R1.115 COC(=O)[C@@H]1CCN1CCF 269982a_102516456887_100011217306 [0,0,0,1,0,0|2,0,0]=3 6352 B11R1.115 COC(=O)[C@@H]1CCN1CCO 2230a_102516456887_100000211926 [0,0,0,1,0,0|2,0,0]=3 6353 B11R1.115 COC(=O)[C@@H]1CCN1CCO 269982a_102516456887_100000211926 [0,0,0,1,0,0|2,0,0]=3 6354 B11R1.115 COC(=O)[C@@H]1CCN1CSC 2230a_102516456887_100011218213 [0,0,0,1,0,0|2,0,0]=3 6355 B11R1.115 COC(=O)[C@@H]1CCN1CSC 269982a_102516456887_100011218213 [0,0,0,1,0,0|2,0,0]=3 6356 B11R1.115 COCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000766300 [0,0,0,1,0,0|2,0,0]=3 6357 B11R1.115 COCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000766300 [0,0,0,1,0,0|2,0,0]=3 6358 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,0,1,0,0|3,0,0]=4 6359 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,0,1,0,0|3,0,0]=4 6360 B11R1.189 CCCN1CCCC(C1)OC 2230a_100000695604_100000210303 [0,0,0,1,0,0|2,0,1]=4 6361 B11R1.189 CCCN1CCCC(C1)OC 269982a_100000695604_100000210303 [0,0,0,1,0,0|2,0,1]=4 6362 B11R1.189 CCCN1CCCC(C1)OC 34a_100000695604_100000210303 [0,0,0,1,0,0|2,0,1]=4 6363 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,0,0,1,0,0|2,0,0]=3 6364 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,0,0,1,0,0|2,0,0]=3 6365 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,0,0,1,0,0|2,0,0]=3 6366 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,0,0,1,0,0|2,0,0]=3 6367 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,0,1,0,0|2,0,0]=3 6368 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,0,1,0,0|2,0,0]=3 6369 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,0,0,1,0,0|3,0,0]=4 6370 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,0,0,1,0,0|3,0,0]=4 6371 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,0,0,1,0,0|3,0,0]=4 6372 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,0,0,1,0,0|3,0,0]=4 6373 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,0,0,1,0,0|3,0,0]=4 6374 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,0,0,1,0,0|3,0,0]=4 6375 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,0,0,1,0,0|3,0,0]=4 6376 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,0,0,1,0,0|3,0,0]=4 6377 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,0,0,1,0,0|3,0,0]=4 6378 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,0,0,1,0,0|3,0,0]=4 6379 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [0,0,0,1,0,0|3,0,0]=4 6380 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [0,0,0,1,0,0|3,0,0]=4 6381 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [0,0,0,1,0,0|3,0,0]=4 6382 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [0,0,0,1,0,0|3,0,0]=4 6383 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,0,0,1,0,0|3,0,0]=4 6384 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,0,0,1,0,0|3,0,0]=4 6385 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [0,0,0,1,0,0|3,0,0]=4 6386 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [0,0,0,1,0,0|3,0,0]=4 6387 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,0,0,1,0,0|3,0,0]=4 6388 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,0,0,1,0,0|3,0,0]=4 6389 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,0,0,1,0,0|3,0,0]=4 6390 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,0,0,1,0,0|3,0,0]=4 6391 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,0,0,1,0,0|3,0,0]=4 6392 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,0,0,1,0,0|3,0,0]=4 6393 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,0,0,1,0,0|3,0,0]=4 6394 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,0,0,1,0,0|3,0,0]=4 6395 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,0,0,1,0,0|3,0,0]=4 6396 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [0,0,0,1,0,0|3,0,0]=4 6397 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [0,0,0,1,0,0|3,0,0]=4 6398 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [0,0,0,1,0,0|3,0,0]=4 6399 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [0,0,0,1,0,0|3,0,0]=4 6400 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [0,0,0,1,0,0|3,0,0]=4 6401 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [0,0,0,1,0,0|3,0,0]=4 6402 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [0,0,0,1,0,0|3,0,0]=4 6403 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [0,0,0,1,0,0|3,0,0]=4 6404 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,0,0,1,0,0|3,0,0]=4 6405 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,0,0,1,0,0|3,0,0]=4 6406 B11R1.214 CCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210211 [0,0,0,1,0,0|2,0,1]=4 6407 B11R1.214 CCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210211 [0,0,0,1,0,0|2,0,1]=4 6408 B11R1.218 C#CCCN1CC1C(=O)OC 2230a_200009830135_100000688953 [0,0,0,1,0,0|1,0,2]=4 6409 B11R1.218 C=CCCN1CC1C(=O)OC 2230a_200009830135_100000754431 [0,0,0,1,0,0|1,0,2]=4 6410 B11R1.218 CC#CCN1CC1C(=O)OC 2230a_200009830135_100000748600 [0,0,0,1,0,0|1,0,2]=4 6411 B11R1.218 CC=CCN1CC1C(=O)OC 2230a_200009830135_100000070051 [0,0,0,1,0,0|1,0,2]=4 6412 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [0,0,0,1,0,0|1,0,0]=2 6413 B11R1.218 COC(=O)C1CN1CCC#N 2230a_200009830135_100011215226 [0,0,0,1,0,0|2,0,1]=4 6414 B11R1.218 COC(=O)C1CN1CCCF 2230a_200009830135_100011934791 [0,0,0,1,0,0|2,0,0]=3 6415 B11R1.218 COC(=O)C1CN1CCCO 2230a_200009830135_100000230001 [0,0,0,1,0,0|2,0,0]=3 6416 B11R1.218 COC(=O)C1CN1CCSC 2230a_200009830135_100000751147 [0,0,0,1,0,0|2,0,0]=3 6417 B11R1.218 COCCN1CC1C(=O)OC 2230a_200009830135_100011201679 [0,0,0,1,0,0|2,0,0]=3 6418 B11R1.222 C=CC(=O)N1CCCCC1C 1626a_100000211376_100000185746 [0,0,0,1,0,0|2,0,1]=4 6419 B11R1.222 C=CC(=O)N1CCCCC1C 240690a_100000211376_200121576911 [0,0,0,1,0,0|2,0,1]=4 6420 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,0,0,1,0,0|2,0,0]=3 6421 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,0,0,1,0,0|3,0,0]=4 6422 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,0,0,1,0,0|3,0,0]=4 6423 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,0,0,1,0,0|2,0,1]=4 6424 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,0,0,1,0,0|1,0,0]=2 6425 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,0,0,1,0,0|2,0,0]=3 6426 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,0,0,1,0,0|2,0,0]=3 6427 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,0,0,1,0,0|2,0,0]=3 6428 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,0,0,1,0,0|2,0,0]=3 6429 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,0,0,1,0,0|2,0,0]=3 6430 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210414 [0,0,0,1,0,0|3,0,0]=4 6431 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210414 [0,0,0,1,0,0|3,0,0]=4 6432 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210414 [0,0,0,1,0,0|3,0,0]=4 6433 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,0,0,1,0,0|2,0,0]=3 6434 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [0,0,0,1,0,0|3,0,0]=4 6435 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,0,0,1,0,0|1,0,0]=2 6436 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 6437 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 6438 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 6439 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 6440 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 6441 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 6442 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 6443 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 6444 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 6445 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [0,0,0,1,0,0|2,0,0]=3 6446 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [0,0,0,1,0,0|2,0,0]=3 6447 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 2708a_100102657272_100009815349 [0,0,0,1,0,0|3,0,0]=4 6448 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 273464a_100102657272_100009815349 [0,0,0,1,0,0|3,0,0]=4 6449 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [0,0,0,1,0,0|2,0,0]=3 6450 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 6451 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 6452 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 6453 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,0,0,1,0,0|1,0,0]=2 6454 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,0,0,1,0,0|1,0,0]=2 6455 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,0,0,1,0,0|1,0,0]=2 6456 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,0,0,1,0,0|1,0,0]=2 6457 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,0,0,1,0,0|1,0,0]=2 6458 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,0,0,1,0,0|1,0,0]=2 6459 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [0,0,0,1,0,0|2,0,0]=3 6460 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [0,0,0,1,0,0|2,0,0]=3 6461 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [0,0,0,1,0,0|2,0,0]=3 6462 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [0,0,0,1,0,0|2,0,0]=3 6463 B11R1.222 COC(C)N1CCCCC1C 269982a_100000211376_100009879195 [0,0,0,1,0,0|2,0,1]=4 6464 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,0,0,1,0,0|3,0,0]=4 6465 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,0,0,1,0,0|2,0,1]=4 6466 B11R1.223 CNC(=O)CCN1CCC1C 269982a_100000755817_100000737683 [0,0,0,1,0,0|2,0,0]=3 6467 B11R1.223 CNC(=O)CCN1CCC1C 34a_100000755817_100012179268 [0,0,0,1,0,0|2,0,0]=3 6468 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [0,0,0,1,0,0|1,0,0]=2 6469 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [0,0,0,1,0,0|1,0,0]=2 6470 B11R1.223 COC(=O)CSC1CCC1=O 62a_100000747449_100009892977 [0,0,0,1,0,0|2,0,1]=4 6471 B11R1.223 COC(=O)CSC1CCC1=O 62a_100009892977_100000747449 [0,0,0,1,0,0|2,0,1]=4 6472 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,0,0,1,0,0|2,0,0]=3 6473 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,0,0,1,0,0|2,0,0]=3 6474 B11R1.228 CCC(=O)CN1CCSC1C 269982a_200011216479_100000747405 [0,0,0,1,0,0|3,0,0]=4 6475 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [0,0,0,1,0,0|3,0,0]=4 6476 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [0,0,0,1,0,0|3,0,0]=4 6477 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [0,0,0,1,0,0|2,0,0]=3 6478 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [0,0,0,1,0,0|2,0,0]=3 6479 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 6480 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 6481 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 6482 B11R1.228 CNC(=O)CN1CCSC1C 2230a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 6483 B11R1.228 CNC(=O)CN1CCSC1C 269982a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 6484 B11R1.228 CNC(=O)CN1CCSC1C 34a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 6485 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100102657272_100000748460 [0,0,0,1,0,0|3,0,0]=4 6486 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100102657272 [0,0,0,1,0,0|3,0,0]=4 6487 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100102657272_100000748460 [0,0,0,1,0,0|3,0,0]=4 6488 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [0,0,0,1,0,0|1,0,0]=2 6489 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [0,0,0,1,0,0|1,0,0]=2 6490 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [0,0,0,1,0,0|1,0,0]=2 6491 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [0,0,0,1,0,0|1,0,0]=2 6492 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [0,0,0,1,0,0|1,0,0]=2 6493 B11R1.228 COC(=O)CN1CCSC1C 2230a_200011216479_100000747449 [0,0,0,1,0,0|2,0,0]=3 6494 B11R1.228 COC(=O)CN1CCSC1C 269982a_200011216479_100000747449 [0,0,0,1,0,0|2,0,0]=3 6495 B11R1.228 COC(=O)CN1CCSC1C 34a_200011216479_100000747449 [0,0,0,1,0,0|2,0,0]=3 6496 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [0,0,0,1,0,0|1,0,0]=2 6497 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [0,0,0,1,0,0|1,0,0]=2 6498 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [0,0,0,1,0,0|1,0,0]=2 6499 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [0,0,0,1,0,0|1,0,0]=2 6500 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [0,0,0,1,0,0|1,0,0]=2 6501 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [0,0,0,1,0,0|1,0,0]=2 6502 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,0,0,1,0,0|2,0,0]=3 6503 B11R1.235 CNC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000737683 [0,0,0,1,0,0|3,0,0]=4 6504 B11R1.235 CNC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000737683 [0,0,0,1,0,0|3,0,0]=4 6505 B11R1.235 CNC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100012179268 [0,0,0,1,0,0|3,0,0]=4 6506 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [0,0,0,1,0,0|2,0,0]=3 6507 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [0,0,0,1,0,0|2,0,0]=3 6508 B11R1.235 COC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204255 [0,0,0,1,0,0|2,0,0]=3 6509 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204255 [0,0,0,1,0,0|2,0,0]=3 6510 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000742370 [0,0,0,1,0,0|2,0,0]=3 6511 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,0,0,1,0,0|1,0,0]=2 6512 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,0,0,1,0,0|1,0,0]=2 6513 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,0,0,1,0,0|2,0,0]=3 6514 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [0,0,0,1,0,0|3,0,0]=4 6515 B11R1.236 CCC(=O)COCC1COC1 34a_100000725409_100010264016 [0,0,0,1,0,0|3,0,0]=4 6516 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,0,0,1,0,0|2,0,0]=3 6517 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,0,0,1,0,0|2,0,0]=3 6518 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000103362_100000747405 [0,0,0,1,0,0|3,0,0]=4 6519 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000747405_100000103362 [0,0,0,1,0,0|3,0,0]=4 6520 B11R1.236 CCC(=O)CSCC1COC1 62a_100000747405_100010264016 [0,0,0,1,0,0|3,0,0]=4 6521 B11R1.236 CCC(=O)CSCC1COC1 62a_100010264016_100000747405 [0,0,0,1,0,0|3,0,0]=4 6522 B11R1.236 CCC(=O)NCCN1CCC1 240690a_100000691440_100000210414 [0,0,0,1,0,0|3,0,0]=4 6523 B11R1.236 CCC(=O)NNCC1CCC1 22a_200020586977_100000210414 [0,0,0,1,0,0|3,0,0]=4 6524 B11R1.236 CNC(=O)CCCN1CCC1 269982a_100000754969_100000741757 [0,0,0,1,0,0|2,0,0]=3 6525 B11R1.236 CNC(=O)CCNC1CCC1 2230a_100000749019_100000737683 [0,0,0,1,0,0|2,0,0]=3 6526 B11R1.236 CNC(=O)CCNC1CCC1 270004a_100000738227_100000241760 [0,0,0,1,0,0|2,0,0]=3 6527 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000738227_100000749161 [0,0,0,1,0,0|2,0,0]=3 6528 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000749019_100012179268 [0,0,0,1,0,0|2,0,0]=3 6529 B11R1.236 CNC(=O)CCNC1COC1 2230a_100016991112_100000737683 [0,0,0,1,0,0|3,0,0]=4 6530 B11R1.236 CNC(=O)CCNC1COC1 34a_100000738227_100009818527 [0,0,0,1,0,0|3,0,0]=4 6531 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000748187_100012179268 [0,0,0,1,0,0|2,0,0]=3 6532 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000754576_100000749161 [0,0,0,1,0,0|2,0,0]=3 6533 B11R1.236 CNC(=O)CCOC1COC1 34a_100000754576_100009818527 [0,0,0,1,0,0|3,0,0]=4 6534 B11R1.236 CNC(=O)CCOC1CSC1 7a_100000072292_100000737683 [0,0,0,1,0,0|3,0,0]=4 6535 B11R1.236 CNC(=O)CCSC1CCC1 62a_100000737683_100000749161 [0,0,0,1,0,0|2,0,0]=3 6536 B11R1.236 CNC(=O)CCSC1COC1 62a_100000737683_100009818527 [0,0,0,1,0,0|3,0,0]=4 6537 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000693194_100000763275 [0,0,0,1,0,0|2,0,0]=3 6538 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000738700_100000183359 [0,0,0,1,0,0|2,0,0]=3 6539 B11R1.236 CNC(=O)CNCC1CCC1 269862a_100000693194_100000753134 [0,0,0,1,0,0|2,0,0]=3 6540 B11R1.236 CNC(=O)CNCC1CCC1 34a_100000738700_100000183359 [0,0,0,1,0,0|2,0,0]=3 6541 B11R1.236 CNC(=O)CNCC1CCO1 2230a_100000693194_100000103362 [0,0,0,1,0,0|3,0,0]=4 6542 B11R1.236 CNC(=O)CNCC1COC1 2230a_100000693194_100010264016 [0,0,0,1,0,0|3,0,0]=4 6543 B11R1.236 CNC(=O)CNCC1COC1 2230a_100015281925_100000183359 [0,0,0,1,0,0|3,0,0]=4 6544 B11R1.236 CNC(=O)CNCC1COC1 34a_100015281925_100000183359 [0,0,0,1,0,0|3,0,0]=4 6545 B11R1.236 CNC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000183359 [0,0,0,1,0,0|3,0,0]=4 6546 B11R1.236 CNC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000183359 [0,0,0,1,0,0|3,0,0]=4 6547 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [0,0,0,1,0,0|2,0,0]=3 6548 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [0,0,0,1,0,0|2,0,0]=3 6549 B11R1.236 CNC(=O)COCC1CCO1 34a_100000039022_100000183359 [0,0,0,1,0,0|3,0,0]=4 6550 B11R1.236 CNC(=O)COCC1CCO1 34a_100000750040_100000103362 [0,0,0,1,0,0|3,0,0]=4 6551 B11R1.236 CNC(=O)COCC1CNC1 34a_100016987283_100000183359 [0,0,0,1,0,0|3,0,0]=4 6552 B11R1.236 CNC(=O)COCC1COC1 34a_100000060846_100000183359 [0,0,0,1,0,0|3,0,0]=4 6553 B11R1.236 CNC(=O)COCC1COC1 34a_100000750040_100010264016 [0,0,0,1,0,0|3,0,0]=4 6554 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000183359_100000763275 [0,0,0,1,0,0|2,0,0]=3 6555 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000763275_100000183359 [0,0,0,1,0,0|2,0,0]=3 6556 B11R1.236 CNC(=O)CSCC1CCO1 62a_100000103362_100000183359 [0,0,0,1,0,0|3,0,0]=4 6557 B11R1.236 CNC(=O)CSCC1CCO1 62a_100000183359_100000103362 [0,0,0,1,0,0|3,0,0]=4 6558 B11R1.236 CNC(=O)CSCC1COC1 62a_100000183359_100010264016 [0,0,0,1,0,0|3,0,0]=4 6559 B11R1.236 CNC(=O)CSCC1COC1 62a_100010264016_100000183359 [0,0,0,1,0,0|3,0,0]=4 6560 B11R1.236 CNC(=O)NCCN1CCC1 2708a_100000691440_106832991635 [0,0,0,1,0,0|3,0,0]=4 6561 B11R1.236 CNC(=O)NCCN1CCC1 2708a_100102657272_100000691440 [0,0,0,1,0,0|3,0,0]=4 6562 B11R1.236 CNC(=O)NCCN1CCC1 273464a_100000691440_100102657272 [0,0,0,1,0,0|3,0,0]=4 6563 B11R1.236 CNC(=O)NCCN1CCC1 273464a_100102657272_100000691440 [0,0,0,1,0,0|3,0,0]=4 6564 B11R1.236 CNC(=O)NCCN1CCC1 512a_106832991638_100000691440 [0,0,0,1,0,0|3,0,0]=4 6565 B11R1.236 CNC(=O)NNCC1CCC1 273464a_100102657272_200020586977 [0,0,0,1,0,0|3,0,0]=4 6566 B11R1.236 CNC(=O)NNCC1CCC1 512a_106832991638_200020586977 [0,0,0,1,0,0|3,0,0]=4 6567 B11R1.236 CNC(=O)NNCC1CCC1 512a_200020586977_100102657272 [0,0,0,1,0,0|3,0,0]=4 6568 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,0,0,1,0,0|3,0,0]=4 6569 B11R1.236 COC(=O)/C=C/CN1CCC1 269982a_100000754969_100000742655 [0,0,0,1,0,0|1,0,2]=4 6570 B11R1.236 COC(=O)C=NNC1CCC1 4a_100000736358_200011823558 [0,0,0,1,0,0|2,0,1]=4 6571 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [0,0,0,1,0,0|1,0,0]=2 6572 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [0,0,0,1,0,0|1,0,0]=2 6573 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [0,0,0,1,0,0|1,0,0]=2 6574 B11R1.236 COC(=O)CCNC1COC1 2230a_100016991112_100000204255 [0,0,0,1,0,0|2,0,0]=3 6575 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [0,0,0,1,0,0|1,0,0]=2 6576 B11R1.236 COC(=O)CCOC1CSC1 7a_100000072292_100000204255 [0,0,0,1,0,0|2,0,0]=3 6577 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [0,0,0,1,0,0|1,0,0]=2 6578 B11R1.236 COC(=O)CCSC1COC1 62a_100000204255_100009818527 [0,0,0,1,0,0|2,0,0]=3 6579 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [0,0,0,1,0,0|1,0,0]=2 6580 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [0,0,0,1,0,0|1,0,0]=2 6581 B11R1.236 COC(=O)CNCC1COC1 2230a_100015281925_100000747449 [0,0,0,1,0,0|2,0,0]=3 6582 B11R1.236 COC(=O)CNCC1COC1 34a_100015281925_100000747449 [0,0,0,1,0,0|2,0,0]=3 6583 B11R1.236 COC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747449 [0,0,0,1,0,0|2,0,0]=3 6584 B11R1.236 COC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000747449 [0,0,0,1,0,0|2,0,0]=3 6585 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [0,0,0,1,0,0|1,0,0]=2 6586 B11R1.236 COC(=O)COCC1CCO1 34a_100000039022_100000747449 [0,0,0,1,0,0|2,0,0]=3 6587 B11R1.236 COC(=O)COCC1CNC1 34a_100016987283_100000747449 [0,0,0,1,0,0|2,0,0]=3 6588 B11R1.236 COC(=O)COCC1COC1 34a_100000060846_100000747449 [0,0,0,1,0,0|2,0,0]=3 6589 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [0,0,0,1,0,0|1,0,0]=2 6590 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [0,0,0,1,0,0|1,0,0]=2 6591 B11R1.236 COC(=O)CSCC1CCO1 62a_100000103362_100000747449 [0,0,0,1,0,0|2,0,0]=3 6592 B11R1.236 COC(=O)CSCC1CCO1 62a_100000747449_100000103362 [0,0,0,1,0,0|2,0,0]=3 6593 B11R1.236 COC(=O)CSCC1COC1 62a_100000747449_100010264016 [0,0,0,1,0,0|2,0,0]=3 6594 B11R1.236 COC(=O)CSCC1COC1 62a_100010264016_100000747449 [0,0,0,1,0,0|2,0,0]=3 6595 B11R1.236 COC(C)COCC1CCC1 34a_100000690652_100000763275 [0,0,0,1,0,0|2,0,1]=4 6596 B11R1.236 CO[C@H](C)CNCC1CCC1 2230a_100020591295_100000763275 [0,0,0,1,0,0|2,0,1]=4 6597 B11R1.236 CO[C@H](C)CNCC1CCC1 269862a_100020591295_100000753134 [0,0,0,1,0,0|2,0,1]=4 6598 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,0,0,1,0,0|2,0,0]=3 6599 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,0,0,1,0,0|2,0,0]=3 6600 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,0,0,1,0,0|3,0,0]=4 6601 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,0,0,1,0,0|2,0,0]=3 6602 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,0,0,1,0,0|2,0,0]=3 6603 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [0,0,0,1,0,0|3,0,0]=4 6604 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [0,0,0,1,0,0|3,0,0]=4 6605 B11R1.237 CCC(=O)NCCNC1CC1 34a_100132302217_100000211595 [0,0,0,1,0,0|3,0,0]=4 6606 B11R1.237 CCC(=O)NCCOC1CC1 34a_200000158885_100000211595 [0,0,0,1,0,0|3,0,0]=4 6607 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000212008_100000741757 [0,0,0,1,0,0|2,0,0]=3 6608 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000740002_100000211595 [0,0,0,1,0,0|2,0,0]=3 6609 B11R1.237 CNC(=O)CCCSC1CC1 62a_100000741757_100000211595 [0,0,0,1,0,0|2,0,0]=3 6610 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000735609_100000737683 [0,0,0,1,0,0|2,0,0]=3 6611 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000738227_100000742324 [0,0,0,1,0,0|2,0,0]=3 6612 B11R1.237 CNC(=O)CCNCC1CC1 269862a_100000738227_100000741477 [0,0,0,1,0,0|2,0,0]=3 6613 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000735609_100012179268 [0,0,0,1,0,0|2,0,0]=3 6614 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000738227_100000742324 [0,0,0,1,0,0|2,0,0]=3 6615 B11R1.237 CNC(=O)CCNCC1CO1 2230a_100000738227_100011216344 [0,0,0,1,0,0|3,0,0]=4 6616 B11R1.237 CNC(=O)CCNCC1CO1 34a_100000738227_102125554688 [0,0,0,1,0,0|3,0,0]=4 6617 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [0,0,0,1,0,0|2,0,0]=3 6618 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [0,0,0,1,0,0|2,0,0]=3 6619 B11R1.237 CNC(=O)CCOCC1CO1 34a_100000754576_102125554688 [0,0,0,1,0,0|3,0,0]=4 6620 B11R1.237 CNC(=O)CCOC[C@@H]1CO1 34a_100000757423_100012179268 [0,0,0,1,0,0|3,0,0]=4 6621 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000737683_100000742324 [0,0,0,1,0,0|2,0,0]=3 6622 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000756562_100000737683 [0,0,0,1,0,0|2,0,0]=3 6623 B11R1.237 CNC(=O)CCSCC1CO1 62a_100000737683_102125554688 [0,0,0,1,0,0|3,0,0]=4 6624 B11R1.237 CNC(=O)CCSCC1CO1 62a_102125554688_100000737683 [0,0,0,1,0,0|3,0,0]=4 6625 B11R1.237 CNC(=O)CCSCC1CS1 62a_100000031435_100000737683 [0,0,0,1,0,0|3,0,0]=4 6626 B11R1.237 CNC(=O)CCSCC1CS1 62a_100000737683_100000031435 [0,0,0,1,0,0|3,0,0]=4 6627 B11R1.237 CNC(=O)CCSC[C@@H]1CO1 62a_100000737683_100000745022 [0,0,0,1,0,0|3,0,0]=4 6628 B11R1.237 CNC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000737683 [0,0,0,1,0,0|3,0,0]=4 6629 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [0,0,0,1,0,0|2,0,0]=3 6630 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [0,0,0,1,0,0|2,0,0]=3 6631 B11R1.237 CNC(=O)CNCCC1CO1 2230a_100000693194_100000732470 [0,0,0,1,0,0|3,0,0]=4 6632 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [0,0,0,1,0,0|2,0,0]=3 6633 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [0,0,0,1,0,0|2,0,0]=3 6634 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [0,0,0,1,0,0|2,0,0]=3 6635 B11R1.237 CNC(=O)COCCC1CO1 34a_100000750040_100000732470 [0,0,0,1,0,0|3,0,0]=4 6636 B11R1.237 CNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183359 [0,0,0,1,0,0|3,0,0]=4 6637 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [0,0,0,1,0,0|2,0,0]=3 6638 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [0,0,0,1,0,0|2,0,0]=3 6639 B11R1.237 CNC(=O)CSCCC1CO1 62a_100000183359_100000732470 [0,0,0,1,0,0|3,0,0]=4 6640 B11R1.237 CNC(=O)CSCCC1CO1 62a_100000732470_100000183359 [0,0,0,1,0,0|3,0,0]=4 6641 B11R1.237 CNC(=O)NCCNC1CC1 34a_100015205895_100000211595 [0,0,0,1,0,0|3,0,0]=4 6642 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,0,0,1,0,0|3,0,0]=4 6643 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,0,0,1,0,0|3,0,0]=4 6644 B11R1.237 COC(=O)/C=C/CNC1CC1 34a_100000212008_100000742655 [0,0,0,1,0,0|1,0,2]=4 6645 B11R1.237 COC(=O)/C=C/CSC1CC1 62a_100000742655_100000211595 [0,0,0,1,0,0|1,0,2]=4 6646 B11R1.237 COC(=O)C=NNCC1CC1 4a_100000736359_200011823558 [0,0,0,1,0,0|2,0,1]=4 6647 B11R1.237 COC(=O)CC=NNC1CC1 4a_100000701032_200011552997 [0,0,0,1,0,0|2,0,1]=4 6648 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [0,0,0,1,0,0|1,0,0]=2 6649 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [0,0,0,1,0,0|1,0,0]=2 6650 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [0,0,0,1,0,0|1,0,0]=2 6651 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [0,0,0,1,0,0|1,0,0]=2 6652 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [0,0,0,1,0,0|1,0,0]=2 6653 B11R1.237 COC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000742370 [0,0,0,1,0,0|2,0,0]=3 6654 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [0,0,0,1,0,0|1,0,0]=2 6655 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [0,0,0,1,0,0|1,0,0]=2 6656 B11R1.237 COC(=O)CCSCC1CO1 62a_100000204255_102125554688 [0,0,0,1,0,0|2,0,0]=3 6657 B11R1.237 COC(=O)CCSCC1CO1 62a_102125554688_100000204255 [0,0,0,1,0,0|2,0,0]=3 6658 B11R1.237 COC(=O)CCSCC1CS1 62a_100000031435_100000204255 [0,0,0,1,0,0|2,0,0]=3 6659 B11R1.237 COC(=O)CCSCC1CS1 62a_100000204255_100000031435 [0,0,0,1,0,0|2,0,0]=3 6660 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000204255_100000745022 [0,0,0,1,0,0|2,0,0]=3 6661 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000204255 [0,0,0,1,0,0|2,0,0]=3 6662 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [0,0,0,1,0,0|1,0,0]=2 6663 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,0,0,1,0,0|1,0,0]=2 6664 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,0,0,1,0,0|1,0,0]=2 6665 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [0,0,0,1,0,0|2,0,0]=3 6666 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [0,0,0,1,0,0|1,0,0]=2 6667 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [0,0,0,1,0,0|1,0,0]=2 6668 B11R1.237 COC(=O)CSCCC1CO1 62a_100000732470_100000747449 [0,0,0,1,0,0|2,0,0]=3 6669 B11R1.237 COC(=O)CSCCC1CO1 62a_100000747449_100000732470 [0,0,0,1,0,0|2,0,0]=3 6670 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [0,0,0,1,0,0|2,0,0]=3 6671 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,0,0,1,0,0|2,0,0]=3 6672 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [0,0,0,1,0,0|2,0,0]=3 6673 B11R1.237 COC(=O)OCSCC1CO1 62a_102125554688_100000139417 [0,0,0,1,0,0|3,0,0]=4 6674 B11R1.237 COC(=O)OCSCC1CS1 62a_100000031435_100000139417 [0,0,0,1,0,0|3,0,0]=4 6675 B11R1.237 COC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000139417 [0,0,0,1,0,0|3,0,0]=4 6676 B11R1.237 COC(C)CCOCC1CC1 7a_100000764861_100000742324 [0,0,0,1,0,0|2,0,1]=4 6677 B11R1.237 COC(C)COCCC1CC1 34a_100000690652_100000694398 [0,0,0,1,0,0|2,0,1]=4 6678 B11R1.237 CO[C@H](C)CNCCC1CC1 2230a_100020591295_100000694398 [0,0,0,1,0,0|2,0,1]=4 6679 B11R1.237 NNC(=O)CCCOC1CC1 34a_100000211488_100000211595 [0,0,0,1,0,0|3,0,0]=4 6680 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,0,0,1,0,0|3,0,0]=4 6681 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,0,0,1,0,0|3,0,0]=4 6682 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,0,0,1,0,0|3,0,0]=4 6683 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,0,0,1,0,0|2,0,1]=4 6684 B11R1.320 CCCCCOCC1(CO1)C 34a_100000210253_100000760498 [0,0,0,1,0,0|2,0,1]=4 6685 B11R1.320 CCCCCSCC1(CO1)C 62a_100000210326_100000760498 [0,0,0,1,0,0|2,0,1]=4 6686 B11R1.320 CCCCCSCC1(CO1)C 62a_100000760498_100000210326 [0,0,0,1,0,0|2,0,1]=4 6687 B11R1.759 CCCCCN1CC(C1)OC 269982a_100000755009_100000210215 [0,0,0,1,0,0|2,0,1]=4 6688 B11R1.759 CCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210211 [0,0,0,1,0,0|2,0,1]=4 6689 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,0,0,1,0,0|1,0,1]=3 6690 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,0,0,1,0,0|1,0,1]=3 6691 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,0,0,1,0,0|2,0,1]=4 6692 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,0,0,1,0,0|2,0,1]=4 6693 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [0,0,0,1,0,0|1,0,2]=4 6694 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,0,0,1,0,0|1,0,0]=2 6695 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,0,0,1,0,0|1,0,0]=2 6696 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,0,0,1,0,0|2,0,0]=3 6697 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,0,0,1,0,0|2,0,0]=3 6698 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,0,0,1,0,0|2,0,0]=3 6699 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,0,0,1,0,0|2,0,0]=3 6700 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [0,0,0,1,0,0|3,0,0]=4 6701 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [0,0,0,1,0,0|3,0,0]=4 6702 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [0,0,0,1,0,0|3,0,0]=4 6703 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [0,0,0,1,0,0|3,0,0]=4 6704 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,0,0,1,0,0|3,0,0]=4 6705 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,0,0,1,0,0|3,0,0]=4 6706 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,0,0,1,0,0|3,0,0]=4 6707 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,0,0,1,0,0|3,0,0]=4 6708 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,0,0,1,0,0|3,0,0]=4 6709 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,0,0,1,0,0|3,0,0]=4 6710 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,0,0,1,0,0|3,0,0]=4 6711 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,0,0,1,0,0|3,0,0]=4 6712 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,0,0,1,0,0|3,0,0]=4 6713 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,0,0,1,0,0|3,0,0]=4 6714 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [0,0,0,1,0,0|1,0,2]=4 6715 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 6716 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 6717 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 6718 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,0,0,1,0,0|1,0,0]=2 6719 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 6720 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 6721 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 6722 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,0,0,1,0,0|2,0,0]=3 6723 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,0,0,1,0,0|2,0,0]=3 6724 B11R1.852 CNC(=O)N1CCCOCC1 2708a_100102657272_100000685342 [0,0,0,1,0,0|3,0,0]=4 6725 B11R1.852 CNC(=O)N1CCCOCC1 273464a_100102657272_100000685342 [0,0,0,1,0,0|3,0,0]=4 6726 B11R1.852 COC(C)N1CCCCCC1 269982a_100000185865_100009879195 [0,0,0,1,0,0|2,0,1]=4 6727 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,0,0,1,0,0|2,0,0]=3 6728 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,0,0,1,0,0|2,0,0]=3 6729 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,0,0,1,0,0|3,0,0]=4 6730 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,0,0,1,0,0|3,0,0]=4 6731 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [2,0,0,0,0,0|0,0,2]=4 6732 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [2,0,0,0,0,0|0,0,2]=4 6733 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [2,0,0,0,0,0|0,0,2]=4 6734 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [2,0,0,0,0,0|0,0,2]=4 6735 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [2,0,0,0,0,0|0,0,2]=4 6736 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|1,0,1]=4 6737 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|1,0,1]=4 6738 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 6739 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|1,0,1]=4 6740 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 6741 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|1,0,1]=4 6742 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|1,0,1]=4 6743 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 6744 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,1]=4 6745 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 6746 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|0,0,2]=4 6747 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|0,0,2]=4 6748 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|0,0,2]=4 6749 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|0,0,2]=4 6750 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|0,0,2]=4 6751 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,1]=4 6752 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,1]=4 6753 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,1]=4 6754 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,1]=4 6755 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 6756 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,1]=4 6757 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 6758 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 6759 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,1]=4 6760 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 6761 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,1]=4 6762 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,1]=4 6763 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 6764 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 6765 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,1]=4 6766 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 6767 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 6768 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,1]=4 6769 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,1]=4 6770 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,1]=4 6771 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,1]=4 6772 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,1]=4 6773 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 6774 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,1]=4 6775 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 6776 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,1]=4 6777 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,1]=4 6778 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 6779 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 6780 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 6781 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 6782 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 6783 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 6784 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 6785 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|0,0,2]=4 6786 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|0,0,2]=4 6787 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|0,0,2]=4 6788 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|0,0,2]=4 6789 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|1,0,1]=4 6790 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|1,0,1]=4 6791 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|1,0,1]=4 6792 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 6793 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 6794 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|1,0,1]=4 6795 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|1,0,1]=4 6796 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [2,0,0,0,0,0|2,0,0]=4 6797 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [2,0,0,0,0,0|0,0,2]=4 6798 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [2,0,0,0,0,0|0,0,2]=4 6799 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [2,0,0,0,0,0|0,0,2]=4 6800 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [2,0,0,0,0,0|0,0,2]=4 6801 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [2,0,0,0,0,0|0,0,2]=4 6802 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [2,0,0,0,0,0|0,0,2]=4 6803 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [2,0,0,0,0,0|0,0,2]=4 6804 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [2,0,0,0,0,0|0,0,2]=4 6805 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [2,0,0,0,0,0|0,0,2]=4 6806 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [2,0,0,0,0,0|0,0,2]=4 6807 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [2,0,0,0,0,0|0,0,2]=4 6808 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [2,0,0,0,0,0|0,0,2]=4 6809 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,0]=3 6810 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,0]=3 6811 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,0]=3 6812 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,0]=3 6813 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,0]=3 6814 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|0,0,0]=2 6815 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|0,0,0]=2 6816 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|0,0,0]=2 6817 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|0,0,0]=2 6818 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|0,0,0]=2 6819 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|0,1,0]=3 6820 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|0,1,0]=3 6821 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|0,1,0]=3 6822 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|0,1,0]=3 6823 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 6824 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 6825 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 6826 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,1]=4 6827 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 6828 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,1]=4 6829 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,1]=4 6830 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,0]=3 6831 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,1]=4 6832 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,1]=4 6833 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,1]=4 6834 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,1]=4 6835 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|1,0,0]=3 6836 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|1,1,0]=4 6837 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,0]=3 6838 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,0]=3 6839 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 6840 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,1]=4 6841 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 6842 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 6843 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 6844 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|1,1,0]=4 6845 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,0]=3 6846 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,0]=3 6847 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,1]=4 6848 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,1]=4 6849 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,1]=4 6850 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,1]=4 6851 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|1,0,0]=3 6852 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|1,0,0]=3 6853 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|1,1,0]=4 6854 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|1,1,0]=4 6855 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 6856 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 6857 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|1,0,1]=4 6858 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|1,0,1]=4 6859 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [2,0,0,0,0,0|1,0,0]=3 6860 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [2,0,0,0,0,0|1,0,0]=3 6861 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [2,0,0,0,0,0|1,0,0]=3 6862 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [2,0,0,0,0,0|1,1,0]=4 6863 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [2,0,0,0,0,0|1,1,0]=4 6864 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [2,0,0,0,0,0|1,1,0]=4 6865 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,1]=4 6866 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,1]=4 6867 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,1]=4 6868 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,1]=4 6869 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 6870 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|2,0,0]=4 6871 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 6872 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|1,0,0]=3 6873 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|1,0,0]=3 6874 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|1,0,0]=3 6875 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|1,0,0]=3 6876 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|1,0,0]=3 6877 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|1,0,0]=3 6878 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [2,0,0,0,0,0|2,0,0]=4 6879 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|1,0,0]=3 6880 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|1,0,0]=3 6881 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|1,1,0]=4 6882 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|1,1,0]=4 6883 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|1,1,0]=4 6884 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|1,1,0]=4 6885 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|1,1,0]=4 6886 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|1,1,0]=4 6887 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|1,1,0]=4 6888 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|1,1,0]=4 6889 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,1]=4 6890 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|1,0,1]=4 6891 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|1,0,1]=4 6892 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [2,0,0,0,0,0|2,0,0]=4 6893 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [2,0,0,0,0,0|2,0,0]=4 6894 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [2,0,0,0,0,0|1,0,0]=3 6895 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [2,0,0,0,0,0|1,0,0]=3 6896 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [2,0,0,0,0,0|1,0,0]=3 6897 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [2,0,0,0,0,0|1,0,0]=3 6898 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [2,0,0,0,0,0|1,0,0]=3 6899 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [2,0,0,0,0,0|1,0,0]=3 6900 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [2,0,0,0,0,0|1,1,0]=4 6901 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [2,0,0,0,0,0|1,1,0]=4 6902 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 6903 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 6904 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|1,0,0]=3 6905 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|1,1,0]=4 6906 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,1]=4 6907 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 6908 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 6909 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 6910 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 6911 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 6912 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|1,0,0]=3 6913 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|1,0,0]=3 6914 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|1,1,0]=4 6915 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|1,1,0]=4 6916 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,0]=3 6917 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,0]=3 6918 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,1]=4 6919 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,1]=4 6920 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|1,0,0]=3 6921 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|1,0,0]=3 6922 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,0]=3 6923 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 6924 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,1]=4 6925 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 6926 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [2,0,0,0,0,0|1,0,0]=3 6927 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [2,0,0,0,0,0|2,0,0]=4 6928 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,1]=4 6929 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|1,0,0]=3 6930 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|1,0,0]=3 6931 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|1,1,0]=4 6932 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|1,1,0]=4 6933 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [2,0,0,0,0,0|2,0,0]=4 6934 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [2,0,0,0,0,0|2,0,0]=4 6935 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [2,0,0,0,0,0|2,0,0]=4 6936 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [2,0,0,0,0,0|2,0,0]=4 6937 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [2,0,0,0,0,0|2,0,0]=4 6938 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [2,0,0,0,0,0|2,0,0]=4 6939 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [2,0,0,0,0,0|2,0,0]=4 6940 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [2,0,0,0,0,0|2,0,0]=4 6941 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [2,0,0,0,0,0|2,0,0]=4 6942 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [2,0,0,0,0,0|2,0,0]=4 6943 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [2,0,0,0,0,0|2,0,0]=4 6944 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,0]=3 6945 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,0]=3 6946 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,1]=4 6947 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 6948 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [2,0,0,0,0,0|1,0,0]=3 6949 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [2,0,0,0,0,0|1,0,0]=3 6950 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [2,0,0,0,0,0|2,0,0]=4 6951 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [2,0,0,0,0,0|2,0,0]=4 6952 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [2,0,0,0,0,0|2,0,0]=4 6953 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [2,0,0,0,0,0|2,0,0]=4 6954 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [2,0,0,0,0,0|2,0,0]=4 6955 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [2,0,0,0,0,0|2,0,0]=4 6956 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [2,0,0,0,0,0|2,0,0]=4 6957 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [2,0,0,0,0,0|2,0,0]=4 6958 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [2,0,0,0,0,0|2,0,0]=4 6959 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [2,0,0,0,0,0|2,0,0]=4 6960 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 6961 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 6962 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 6963 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 6964 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 6965 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 6966 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,1]=4 6967 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 6968 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,1]=4 6969 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,1]=4 6970 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|1,0,0]=3 6971 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|1,0,0]=3 6972 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|1,0,0]=3 6973 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|1,0,0]=3 6974 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [2,0,0,0,0,0|2,0,0]=4 6975 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [2,0,0,0,0,0|2,0,0]=4 6976 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [2,0,0,0,0,0|2,0,0]=4 6977 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [2,0,0,0,0,0|2,0,0]=4 6978 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [2,0,0,0,0,0|2,0,0]=4 6979 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [2,0,0,0,0,0|2,0,0]=4 6980 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [2,0,0,0,0,0|2,0,0]=4 6981 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [2,0,0,0,0,0|2,0,0]=4 6982 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|1,0,0]=3 6983 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|1,0,0]=3 6984 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 6985 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 6986 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|1,0,0]=3 6987 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|1,0,0]=3 6988 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|1,0,0]=3 6989 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 6990 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,0]=3 6991 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|1,0,0]=3 6992 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|1,0,0]=3 6993 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [2,0,0,0,0,0|2,0,0]=4 6994 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [2,0,0,0,0,0|2,0,0]=4 6995 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [2,0,0,0,0,0|2,0,0]=4 6996 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [2,0,0,0,0,0|2,0,0]=4 6997 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [2,0,0,0,0,0|2,0,0]=4 6998 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [2,0,0,0,0,0|2,0,0]=4 6999 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [2,0,0,0,0,0|2,0,0]=4 7000 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [2,0,0,0,0,0|2,0,0]=4 7001 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [2,0,0,0,0,0|2,0,0]=4 7002 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [2,0,0,0,0,0|2,0,0]=4 7003 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [2,0,0,0,0,0|2,0,0]=4 7004 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [2,0,0,0,0,0|2,0,0]=4 7005 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [2,0,0,0,0,0|2,0,0]=4 7006 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [2,0,0,0,0,0|2,0,0]=4 7007 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 7008 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [2,0,0,0,0,0|2,0,0]=4 7009 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [2,0,0,0,0,0|2,0,0]=4 7010 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [2,0,0,0,0,0|2,0,0]=4 7011 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [2,0,0,0,0,0|2,0,0]=4 7012 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [2,0,0,0,0,0|2,0,0]=4 7013 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [2,0,0,0,0,0|2,0,0]=4 7014 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [2,0,0,0,0,0|2,0,0]=4 7015 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [2,0,0,0,0,0|2,0,0]=4 7016 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [2,0,0,0,0,0|2,0,0]=4 7017 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [2,0,0,0,0,0|2,0,0]=4 7018 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [2,0,0,0,0,0|2,0,0]=4 7019 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [2,0,0,0,0,0|2,0,0]=4 7020 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [2,0,0,0,0,0|2,0,0]=4 7021 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [2,0,0,0,0,0|2,0,0]=4 7022 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [2,0,0,0,0,0|2,0,0]=4 7023 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [2,0,0,0,0,0|2,0,0]=4 7024 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [2,0,0,0,0,0|2,0,0]=4 7025 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [2,0,0,0,0,0|2,0,0]=4 7026 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [2,0,0,0,0,0|2,0,0]=4 7027 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [2,0,0,0,0,0|2,0,0]=4 7028 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [2,0,0,0,0,0|2,0,0]=4 7029 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [2,0,0,0,0,0|2,0,0]=4 7030 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [2,0,0,0,0,0|2,0,0]=4 7031 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [2,0,0,0,0,0|2,0,0]=4 7032 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [2,0,0,0,0,0|2,0,0]=4 7033 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [2,0,0,0,0,0|2,0,0]=4 7034 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [2,0,0,0,0,0|2,0,0]=4 7035 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [2,0,0,0,0,0|2,0,0]=4 7036 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [2,0,0,0,0,0|2,0,0]=4 7037 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [2,0,0,0,0,0|2,0,0]=4 7038 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [2,0,0,0,0,0|2,0,0]=4 7039 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [2,0,0,0,0,0|2,0,0]=4 7040 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [2,0,0,0,0,0|2,0,0]=4 7041 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [2,0,0,0,0,0|2,0,0]=4 7042 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [2,0,0,0,0,0|2,0,0]=4 7043 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [2,0,0,0,0,0|2,0,0]=4 7044 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [2,0,0,0,0,0|2,0,0]=4 7045 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [2,0,0,0,0,0|2,0,0]=4 7046 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [2,0,0,0,0,0|2,0,0]=4 7047 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [2,0,0,0,0,0|2,0,0]=4 7048 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [2,0,0,0,0,0|2,0,0]=4 7049 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [2,0,0,0,0,0|2,0,0]=4 7050 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [2,0,0,0,0,0|2,0,0]=4 7051 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [2,0,0,0,0,0|2,0,0]=4 7052 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [2,0,0,0,0,0|2,0,0]=4 7053 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [2,0,0,0,0,0|2,0,0]=4 7054 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [2,0,0,0,0,0|2,0,0]=4 7055 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [2,0,0,0,0,0|2,0,0]=4 7056 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [2,0,0,0,0,0|2,0,0]=4 7057 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [2,0,0,0,0,0|2,0,0]=4 7058 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [2,0,0,0,0,0|2,0,0]=4 7059 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [2,0,0,0,0,0|2,0,0]=4 7060 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [2,0,0,0,0,0|2,0,0]=4 7061 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [2,0,0,0,0,0|2,0,0]=4 7062 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,0]=3 7063 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,0]=3 7064 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|1,1,0]=4 7065 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|1,1,0]=4 7066 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,1]=4 7067 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,1]=4 7068 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [2,0,0,0,0,0|2,0,0]=4 7069 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [2,0,0,0,0,0|2,0,0]=4 7070 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [2,0,0,0,0,0|2,0,0]=4 7071 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [2,0,0,0,0,0|2,0,0]=4 7072 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [2,0,0,0,0,0|2,0,0]=4 7073 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 7074 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [2,0,0,0,0,0|2,0,0]=4 7075 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [2,0,0,0,0,0|2,0,0]=4 7076 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|2,0,0]=4 7077 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [2,0,0,0,0,0|2,0,0]=4 7078 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [2,0,0,0,0,0|2,0,0]=4 7079 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|2,0,0]=4 7080 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|2,0,0]=4 7081 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [2,0,0,0,0,0|2,0,0]=4 7082 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 7083 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [2,0,0,0,0,0|2,0,0]=4 7084 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [2,0,0,0,0,0|2,0,0]=4 7085 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 7086 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [2,0,0,0,0,0|2,0,0]=4 7087 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [2,0,0,0,0,0|2,0,0]=4 7088 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [2,0,0,0,0,0|2,0,0]=4 7089 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [2,0,0,0,0,0|2,0,0]=4 7090 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [2,0,0,0,0,0|2,0,0]=4 7091 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 7092 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [2,0,0,0,0,0|2,0,0]=4 7093 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 7094 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 7095 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|1,0,0]=3 7096 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|1,0,0]=3 7097 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 7098 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 7099 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|1,0,0]=3 7100 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|1,0,0]=3 7101 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 7102 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,0]=3 7103 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,0]=3 7104 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|1,1,0]=4 7105 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|1,1,0]=4 7106 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,1]=4 7107 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,1]=4 7108 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [2,0,0,0,0,0|0,0,2]=4 7109 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [2,0,0,0,0,0|0,0,2]=4 7110 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [2,0,0,0,0,0|0,0,2]=4 7111 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,0,0,0,0,0|2,0,0]=4 7112 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,0,0,0,0,0|2,0,0]=4 7113 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [2,0,0,0,0,0|2,0,0]=4 7114 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [2,0,0,0,0,0|2,0,0]=4 7115 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [2,0,0,0,0,0|2,0,0]=4 7116 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [2,0,0,0,0,0|2,0,0]=4 7117 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 7118 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [2,0,0,0,0,0|2,0,0]=4 7119 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 7120 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [2,0,0,0,0,0|2,0,0]=4 7121 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [2,0,0,0,0,0|2,0,0]=4 7122 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|0,0,2]=4 7123 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|0,0,2]=4 7124 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|0,0,2]=4 7125 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [2,0,0,0,0,0|1,0,1]=4 7126 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|1,0,0]=3 7127 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,0]=3 7128 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,0]=3 7129 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|1,0,0]=3 7130 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|1,0,0]=3 7131 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 7132 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 7133 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [2,0,0,0,0,0|2,0,0]=4 7134 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [2,0,0,0,0,0|2,0,0]=4 7135 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 7136 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 7137 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|2,0,0]=4 7138 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|2,0,0]=4 7139 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 7140 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 7141 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [2,0,0,0,0,0|2,0,0]=4 7142 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [2,0,0,0,0,0|2,0,0]=4 7143 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|2,0,0]=4 7144 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|2,0,0]=4 7145 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [2,0,0,0,0,0|2,0,0]=4 7146 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [2,0,0,0,0,0|2,0,0]=4 7147 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 7148 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 7149 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 7150 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [2,0,0,0,0,0|2,0,0]=4 7151 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|2,0,0]=4 7152 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|2,0,0]=4 7153 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [2,0,0,0,0,0|2,0,0]=4 7154 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [2,0,0,0,0,0|2,0,0]=4 7155 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|0,0,2]=4 7156 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|0,0,2]=4 7157 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|0,0,2]=4 7158 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|0,0,2]=4 7159 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|0,0,2]=4 7160 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,0]=2 7161 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,0]=2 7162 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,0]=2 7163 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|2,0,0]=4 7164 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 7165 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|2,0,0]=4 7166 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 7167 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 7168 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 7169 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 7170 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 7171 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 7172 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,0]=3 7173 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 7174 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 7175 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 7176 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|1,0,0]=3 7177 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [2,0,0,0,0,0|2,0,0]=4 7178 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|1,0,0]=3 7179 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|1,0,0]=3 7180 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|1,0,0]=3 7181 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 7182 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 7183 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|1,0,0]=3 7184 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|1,0,1]=4 7185 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|1,0,0]=3 7186 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 7187 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 7188 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|1,0,0]=3 7189 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|1,0,1]=4 7190 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|1,0,1]=4 7191 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [2,0,0,0,0,0|2,0,0]=4 7192 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,0]=3 7193 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 7194 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 7195 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 7196 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 7197 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 7198 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|2,0,0]=4 7199 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,0]=3 7200 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,0]=3 7201 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 7202 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 7203 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|2,0,0]=4 7204 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|2,0,0]=4 7205 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 7206 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [2,0,0,0,0,0|2,0,0]=4 7207 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 7208 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 7209 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,0]=3 7210 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 7211 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,0]=3 7212 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 7213 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 7214 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 7215 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 7216 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 7217 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 7218 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 7219 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|2,0,0]=4 7220 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [2,0,0,0,0,0|2,0,0]=4 7221 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|1,0,0]=3 7222 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|1,0,0]=3 7223 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 7224 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 7225 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 7226 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 7227 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 7228 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 7229 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 7230 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 7231 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|2,0,0]=4 7232 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|2,0,0]=4 7233 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,0]=3 7234 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,0]=3 7235 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|2,0,0]=4 7236 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 7237 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|2,0,0]=4 7238 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|2,0,0]=4 7239 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 7240 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|2,0,0]=4 7241 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 7242 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [2,0,0,0,0,0|2,0,0]=4 7243 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|1,0,0]=3 7244 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|1,0,0]=3 7245 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 7246 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 7247 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 7248 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 7249 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [2,0,0,0,0,0|2,0,0]=4 7250 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [2,0,0,0,0,0|2,0,0]=4 7251 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|2,0,0]=4 7252 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [2,0,0,0,0,0|2,0,0]=4 7253 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [2,0,0,0,0,0|2,0,0]=4 7254 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [2,0,0,0,0,0|2,0,0]=4 7255 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [2,0,0,0,0,0|2,0,0]=4 7256 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [2,0,0,0,0,0|2,0,0]=4 7257 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [2,0,0,0,0,0|2,0,0]=4 7258 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [2,0,0,0,0,0|2,0,0]=4 7259 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|1,0,0]=3 7260 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|1,0,0]=3 7261 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 7262 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 7263 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 7264 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [2,0,0,0,0,0|2,0,0]=4 7265 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|2,0,0]=4 7266 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|2,0,0]=4 7267 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [2,0,0,0,0,0|2,0,0]=4 7268 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [2,0,0,0,0,0|2,0,0]=4 7269 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [2,0,0,0,0,0|2,0,0]=4 7270 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [2,0,0,0,0,0|2,0,0]=4 7271 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [2,0,0,0,0,0|2,0,0]=4 7272 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [2,0,0,0,0,0|2,0,0]=4 7273 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [2,0,0,0,0,0|2,0,0]=4 7274 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [2,0,0,0,0,0|2,0,0]=4 7275 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|2,0,0]=4 7276 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,0]=3 7277 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|2,0,0]=4 7278 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|2,0,0]=4 7279 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [2,0,0,0,0,0|2,0,0]=4 7280 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 7281 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 7282 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|1,0,1]=4 7283 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|1,0,1]=4 7284 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|2,0,0]=4 7285 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|2,0,0]=4 7286 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|2,0,0]=4 7287 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|2,0,0]=4 7288 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|2,0,0]=4 7289 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|2,0,0]=4 7290 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|1,0,0]=3 7291 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|1,0,0]=3 7292 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|2,0,0]=4 7293 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|2,0,0]=4 7294 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 7295 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 7296 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 7297 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 7298 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 7299 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|1,0,1]=4 7300 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 7301 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 7302 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 7303 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|2,0,0]=4 7304 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|2,0,0]=4 7305 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|2,0,0]=4 7306 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|2,0,0]=4 7307 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 7308 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 7309 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 7310 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 7311 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 7312 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 7313 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 7314 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|2,0,0]=4 7315 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|2,0,0]=4 7316 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 7317 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 7318 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 7319 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 7320 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 7321 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 7322 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|1,0,0]=3 7323 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|2,0,0]=4 7324 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|2,0,0]=4 7325 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|2,0,0]=4 7326 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 7327 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 7328 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 7329 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 7330 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 7331 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 7332 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|1,0,0]=3 7333 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|1,0,0]=3 7334 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 7335 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 7336 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 7337 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|1,0,0]=3 7338 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|2,0,0]=4 7339 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|2,0,0]=4 7340 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 7341 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 7342 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 7343 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 7344 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 7345 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 7346 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|1,0,0]=3 7347 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|2,0,0]=4 7348 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|2,0,0]=4 7349 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 7350 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 7351 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 7352 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 7353 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 7354 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 7355 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|1,0,0]=3 7356 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|1,0,0]=3 7357 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 7358 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 7359 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 7360 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 7361 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 7362 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 7363 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 7364 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 7365 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 7366 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 7367 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 7368 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 7369 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 7370 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 7371 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 7372 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 7373 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 7374 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 7375 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 7376 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 7377 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 7378 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 7379 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 7380 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|1,0,0]=3 7381 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 7382 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|1,0,0]=3 7383 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|1,0,0]=3 7384 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|1,0,0]=3 7385 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|1,0,0]=3 7386 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [2,0,0,0,0,0|2,0,0]=4 7387 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [2,0,0,0,0,0|2,0,0]=4 7388 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [2,0,0,0,0,0|2,0,0]=4 7389 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [2,0,0,0,0,0|2,0,0]=4 7390 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [2,0,0,0,0,0|2,0,0]=4 7391 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 7392 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [2,0,0,0,0,0|2,0,0]=4 7393 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [2,0,0,0,0,0|2,0,0]=4 7394 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [2,0,0,0,0,0|2,0,0]=4 7395 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 7396 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [2,0,0,0,0,0|2,0,0]=4 7397 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [2,0,0,0,0,0|2,0,0]=4 7398 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [2,0,0,0,0,0|2,0,0]=4 7399 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [2,0,0,0,0,0|2,0,0]=4 7400 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 7401 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|1,0,0]=3 7402 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [2,0,0,0,0,0|2,0,0]=4 7403 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 7404 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [2,0,0,0,0,0|2,0,0]=4 7405 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [2,0,0,0,0,0|2,0,0]=4 7406 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [1,1,0,0,0,0|2,0,0]=4 7407 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [1,1,0,0,0,0|2,0,0]=4 7408 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [1,1,0,0,0,0|2,0,0]=4 7409 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [1,1,0,0,0,0|2,0,0]=4 7410 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [1,1,0,0,0,0|2,0,0]=4 7411 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [1,1,0,0,0,0|2,0,0]=4 7412 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [1,1,0,0,0,0|2,0,0]=4 7413 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [1,1,0,0,0,0|2,0,0]=4 7414 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [1,1,0,0,0,0|2,0,0]=4 7415 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [1,1,0,0,0,0|2,0,0]=4 7416 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [1,1,0,0,0,0|2,0,0]=4 7417 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [1,1,0,0,0,0|2,0,0]=4 7418 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [1,1,0,0,0,0|1,0,1]=4 7419 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [1,1,0,0,0,0|2,0,0]=4 7420 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [1,1,0,0,0,0|2,0,0]=4 7421 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [1,1,0,0,0,0|2,0,0]=4 7422 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [1,1,0,0,0,0|2,0,0]=4 7423 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [1,1,0,0,0,0|2,0,0]=4 7424 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|0,0,1]=3 7425 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [1,1,0,0,0,0|1,0,1]=4 7426 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [1,1,0,0,0,0|1,0,1]=4 7427 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [1,1,0,0,0,0|1,0,1]=4 7428 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [1,1,0,0,0,0|1,0,1]=4 7429 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [1,1,0,0,0,0|1,0,1]=4 7430 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [1,1,0,0,0,0|1,0,1]=4 7431 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [1,1,0,0,0,0|2,0,0]=4 7432 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [1,1,0,0,0,0|1,0,0]=3 7433 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,1,0,0,0,0|1,0,0]=3 7434 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [1,1,0,0,0,0|2,0,0]=4 7435 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [1,1,0,0,0,0|2,0,0]=4 7436 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [1,1,0,0,0,0|1,0,1]=4 7437 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [1,1,0,0,0,0|2,0,0]=4 7438 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [1,1,0,0,0,0|2,0,0]=4 7439 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [1,1,0,0,0,0|1,0,1]=4 7440 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [1,1,0,0,0,0|1,0,1]=4 7441 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [1,1,0,0,0,0|2,0,0]=4 7442 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [1,1,0,0,0,0|2,0,0]=4 7443 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [1,1,0,0,0,0|1,0,0]=3 7444 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [1,1,0,0,0,0|1,0,0]=3 7445 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [1,1,0,0,0,0|1,0,0]=3 7446 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [1,1,0,0,0,0|2,0,0]=4 7447 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [1,1,0,0,0,0|2,0,0]=4 7448 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [1,1,0,0,0,0|2,0,0]=4 7449 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [1,1,0,0,0,0|2,0,0]=4 7450 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [1,1,0,0,0,0|2,0,0]=4 7451 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [1,1,0,0,0,0|1,0,0]=3 7452 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [1,1,0,0,0,0|1,0,0]=3 7453 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [1,1,0,0,0,0|2,0,0]=4 7454 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [1,1,0,0,0,0|2,0,0]=4 7455 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [1,1,0,0,0,0|2,0,0]=4 7456 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [1,1,0,0,0,0|2,0,0]=4 7457 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [1,1,0,0,0,0|1,0,0]=3 7458 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [1,1,0,0,0,0|2,0,0]=4 7459 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [1,1,0,0,0,0|1,0,0]=3 7460 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [1,1,0,0,0,0|2,0,0]=4 7461 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [1,1,0,0,0,0|2,0,0]=4 7462 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [1,1,0,0,0,0|2,0,0]=4 7463 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [1,1,0,0,0,0|2,0,0]=4 7464 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [1,1,0,0,0,0|1,0,1]=4 7465 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|1,0,1]=4 7466 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|1,0,1]=4 7467 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|1,0,1]=4 7468 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|1,0,1]=4 7469 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|1,0,1]=4 7470 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [1,1,0,0,0,0|1,0,1]=4 7471 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [1,1,0,0,0,0|2,0,0]=4 7472 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [1,1,0,0,0,0|2,0,0]=4 7473 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [1,1,0,0,0,0|1,0,1]=4 7474 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [1,1,0,0,0,0|2,0,0]=4 7475 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [1,1,0,0,0,0|2,0,0]=4 7476 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [1,1,0,0,0,0|2,0,0]=4 7477 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [1,1,0,0,0,0|2,0,0]=4 7478 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [1,1,0,0,0,0|2,0,0]=4 7479 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [1,1,0,0,0,0|2,0,0]=4 7480 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [1,1,0,0,0,0|2,0,0]=4 7481 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [1,1,0,0,0,0|1,0,1]=4 7482 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [1,1,0,0,0,0|2,0,0]=4 7483 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,1,0,0,0,0|0,0,1]=3 7484 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,1,0,0,0,0|0,0,1]=3 7485 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,1,0,0,0,0|0,0,1]=3 7486 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [1,1,0,0,0,0|0,0,2]=4 7487 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [1,1,0,0,0,0|0,0,2]=4 7488 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [1,1,0,0,0,0|0,0,2]=4 7489 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [1,1,0,0,0,0|0,0,2]=4 7490 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [1,1,0,0,0,0|0,0,2]=4 7491 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [1,1,0,0,0,0|0,0,2]=4 7492 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [1,1,0,0,0,0|0,0,2]=4 7493 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [1,1,0,0,0,0|0,0,2]=4 7494 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [1,1,0,0,0,0|0,0,2]=4 7495 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [1,1,0,0,0,0|0,0,2]=4 7496 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [1,1,0,0,0,0|0,0,2]=4 7497 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [1,1,0,0,0,0|0,0,2]=4 7498 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [1,1,0,0,0,0|0,0,2]=4 7499 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [1,1,0,0,0,0|0,0,2]=4 7500 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [1,1,0,0,0,0|0,0,2]=4 7501 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [1,1,0,0,0,0|0,0,2]=4 7502 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [1,1,0,0,0,0|0,0,2]=4 7503 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [1,1,0,0,0,0|0,0,2]=4 7504 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [1,1,0,0,0,0|0,0,2]=4 7505 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [1,1,0,0,0,0|0,0,2]=4 7506 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [1,1,0,0,0,0|0,0,2]=4 7507 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,1,0,0,0,0|1,0,1]=4 7508 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|1,0,0]=3 7509 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [1,1,0,0,0,0|2,0,0]=4 7510 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [1,1,0,0,0,0|2,0,0]=4 7511 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [1,1,0,0,0,0|2,0,0]=4 7512 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [1,1,0,0,0,0|2,0,0]=4 7513 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [1,1,0,0,0,0|2,0,0]=4 7514 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [1,1,0,0,0,0|2,0,0]=4 7515 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [1,1,0,0,0,0|2,0,0]=4 7516 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [1,1,0,0,0,0|2,0,0]=4 7517 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|1,0,0]=3 7518 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|1,0,0]=3 7519 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|1,0,0]=3 7520 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [1,1,0,0,0,0|2,0,0]=4 7521 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [1,1,0,0,0,0|2,0,0]=4 7522 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [1,1,0,0,0,0|2,0,0]=4 7523 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [1,1,0,0,0,0|2,0,0]=4 7524 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [1,1,0,0,0,0|2,0,0]=4 7525 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [1,1,0,0,0,0|2,0,0]=4 7526 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [1,1,0,0,0,0|2,0,0]=4 7527 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [1,1,0,0,0,0|2,0,0]=4 7528 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [1,1,0,0,0,0|2,0,0]=4 7529 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [1,1,0,0,0,0|2,0,0]=4 7530 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [1,1,0,0,0,0|2,0,0]=4 7531 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [1,1,0,0,0,0|2,0,0]=4 7532 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [1,1,0,0,0,0|2,0,0]=4 7533 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [1,1,0,0,0,0|2,0,0]=4 7534 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [1,1,0,0,0,0|2,0,0]=4 7535 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [1,1,0,0,0,0|2,0,0]=4 7536 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [1,1,0,0,0,0|2,0,0]=4 7537 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [1,1,0,0,0,0|2,0,0]=4 7538 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [1,1,0,0,0,0|2,0,0]=4 7539 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|1,0,0]=3 7540 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|1,0,0]=3 7541 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [1,1,0,0,0,0|2,0,0]=4 7542 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [1,1,0,0,0,0|2,0,0]=4 7543 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [1,1,0,0,0,0|2,0,0]=4 7544 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [1,1,0,0,0,0|2,0,0]=4 7545 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [1,1,0,0,0,0|2,0,0]=4 7546 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [1,1,0,0,0,0|2,0,0]=4 7547 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [1,1,0,0,0,0|2,0,0]=4 7548 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [1,1,0,0,0,0|2,0,0]=4 7549 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [1,1,0,0,0,0|2,0,0]=4 7550 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [1,1,0,0,0,0|2,0,0]=4 7551 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|1,0,0]=3 7552 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [1,1,0,0,0,0|2,0,0]=4 7553 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [1,1,0,0,0,0|2,0,0]=4 7554 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [1,1,0,0,0,0|2,0,0]=4 7555 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [1,1,0,0,0,0|2,0,0]=4 7556 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [1,1,0,0,0,0|2,0,0]=4 7557 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [1,1,0,0,0,0|2,0,0]=4 7558 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [1,1,0,0,0,0|2,0,0]=4 7559 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [1,1,0,0,0,0|2,0,0]=4 7560 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [1,1,0,0,0,0|2,0,0]=4 7561 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|1,0,0]=3 7562 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|1,0,0]=3 7563 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|1,0,0]=3 7564 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [1,1,0,0,0,0|2,0,0]=4 7565 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [1,1,0,0,0,0|2,0,0]=4 7566 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [1,1,0,0,0,0|2,0,0]=4 7567 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [1,1,0,0,0,0|2,0,0]=4 7568 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [1,1,0,0,0,0|2,0,0]=4 7569 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [1,1,0,0,0,0|2,0,0]=4 7570 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,1,0,0,0,0|2,0,0]=4 7571 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [1,1,0,0,0,0|2,0,0]=4 7572 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [1,1,0,0,0,0|2,0,0]=4 7573 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [1,1,0,0,0,0|2,0,0]=4 7574 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [1,1,0,0,0,0|2,0,0]=4 7575 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [1,1,0,0,0,0|2,0,0]=4 7576 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [1,1,0,0,0,0|2,0,0]=4 7577 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [1,1,0,0,0,0|2,0,0]=4 7578 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [1,1,0,0,0,0|2,0,0]=4 7579 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [1,1,0,0,0,0|2,0,0]=4 7580 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [1,1,0,0,0,0|2,0,0]=4 7581 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [1,1,0,0,0,0|2,0,0]=4 7582 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [1,1,0,0,0,0|2,0,0]=4 7583 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [1,1,0,0,0,0|2,0,0]=4 7584 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [1,1,0,0,0,0|2,0,0]=4 7585 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [1,1,0,0,0,0|2,0,0]=4 7586 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|1,0,0]=3 7587 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|1,0,0]=3 7588 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [1,1,0,0,0,0|2,0,0]=4 7589 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [1,1,0,0,0,0|2,0,0]=4 7590 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [1,1,0,0,0,0|2,0,0]=4 7591 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [1,1,0,0,0,0|2,0,0]=4 7592 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [1,1,0,0,0,0|2,0,0]=4 7593 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [1,1,0,0,0,0|2,0,0]=4 7594 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [1,1,0,0,0,0|2,0,0]=4 7595 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [1,1,0,0,0,0|2,0,0]=4 7596 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [1,1,0,0,0,0|2,0,0]=4 7597 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [1,1,0,0,0,0|2,0,0]=4 7598 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [1,1,0,0,0,0|2,0,0]=4 7599 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [1,1,0,0,0,0|2,0,0]=4 7600 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,1,0,0,0,0|1,0,1]=4 7601 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,1,0,0,0,0|1,0,1]=4 7602 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,1,0,0,0,0|1,0,1]=4 7603 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,1,0,0,0,0|1,0,1]=4 7604 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,1,0,0,0,0|1,0,1]=4 7605 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,1,0,0,0,0|1,0,1]=4 7606 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,1,0,0,0,0|0,0,1]=3 7607 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,1,0,0,0,0|0,0,1]=3 7608 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,1,0,0,0,0|0,0,1]=3 7609 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,1,0,0,0,0|0,0,2]=4 7610 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [1,1,0,0,0,0|0,0,2]=4 7611 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [1,1,0,0,0,0|0,0,2]=4 7612 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [1,1,0,0,0,0|0,0,2]=4 7613 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [1,1,0,0,0,0|0,0,2]=4 7614 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [1,1,0,0,0,0|0,0,2]=4 7615 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [1,1,0,0,0,0|0,0,2]=4 7616 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [1,1,0,0,0,0|0,0,2]=4 7617 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [1,1,0,0,0,0|0,0,2]=4 7618 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [1,1,0,0,0,0|0,0,2]=4 7619 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [1,1,0,0,0,0|0,0,2]=4 7620 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [1,1,0,0,0,0|0,0,2]=4 7621 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [1,1,0,0,0,0|0,0,2]=4 7622 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [1,1,0,0,0,0|0,0,2]=4 7623 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [1,1,0,0,0,0|0,0,2]=4 7624 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [1,1,0,0,0,0|0,0,2]=4 7625 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [1,1,0,0,0,0|0,0,2]=4 7626 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [1,1,0,0,0,0|0,0,2]=4 7627 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [1,1,0,0,0,0|0,0,2]=4 7628 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [1,1,0,0,0,0|0,0,2]=4 7629 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [1,1,0,0,0,0|0,0,2]=4 7630 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,1,0,0,0,0|0,0,1]=3 7631 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|0,0,0]=2 7632 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|0,0,0]=2 7633 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [1,1,0,0,0,0|2,0,0]=4 7634 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,1,0,0,0,0|1,0,0]=3 7635 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|1,0,0]=3 7636 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,1,0,0,0,0|1,0,0]=3 7637 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,1,0,0,0,0|1,0,0]=3 7638 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [1,1,0,0,0,0|1,0,1]=4 7639 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [1,1,0,0,0,0|1,0,1]=4 7640 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,1,0,0,0,0|1,0,1]=4 7641 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,1,0,0,0,0|1,0,1]=4 7642 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,1,0,0,0,0|1,0,0]=3 7643 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,1,0,0,0,0|1,0,0]=3 7644 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|1,0,0]=3 7645 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|1,0,0]=3 7646 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,1,0,0,0,0|1,0,0]=3 7647 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [1,1,0,0,0,0|1,0,1]=4 7648 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,1,0,0,0,0|1,0,0]=3 7649 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,1,0,0,0,0|1,0,0]=3 7650 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,1,0,0,0,0|1,0,0]=3 7651 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,1,0,0,0,0|1,0,0]=3 7652 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,1,0,0,0,0|1,0,0]=3 7653 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,1,0,0,0,0|1,0,0]=3 7654 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|1,0,0]=3 7655 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|1,0,0]=3 7656 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [1,1,0,0,0,0|2,0,0]=4 7657 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [1,1,0,0,0,0|1,0,1]=4 7658 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [1,1,0,0,0,0|1,0,1]=4 7659 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,1,0,0,0,0|1,0,0]=3 7660 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,1,0,0,0,0|1,0,0]=3 7661 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|1,0,0]=3 7662 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|1,0,0]=3 7663 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [1,1,0,0,0,0|1,0,1]=4 7664 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,1,0,0,0,0|1,0,1]=4 7665 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,1,0,0,0,0|1,0,0]=3 7666 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,1,0,0,0,0|1,0,0]=3 7667 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,1,0,0,0,0|1,0,0]=3 7668 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,1,0,0,0,0|1,0,0]=3 7669 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|1,0,0]=3 7670 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|1,0,0]=3 7671 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [1,1,0,0,0,0|1,0,1]=4 7672 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [1,1,0,0,0,0|1,0,1]=4 7673 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,1,0,0,0,0|1,0,1]=4 7674 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,1,0,0,0,0|1,0,1]=4 7675 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,1,0,0,0,0|1,0,0]=3 7676 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,1,0,0,0,0|1,0,0]=3 7677 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|1,0,0]=3 7678 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|1,0,0]=3 7679 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,1,0,0,0,0|1,0,0]=3 7680 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|1,0,0]=3 7681 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [1,1,0,0,0,0|2,0,0]=4 7682 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [1,1,0,0,0,0|2,0,0]=4 7683 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 7684 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 7685 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 7686 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [1,1,0,0,0,0|1,0,1]=4 7687 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|1,0,0]=3 7688 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|1,0,0]=3 7689 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,1,0,0,0,0|1,0,0]=3 7690 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,1,0,0,0,0|1,0,0]=3 7691 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [1,1,0,0,0,0|2,0,0]=4 7692 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [1,1,0,0,0,0|2,0,0]=4 7693 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [1,1,0,0,0,0|2,0,0]=4 7694 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [1,1,0,0,0,0|2,0,0]=4 7695 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [1,1,0,0,0,0|2,0,0]=4 7696 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [1,1,0,0,0,0|2,0,0]=4 7697 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [1,1,0,0,0,0|2,0,0]=4 7698 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [1,1,0,0,0,0|2,0,0]=4 7699 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [1,1,0,0,0,0|2,0,0]=4 7700 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [1,1,0,0,0,0|2,0,0]=4 7701 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [1,1,0,0,0,0|2,0,0]=4 7702 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [1,1,0,0,0,0|2,0,0]=4 7703 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,1,0,0,0,0|2,0,0]=4 7704 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,1,0,0,0,0|2,0,0]=4 7705 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,1,0,0,0,0|1,0,0]=3 7706 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,1,0,0,0,0|1,0,0]=3 7707 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [1,1,0,0,0,0|2,0,0]=4 7708 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [1,1,0,0,0,0|2,0,0]=4 7709 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [1,1,0,0,0,0|2,0,0]=4 7710 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [1,1,0,0,0,0|2,0,0]=4 7711 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [1,1,0,0,0,0|2,0,0]=4 7712 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [1,1,0,0,0,0|2,0,0]=4 7713 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [1,1,0,0,0,0|2,0,0]=4 7714 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [1,1,0,0,0,0|2,0,0]=4 7715 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [1,1,0,0,0,0|2,0,0]=4 7716 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [1,1,0,0,0,0|2,0,0]=4 7717 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,1,0,0,0,0|2,0,0]=4 7718 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,1,0,0,0,0|2,0,0]=4 7719 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [1,1,0,0,0,0|2,0,0]=4 7720 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [1,1,0,0,0,0|2,0,0]=4 7721 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [1,1,0,0,0,0|2,0,0]=4 7722 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [1,1,0,0,0,0|2,0,0]=4 7723 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [1,1,0,0,0,0|2,0,0]=4 7724 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [1,1,0,0,0,0|2,0,0]=4 7725 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [1,1,0,0,0,0|2,0,0]=4 7726 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [1,1,0,0,0,0|2,0,0]=4 7727 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [1,1,0,0,0,0|2,0,0]=4 7728 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,1,0,0,0,0|2,0,0]=4 7729 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,1,0,0,0,0|2,0,0]=4 7730 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [1,1,0,0,0,0|2,0,0]=4 7731 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [1,1,0,0,0,0|2,0,0]=4 7732 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [1,1,0,0,0,0|2,0,0]=4 7733 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [1,1,0,0,0,0|2,0,0]=4 7734 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [1,1,0,0,0,0|2,0,0]=4 7735 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [1,1,0,0,0,0|2,0,0]=4 7736 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [1,1,0,0,0,0|2,0,0]=4 7737 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [1,1,0,0,0,0|2,0,0]=4 7738 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [1,1,0,0,0,0|2,0,0]=4 7739 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [1,1,0,0,0,0|2,0,0]=4 7740 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [1,1,0,0,0,0|2,0,0]=4 7741 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [1,1,0,0,0,0|2,0,0]=4 7742 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [1,1,0,0,0,0|2,0,0]=4 7743 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [1,1,0,0,0,0|2,0,0]=4 7744 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [1,1,0,0,0,0|2,0,0]=4 7745 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [1,1,0,0,0,0|2,0,0]=4 7746 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [1,1,0,0,0,0|2,0,0]=4 7747 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [1,1,0,0,0,0|2,0,0]=4 7748 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [1,1,0,0,0,0|2,0,0]=4 7749 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [1,1,0,0,0,0|2,0,0]=4 7750 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [1,1,0,0,0,0|2,0,0]=4 7751 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 7752 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 7753 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [1,1,0,0,0,0|0,0,2]=4 7754 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [1,1,0,0,0,0|0,0,2]=4 7755 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [1,1,0,0,0,0|0,0,2]=4 7756 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [1,1,0,0,0,0|0,0,2]=4 7757 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [1,1,0,0,0,0|0,0,2]=4 7758 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [1,1,0,0,0,0|0,0,2]=4 7759 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [1,1,0,0,0,0|0,0,2]=4 7760 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [1,1,0,0,0,0|0,0,2]=4 7761 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [1,1,0,0,0,0|0,0,2]=4 7762 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [1,1,0,0,0,0|0,0,2]=4 7763 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [1,1,0,0,0,0|0,0,2]=4 7764 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [1,1,0,0,0,0|0,0,2]=4 7765 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [1,1,0,0,0,0|0,0,2]=4 7766 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [1,1,0,0,0,0|0,0,2]=4 7767 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|0,0,1]=3 7768 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|0,0,1]=3 7769 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,1,0,0,0,0|0,0,1]=3 7770 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,1,0,0,0,0|1,0,1]=4 7771 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|0,0,1]=3 7772 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|0,0,1]=3 7773 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|0,0,0]=2 7774 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|0,0,0]=2 7775 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|0,0,0]=2 7776 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,1,0,0,0,0|2,0,0]=4 7777 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,1,0,0,0,0|2,0,0]=4 7778 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,1,0,0,0,0|2,0,0]=4 7779 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,1,0,0,0,0|2,0,0]=4 7780 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,1,0,0,0,0|2,0,0]=4 7781 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,1,0,0,0,0|2,0,0]=4 7782 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|0,0,0]=2 7783 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|0,0,0]=2 7784 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|0,0,0]=2 7785 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|0,0,0]=2 7786 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,1]=4 7787 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,1]=4 7788 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,1]=4 7789 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 7790 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,1]=4 7791 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 7792 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,1]=4 7793 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,1]=4 7794 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,1,0,0,0,0|1,0,0]=3 7795 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,1,0,0,0,0|1,0,0]=3 7796 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|0,0,0]=2 7797 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,1]=4 7798 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 7799 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,1]=4 7800 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 7801 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|0,0,2]=4 7802 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|0,0,2]=4 7803 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|0,0,2]=4 7804 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|0,0,2]=4 7805 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|0,0,0]=2 7806 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|1,0,0]=3 7807 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|1,0,0]=3 7808 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|0,0,1]=3 7809 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|1,0,1]=4 7810 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,1]=4 7811 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,1]=4 7812 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,1]=4 7813 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|1,0,1]=4 7814 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|0,0,2]=4 7815 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|0,0,2]=4 7816 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|1,0,1]=4 7817 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|1,0,1]=4 7818 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|0,0,2]=4 7819 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|0,0,2]=4 7820 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,1,0,0,0,0|1,0,1]=4 7821 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|1,0,0]=3 7822 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|1,0,0]=3 7823 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,1,0,0,0,0|0,0,1]=3 7824 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,1,0,0,0,0|0,0,1]=3 7825 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,1]=4 7826 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,1]=4 7827 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|0,0,2]=4 7828 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|0,0,2]=4 7829 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|0,0,2]=4 7830 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|0,0,2]=4 7831 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [1,1,0,0,0,0|1,0,1]=4 7832 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,1,0,0,0,0|1,0,1]=4 7833 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,1,0,0,0,0|1,0,1]=4 7834 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,1,0,0,0,0|1,0,0]=3 7835 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,1]=4 7836 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,1]=4 7837 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|0,0,2]=4 7838 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|0,0,2]=4 7839 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|1,0,0]=3 7840 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 7841 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,1,0,0,0,0|1,0,1]=4 7842 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 7843 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|0,0,0]=2 7844 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|0,0,0]=2 7845 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|0,0,0]=2 7846 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,1,0,0,0,0|1,0,0]=3 7847 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,1,0,0,0,0|1,0,0]=3 7848 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,1,0,0,0,0|1,0,0]=3 7849 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,1,0,0,0,0|1,0,0]=3 7850 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|1,0,1]=4 7851 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|1,0,1]=4 7852 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|1,0,1]=4 7853 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|1,0,1]=4 7854 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|1,0,1]=4 7855 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|0,0,2]=4 7856 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|0,0,2]=4 7857 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,1,0,0,0,0|2,0,0]=4 7858 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 7859 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,1,0,0,0,0|1,0,0]=3 7860 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,1,0,0,0,0|1,0,1]=4 7861 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,1,0,0,0,0|1,0,1]=4 7862 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|0,0,0]=2 7863 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|0,0,0]=2 7864 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,1,0,0,0,0|1,0,0]=3 7865 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,1,0,0,0,0|1,0,0]=3 7866 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|1,0,1]=4 7867 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|1,0,1]=4 7868 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|0,0,2]=4 7869 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|0,0,2]=4 7870 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [1,1,0,0,0,0|2,0,0]=4 7871 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,1,0,0,0,0|1,0,0]=3 7872 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,1,0,0,0,0|1,0,0]=3 7873 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,1,0,0,0,0|1,0,1]=4 7874 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,1,0,0,0,0|1,0,1]=4 7875 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|0,0,0]=2 7876 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,1,0,0,0,0|1,0,0]=3 7877 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,1,0,0,0,0|1,0,0]=3 7878 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,1]=4 7879 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,1]=4 7880 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,1]=4 7881 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,1]=4 7882 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|0,0,2]=4 7883 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|0,0,2]=4 7884 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [1,1,0,0,0,0|2,0,0]=4 7885 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,1,0,0,0,0|1,0,0]=3 7886 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,1,0,0,0,0|1,0,0]=3 7887 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,1,0,0,0,0|1,0,0]=3 7888 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,1,0,0,0,0|1,0,0]=3 7889 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,1,0,0,0,0|2,0,0]=4 7890 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,1,0,0,0,0|2,0,0]=4 7891 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,1,0,0,0,0|2,0,0]=4 7892 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,1,0,0,0,0|1,0,0]=3 7893 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,1,0,0,0,0|2,0,0]=4 7894 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,1,0,0,0,0|1,0,1]=4 7895 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,1,0,0,0,0|1,0,1]=4 7896 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|0,0,0]=2 7897 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|0,0,0]=2 7898 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|0,0,0]=2 7899 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|0,0,0]=2 7900 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,1,0,0,0,0|1,0,0]=3 7901 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,1,0,0,0,0|1,0,0]=3 7902 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|1,0,1]=4 7903 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|1,0,1]=4 7904 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|1,0,1]=4 7905 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|1,0,1]=4 7906 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|0,0,2]=4 7907 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|0,0,2]=4 7908 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,1,0,0,0,0|2,0,0]=4 7909 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,1,0,0,0,0|1,0,1]=4 7910 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,1,0,0,0,0|1,0,0]=3 7911 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,1,0,0,0,0|1,0,0]=3 7912 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,1,0,0,0,0|2,0,0]=4 7913 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,1,0,0,0,0|2,0,0]=4 7914 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,1,0,0,0,0|1,0,0]=3 7915 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,1,0,0,0,0|1,0,0]=3 7916 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,1,0,0,0,0|2,0,0]=4 7917 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,1,0,0,0,0|2,0,0]=4 7918 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,1,0,0,0,0|2,0,0]=4 7919 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,1,0,0,0,0|2,0,0]=4 7920 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,1,0,0,0,0|1,0,0]=3 7921 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,1,0,0,0,0|1,0,0]=3 7922 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,1,0,0,0,0|2,0,0]=4 7923 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,1,0,0,0,0|2,0,0]=4 7924 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,1,0,0,0,0|1,0,1]=4 7925 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,1,0,0,0,0|1,0,1]=4 7926 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,1,0,0,0,0|1,0,1]=4 7927 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,1,0,0,0,0|1,0,1]=4 7928 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|0,0,0]=2 7929 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|0,0,0]=2 7930 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,1,0,0,0,0|1,0,0]=3 7931 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,1,0,0,0,0|1,0,0]=3 7932 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|1,0,1]=4 7933 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|1,0,1]=4 7934 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|0,0,2]=4 7935 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|0,0,2]=4 7936 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [1,1,0,0,0,0|2,0,0]=4 7937 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 7938 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 7939 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 7940 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,1,0,0,0,0|1,0,0]=3 7941 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,1,0,0,0,0|1,0,0]=3 7942 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,1,0,0,0,0|1,0,0]=3 7943 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,1,0,0,0,0|2,0,0]=4 7944 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,1,0,0,0,0|2,0,0]=4 7945 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,1,0,0,0,0|1,0,0]=3 7946 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,1,0,0,0,0|1,0,0]=3 7947 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,1,0,0,0,0|2,0,0]=4 7948 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,1,0,0,0,0|2,0,0]=4 7949 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,1,0,0,0,0|1,0,0]=3 7950 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,1,0,0,0,0|1,0,0]=3 7951 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,1,0,0,0,0|1,0,0]=3 7952 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [1,1,0,0,0,0|1,0,1]=4 7953 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|0,0,0]=2 7954 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,1,0,0,0,0|1,0,0]=3 7955 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,1,0,0,0,0|1,0,0]=3 7956 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,1]=4 7957 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 7958 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 7959 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [1,1,0,0,0,0|1,0,1]=4 7960 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [1,1,0,0,0,0|1,0,1]=4 7961 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,1,0,0,0,0|1,0,0]=3 7962 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,1,0,0,0,0|1,0,0]=3 7963 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,1,0,0,0,0|1,0,0]=3 7964 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,1,0,0,0,0|1,0,0]=3 7965 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,1,0,0,0,0|1,0,0]=3 7966 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [1,1,0,0,0,0|1,1,0]=4 7967 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,1,0,0,0,0|1,0,0]=3 7968 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,1,0,0,0,0|2,0,0]=4 7969 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,1,0,0,0,0|2,0,0]=4 7970 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,1,0,0,0,0|2,0,0]=4 7971 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,1,0,0,0,0|1,0,0]=3 7972 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,1,0,0,0,0|1,0,1]=4 7973 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,1,0,0,0,0|1,0,0]=3 7974 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,1,0,0,0,0|2,0,0]=4 7975 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 7976 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 7977 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,1,0,0,0,0|1,0,1]=4 7978 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,1,0,0,0,0|2,0,0]=4 7979 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,1,0,0,0,0|2,0,0]=4 7980 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,1,0,0,0,0|1,0,1]=4 7981 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,1,0,0,0,0|1,0,1]=4 7982 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [1,1,0,0,0,0|1,0,1]=4 7983 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [1,1,0,0,0,0|1,0,1]=4 7984 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|0,0,0]=2 7985 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|0,0,0]=2 7986 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,1]=4 7987 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,1]=4 7988 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,1,0,0,0,0|2,0,0]=4 7989 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,1,0,0,0,0|1,0,0]=3 7990 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,1,0,0,0,0|1,0,0]=3 7991 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [1,1,0,0,0,0|1,1,0]=4 7992 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [1,1,0,0,0,0|1,1,0]=4 7993 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,1,0,0,0,0|1,0,0]=3 7994 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,1,0,0,0,0|1,0,0]=3 7995 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,1,0,0,0,0|2,0,0]=4 7996 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 7997 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,1,0,0,0,0|2,0,0]=4 7998 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,1,0,0,0,0|2,0,0]=4 7999 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 8000 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,1,0,0,0,0|1,0,1]=4 8001 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [1,1,0,0,0,0|1,0,1]=4 8002 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,1,0,0,0,0|1,0,0]=3 8003 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 8004 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,1]=4 8005 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 8006 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,1,0,0,0,0|1,0,0]=3 8007 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,1,0,0,0,0|1,0,0]=3 8008 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,1,0,0,0,0|1,0,0]=3 8009 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [1,1,0,0,0,0|1,0,1]=4 8010 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,1,0,0,0,0|1,0,0]=3 8011 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,1,0,0,0,0|1,0,0]=3 8012 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,1,0,0,0,0|1,0,0]=3 8013 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,1,0,0,0,0|0,0,1]=3 8014 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 8015 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,1]=4 8016 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 8017 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,1,0,0,0,0|1,0,0]=3 8018 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,1,0,0,0,0|1,0,0]=3 8019 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,1,0,0,0,0|1,0,0]=3 8020 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,1,0,0,0,0|1,0,0]=3 8021 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [1,1,0,0,0,0|2,0,0]=4 8022 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [1,1,0,0,0,0|2,0,0]=4 8023 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [1,1,0,0,0,0|2,0,0]=4 8024 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,1,0,0,0,0|1,0,0]=3 8025 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [1,1,0,0,0,0|1,0,1]=4 8026 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,1,0,0,0,0|1,0,0]=3 8027 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,1,0,0,0,0|2,0,0]=4 8028 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,1,0,0,0,0|2,0,0]=4 8029 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,1,0,0,0,0|1,0,1]=4 8030 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [1,1,0,0,0,0|2,0,0]=4 8031 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [1,1,0,0,0,0|2,0,0]=4 8032 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [1,1,0,0,0,0|1,0,1]=4 8033 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [1,1,0,0,0,0|1,0,1]=4 8034 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,1,0,0,0,0|2,0,0]=4 8035 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,1,0,0,0,0|2,0,0]=4 8036 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [1,1,0,0,0,0|2,0,0]=4 8037 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [1,1,0,0,0,0|2,0,0]=4 8038 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,1,0,0,0,0|1,0,0]=3 8039 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,1,0,0,0,0|1,0,0]=3 8040 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,1,0,0,0,0|1,0,0]=3 8041 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,1,0,0,0,0|1,0,0]=3 8042 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,1,0,0,0,0|2,0,0]=4 8043 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,1,0,0,0,0|2,0,0]=4 8044 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,1,0,0,0,0|2,0,0]=4 8045 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,1,0,0,0,0|2,0,0]=4 8046 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [1,1,0,0,0,0|2,0,0]=4 8047 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,1,0,0,0,0|1,0,0]=3 8048 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,1,0,0,0,0|1,0,0]=3 8049 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,1,0,0,0,0|2,0,0]=4 8050 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,1,0,0,0,0|2,0,0]=4 8051 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [1,1,0,0,0,0|2,0,0]=4 8052 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [1,1,0,0,0,0|2,0,0]=4 8053 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [1,1,0,0,0,0|2,0,0]=4 8054 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,1,0,0,0,0|1,0,0]=3 8055 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,1,0,0,0,0|1,0,0]=3 8056 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,1,0,0,0,0|2,0,0]=4 8057 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,1,0,0,0,0|2,0,0]=4 8058 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [1,1,0,0,0,0|2,0,0]=4 8059 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [1,1,0,0,0,0|2,0,0]=4 8060 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [1,1,0,0,0,0|2,0,0]=4 8061 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [1,1,0,0,0,0|2,0,0]=4 8062 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [1,1,0,0,0,0|1,0,1]=4 8063 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [1,1,0,0,0,0|1,0,1]=4 8064 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,1,0,0,0,0|1,0,0]=3 8065 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,1,0,0,0,0|1,0,0]=3 8066 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,1]=4 8067 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,1]=4 8068 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,1,0,0,0,0|1,0,0]=3 8069 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,1,0,0,0,0|1,0,0]=3 8070 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,1,0,0,0,0|1,0,0]=3 8071 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,1,0,0,0,0|1,0,0]=3 8072 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,1,0,0,0,0|2,0,0]=4 8073 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,1,0,0,0,0|2,0,0]=4 8074 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,1,0,0,0,0|1,0,1]=4 8075 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,1,0,0,0,0|2,0,0]=4 8076 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [1,1,0,0,0,0|2,0,0]=4 8077 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,1,0,0,0,0|1,0,0]=3 8078 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,1,0,0,0,0|1,0,0]=3 8079 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,1,0,0,0,0|1,0,0]=3 8080 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,1,0,0,0,0|2,0,0]=4 8081 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,1,0,0,0,0|2,0,0]=4 8082 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,1,0,0,0,0|2,0,0]=4 8083 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,1,0,0,0,0|2,0,0]=4 8084 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [1,1,0,0,0,0|2,0,0]=4 8085 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,1,0,0,0,0|1,0,0]=3 8086 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,1,0,0,0,0|1,0,0]=3 8087 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,1,0,0,0,0|2,0,0]=4 8088 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,1,0,0,0,0|2,0,0]=4 8089 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [1,1,0,0,0,0|2,0,0]=4 8090 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [1,1,0,0,0,0|2,0,0]=4 8091 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [1,1,0,0,0,0|2,0,0]=4 8092 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [1,1,0,0,0,0|2,0,0]=4 8093 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,1,0,0,0,0|2,0,0]=4 8094 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,1,0,0,0,0|2,0,0]=4 8095 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [1,1,0,0,0,0|1,0,1]=4 8096 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [1,1,0,0,0,0|1,0,1]=4 8097 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [1,1,0,0,0,0|1,0,1]=4 8098 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 8099 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 8100 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,1,0,0,0,0|1,0,0]=3 8101 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,1,0,0,0,0|1,0,0]=3 8102 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,1,0,0,0,0|1,0,0]=3 8103 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,1,0,0,0,0|1,0,0]=3 8104 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,1,0,0,0,0|1,0,0]=3 8105 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,1,0,0,0,0|2,0,0]=4 8106 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [1,1,0,0,0,0|2,0,0]=4 8107 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,1,0,0,0,0|2,0,0]=4 8108 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,1,0,0,0,0|2,0,0]=4 8109 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,1,0,0,0,0|2,0,0]=4 8110 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [1,1,0,0,0,0|1,0,1]=4 8111 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|0,0,0]=2 8112 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,1,0,0,0,0|2,0,0]=4 8113 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,1,0,0,0,0|2,0,0]=4 8114 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 8115 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 8116 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 8117 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,1,0,0,0,0|1,0,0]=3 8118 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|1,0,0]=3 8119 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,1,0,0,0,0|2,0,0]=4 8120 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,1,0,0,0,0|1,0,0]=3 8121 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,1,0,0,0,0|1,0,0]=3 8122 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,1,0,0,0,0|2,0,0]=4 8123 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,1,0,0,0,0|1,0,1]=4 8124 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,1,0,0,0,0|2,0,0]=4 8125 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,1,0,0,0,0|2,0,0]=4 8126 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,1,0,0,0,0|1,0,1]=4 8127 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,1,0,0,0,0|1,0,1]=4 8128 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,1,0,0,0,0|2,0,0]=4 8129 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [1,1,0,0,0,0|2,0,0]=4 8130 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [1,1,0,0,0,0|2,0,0]=4 8131 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,1,0,0,0,0|1,0,0]=3 8132 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,1,0,0,0,0|1,0,0]=3 8133 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,1,0,0,0,0|2,0,0]=4 8134 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,1,0,0,0,0|2,0,0]=4 8135 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,1,0,0,0,0|2,0,0]=4 8136 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [1,1,0,0,0,0|2,0,0]=4 8137 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,1,0,0,0,0|1,0,0]=3 8138 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,1,0,0,0,0|1,0,0]=3 8139 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,1,0,0,0,0|2,0,0]=4 8140 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,1,0,0,0,0|2,0,0]=4 8141 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [1,1,0,0,0,0|2,0,0]=4 8142 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [1,1,0,0,0,0|2,0,0]=4 8143 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,1,0,0,0,0|2,0,0]=4 8144 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [1,1,0,0,0,0|2,0,0]=4 8145 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [1,1,0,0,0,0|2,0,0]=4 8146 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [1,1,0,0,0,0|2,0,0]=4 8147 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,1,0,0,0,0|1,0,0]=3 8148 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,1,0,0,0,0|1,0,0]=3 8149 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,1,0,0,0,0|1,0,0]=3 8150 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,1,0,0,0,0|1,0,0]=3 8151 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,1,0,0,0,0|2,0,0]=4 8152 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 8153 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 8154 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 8155 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [1,1,0,0,0,0|2,0,0]=4 8156 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [1,1,0,0,0,0|2,0,0]=4 8157 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [1,1,0,0,0,0|2,0,0]=4 8158 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [1,1,0,0,0,0|2,0,0]=4 8159 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [1,1,0,0,0,0|2,0,0]=4 8160 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,1,0,0,0,0|1,0,0]=3 8161 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,1,0,0,0,0|1,0,0]=3 8162 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,1,0,0,0,0|2,0,0]=4 8163 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,1,0,0,0,0|2,0,0]=4 8164 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [1,1,0,0,0,0|2,0,0]=4 8165 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [1,1,0,0,0,0|2,0,0]=4 8166 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [1,1,0,0,0,0|2,0,0]=4 8167 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [1,1,0,0,0,0|2,0,0]=4 8168 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [1,1,0,0,0,0|2,0,0]=4 8169 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,1,0,0,0,0|1,0,0]=3 8170 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,1,0,0,0,0|1,0,0]=3 8171 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [1,1,0,0,0,0|2,0,0]=4 8172 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [1,1,0,0,0,0|2,0,0]=4 8173 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [1,1,0,0,0,0|2,0,0]=4 8174 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [1,1,0,0,0,0|2,0,0]=4 8175 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [1,1,0,0,0,0|2,0,0]=4 8176 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [1,1,0,0,0,0|2,0,0]=4 8177 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [1,1,0,0,0,0|1,0,1]=4 8178 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [1,1,0,0,0,0|1,0,1]=4 8179 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,1,0,0,0,0|1,0,0]=3 8180 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,1,0,0,0,0|1,0,0]=3 8181 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 8182 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 8183 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,1,0,0,0,0|1,0,1]=4 8184 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,1,0,0,0,0|2,0,0]=4 8185 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,1,0,0,0,0|1,0,0]=3 8186 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,1,0,0,0,0|2,0,0]=4 8187 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,1,0,0,0,0|2,0,0]=4 8188 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [1,1,0,0,0,0|2,0,0]=4 8189 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,1,0,0,0,0|2,0,0]=4 8190 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [1,1,0,0,0,0|2,0,0]=4 8191 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [1,1,0,0,0,0|2,0,0]=4 8192 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [1,1,0,0,0,0|2,0,0]=4 8193 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,1,0,0,0,0|1,0,0]=3 8194 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,1,0,0,0,0|1,0,0]=3 8195 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,1,0,0,0,0|1,0,0]=3 8196 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,1,0,0,0,0|1,0,0]=3 8197 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 8198 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 8199 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [1,1,0,0,0,0|2,0,0]=4 8200 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [1,1,0,0,0,0|2,0,0]=4 8201 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [1,1,0,0,0,0|2,0,0]=4 8202 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [1,1,0,0,0,0|2,0,0]=4 8203 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [1,1,0,0,0,0|2,0,0]=4 8204 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [1,1,0,0,0,0|2,0,0]=4 8205 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,1,0,0,0,0|1,0,0]=3 8206 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,1,0,0,0,0|1,0,0]=3 8207 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,1,0,0,0,0|2,0,0]=4 8208 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,1,0,0,0,0|2,0,0]=4 8209 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [1,1,0,0,0,0|2,0,0]=4 8210 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [1,1,0,0,0,0|2,0,0]=4 8211 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [1,1,0,0,0,0|2,0,0]=4 8212 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [1,1,0,0,0,0|2,0,0]=4 8213 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,1,0,0,0,0|2,0,0]=4 8214 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [1,1,0,0,0,0|2,0,0]=4 8215 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [1,1,0,0,0,0|2,0,0]=4 8216 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,1,0,0,0,0|2,0,0]=4 8217 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [1,1,0,0,0,0|2,0,0]=4 8218 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,1,0,0,0,0|1,0,0]=3 8219 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,1,0,0,0,0|1,0,0]=3 8220 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [1,1,0,0,0,0|2,0,0]=4 8221 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [1,1,0,0,0,0|2,0,0]=4 8222 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [1,1,0,0,0,0|2,0,0]=4 8223 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [1,1,0,0,0,0|2,0,0]=4 8224 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [1,1,0,0,0,0|1,0,1]=4 8225 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,1,0,0,0,0|2,0,0]=4 8226 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,1,0,0,0,0|2,0,0]=4 8227 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,1,0,0,0,0|2,0,0]=4 8228 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,1,0,0,0,0|2,0,0]=4 8229 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,1,0,0,0,0|2,0,0]=4 8230 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,1,0,0,0,0|2,0,0]=4 8231 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,1,0,0,0,0|2,0,0]=4 8232 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,1,0,0,0,0|2,0,0]=4 8233 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,1,0,0,0,0|2,0,0]=4 8234 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,1,0,0,0,0|2,0,0]=4 8235 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,1,0,0,0,0|2,0,0]=4 8236 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,1,0,0,0,0|2,0,0]=4 8237 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,1,0,0,0,0|2,0,0]=4 8238 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,1,0,0,0,0|2,0,0]=4 8239 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,1,0,0,0,0|2,0,0]=4 8240 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,1,0,0,0,0|2,0,0]=4 8241 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,1,0,0,0,0|2,0,0]=4 8242 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,1,0,0,0,0|2,0,0]=4 8243 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,1,0,0,0,0|2,0,0]=4 8244 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,1,0,0,0,0|2,0,0]=4 8245 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,1,0,0,0,0|2,0,0]=4 8246 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,1,0,0,0,0|2,0,0]=4 8247 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,1,0,0,0,0|2,0,0]=4 8248 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,1,0,0,0,0|2,0,0]=4 8249 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,1,0,0,0,0|2,0,0]=4 8250 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,1,0,0,0,0|2,0,0]=4 8251 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,1,0,0,0,0|2,0,0]=4 8252 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,1,0,0,0,0|2,0,0]=4 8253 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,1,0,0,0,0|2,0,0]=4 8254 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,1,0,0,0,0|2,0,0]=4 8255 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,1,0,0,0,0|2,0,0]=4 8256 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,1,0,0,0,0|2,0,0]=4 8257 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,1,0,0,0,0|2,0,0]=4 8258 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,1,0,0,0,0|2,0,0]=4 8259 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,1,0,0,0,0|2,0,0]=4 8260 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,1,0,0,0,0|2,0,0]=4 8261 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,1,0,0,0,0|2,0,0]=4 8262 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,1,0,0,0,0|2,0,0]=4 8263 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,1,0,0,0,0|2,0,0]=4 8264 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,1,0,0,0,0|2,0,0]=4 8265 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,1,0,0,0,0|2,0,0]=4 8266 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,1,0,0,0,0|2,0,0]=4 8267 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,1,0,0,0,0|2,0,0]=4 8268 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,1,0,0,0,0|2,0,0]=4 8269 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,1,0,0,0,0|2,0,0]=4 8270 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,1,0,0,0,0|2,0,0]=4 8271 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,1,0,0,0,0|2,0,0]=4 8272 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,1,0,0,0,0|2,0,0]=4 8273 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,1,0,0,0,0|2,0,0]=4 8274 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,1,0,0,0,0|2,0,0]=4 8275 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,1,0,0,0,0|2,0,0]=4 8276 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,1,0,0,0,0|1,0,1]=4 8277 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,1,0,0,0,0|2,0,0]=4 8278 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,1,0,0,0,0|2,0,0]=4 8279 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,1,0,0,0,0|1,0,0]=3 8280 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|1,0,0]=3 8281 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,1,0,0,0,0|2,0,0]=4 8282 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [1,1,0,0,0,0|2,0,0]=4 8283 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,1,0,0,0,0|2,0,0]=4 8284 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [1,1,0,0,0,0|2,0,0]=4 8285 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [1,1,0,0,0,0|2,0,0]=4 8286 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,1,0,0,0,0|1,0,1]=4 8287 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,1,0,0,0,0|1,0,1]=4 8288 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,1,0,0,0,0|1,0,1]=4 8289 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,1,0,0,0,0|1,0,1]=4 8290 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,1,0,0,0,0|1,0,1]=4 8291 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,1,0,0,0,0|1,0,1]=4 8292 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,1,0,0,0,0|1,0,1]=4 8293 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,1,0,0,0,0|1,0,1]=4 8294 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,1,0,0,0,0|1,0,1]=4 8295 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,1,0,0,0,0|1,0,1]=4 8296 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|0,0,0]=2 8297 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [1,1,0,0,0,0|2,0,0]=4 8298 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [1,1,0,0,0,0|2,0,0]=4 8299 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [1,1,0,0,0,0|1,0,1]=4 8300 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [1,1,0,0,0,0|1,0,1]=4 8301 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|1,0,1]=4 8302 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [1,1,0,0,0,0|2,0,0]=4 8303 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [1,1,0,0,0,0|2,0,0]=4 8304 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [1,1,0,0,0,0|2,0,0]=4 8305 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [1,1,0,0,0,0|2,0,0]=4 8306 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|0,0,1]=3 8307 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,1]=4 8308 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,1]=4 8309 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|0,0,2]=4 8310 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 8311 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 8312 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 8313 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|1,0,0]=3 8314 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [1,1,0,0,0,0|2,0,0]=4 8315 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [1,1,0,0,0,0|2,0,0]=4 8316 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [1,1,0,0,0,0|2,0,0]=4 8317 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,1,0,0,0,0|1,0,0]=3 8318 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [1,1,0,0,0,0|1,0,1]=4 8319 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,1]=4 8320 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|1,0,1]=4 8321 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [1,1,0,0,0,0|2,0,0]=4 8322 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [1,1,0,0,0,0|2,0,0]=4 8323 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,1,0,0,0,0|1,0,0]=3 8324 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [1,1,0,0,0,0|2,0,0]=4 8325 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [1,1,0,0,0,0|2,0,0]=4 8326 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [1,1,0,0,0,0|2,0,0]=4 8327 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [1,1,0,0,0,0|2,0,0]=4 8328 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [1,1,0,0,0,0|2,0,0]=4 8329 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [1,1,0,0,0,0|2,0,0]=4 8330 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [1,1,0,0,0,0|2,0,0]=4 8331 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [1,1,0,0,0,0|2,0,0]=4 8332 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [1,1,0,0,0,0|2,0,0]=4 8333 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [1,1,0,0,0,0|2,0,0]=4 8334 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [1,1,0,0,0,0|2,0,0]=4 8335 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [1,1,0,0,0,0|2,0,0]=4 8336 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [1,1,0,0,0,0|2,0,0]=4 8337 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [1,1,0,0,0,0|2,0,0]=4 8338 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [1,1,0,0,0,0|2,0,0]=4 8339 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [1,1,0,0,0,0|2,0,0]=4 8340 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [1,1,0,0,0,0|2,0,0]=4 8341 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [1,1,0,0,0,0|2,0,0]=4 8342 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [1,1,0,0,0,0|2,0,0]=4 8343 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [1,1,0,0,0,0|2,0,0]=4 8344 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [1,1,0,0,0,0|2,0,0]=4 8345 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [1,1,0,0,0,0|2,0,0]=4 8346 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [1,1,0,0,0,0|2,0,0]=4 8347 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [1,1,0,0,0,0|2,0,0]=4 8348 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [1,1,0,0,0,0|2,0,0]=4 8349 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [1,1,0,0,0,0|2,0,0]=4 8350 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [1,1,0,0,0,0|2,0,0]=4 8351 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [1,1,0,0,0,0|2,0,0]=4 8352 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [1,1,0,0,0,0|2,0,0]=4 8353 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [1,1,0,0,0,0|2,0,0]=4 8354 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [1,1,0,0,0,0|2,0,0]=4 8355 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [1,1,0,0,0,0|2,0,0]=4 8356 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [1,1,0,0,0,0|2,0,0]=4 8357 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [1,1,0,0,0,0|2,0,0]=4 8358 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [1,1,0,0,0,0|2,0,0]=4 8359 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [1,1,0,0,0,0|2,0,0]=4 8360 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [1,1,0,0,0,0|2,0,0]=4 8361 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [1,1,0,0,0,0|2,0,0]=4 8362 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [1,1,0,0,0,0|2,0,0]=4 8363 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [1,1,0,0,0,0|2,0,0]=4 8364 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [1,1,0,0,0,0|2,0,0]=4 8365 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,1,0,0,0,0|1,0,1]=4 8366 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [1,1,0,0,0,0|2,0,0]=4 8367 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [1,1,0,0,0,0|2,0,0]=4 8368 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [1,1,0,0,0,0|2,0,0]=4 8369 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [1,1,0,0,0,0|2,0,0]=4 8370 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [1,1,0,0,0,0|2,0,0]=4 8371 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [1,1,0,0,0,0|2,0,0]=4 8372 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [1,1,0,0,0,0|2,0,0]=4 8373 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [1,1,0,0,0,0|2,0,0]=4 8374 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [1,1,0,0,0,0|2,0,0]=4 8375 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [1,1,0,0,0,0|2,0,0]=4 8376 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [1,1,0,0,0,0|2,0,0]=4 8377 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [1,1,0,0,0,0|2,0,0]=4 8378 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [1,1,0,0,0,0|2,0,0]=4 8379 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [1,1,0,0,0,0|2,0,0]=4 8380 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [1,1,0,0,0,0|2,0,0]=4 8381 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [1,1,0,0,0,0|2,0,0]=4 8382 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [1,1,0,0,0,0|2,0,0]=4 8383 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [1,1,0,0,0,0|2,0,0]=4 8384 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [1,1,0,0,0,0|2,0,0]=4 8385 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [1,1,0,0,0,0|2,0,0]=4 8386 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [1,1,0,0,0,0|2,0,0]=4 8387 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [1,1,0,0,0,0|2,0,0]=4 8388 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [1,1,0,0,0,0|2,0,0]=4 8389 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [1,1,0,0,0,0|2,0,0]=4 8390 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|0,0,1]=3 8391 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,1,0,0,0,0|1,0,1]=4 8392 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,1,0,0,0,0|1,0,1]=4 8393 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,1,0,0,0,0|1,0,1]=4 8394 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [1,1,0,0,0,0|1,0,1]=4 8395 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [1,1,0,0,0,0|1,0,1]=4 8396 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [1,1,0,0,0,0|1,0,1]=4 8397 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [1,1,0,0,0,0|2,0,0]=4 8398 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [1,1,0,0,0,0|2,0,0]=4 8399 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [1,1,0,0,0,0|2,0,0]=4 8400 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [1,1,0,0,0,0|2,0,0]=4 8401 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,1,0,0,0,0|1,0,0]=3 8402 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,1,0,0,0,0|1,0,0]=3 8403 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [1,1,0,0,0,0|2,0,0]=4 8404 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [1,1,0,0,0,0|2,0,0]=4 8405 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,1,0,0,0,0|1,0,0]=3 8406 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,1,0,0,0,0|1,0,0]=3 8407 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [1,1,0,0,0,0|2,0,0]=4 8408 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [1,1,0,0,0,0|2,0,0]=4 8409 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [1,1,0,0,0,0|2,0,0]=4 8410 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [1,1,0,0,0,0|2,0,0]=4 8411 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [1,1,0,0,0,0|2,0,0]=4 8412 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [1,1,0,0,0,0|2,0,0]=4 8413 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [1,1,0,0,0,0|2,0,0]=4 8414 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [1,1,0,0,0,0|2,0,0]=4 8415 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,1,0,0,0,0|1,0,0]=3 8416 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,1,0,0,0,0|1,0,0]=3 8417 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,1,0,0,0,0|1,0,0]=3 8418 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [1,1,0,0,0,0|2,0,0]=4 8419 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [1,1,0,0,0,0|2,0,0]=4 8420 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [1,1,0,0,0,0|2,0,0]=4 8421 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [1,1,0,0,0,0|2,0,0]=4 8422 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,1,0,0,0,0|1,0,0]=3 8423 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,1,0,0,0,0|1,0,0]=3 8424 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [1,1,0,0,0,0|2,0,0]=4 8425 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [1,1,0,0,0,0|2,0,0]=4 8426 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [1,1,0,0,0,0|2,0,0]=4 8427 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [1,1,0,0,0,0|2,0,0]=4 8428 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [1,1,0,0,0,0|2,0,0]=4 8429 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [1,1,0,0,0,0|2,0,0]=4 8430 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [1,1,0,0,0,0|2,0,0]=4 8431 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [1,1,0,0,0,0|2,0,0]=4 8432 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,1,0,0,0,0|1,0,0]=3 8433 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,1,0,0,0,0|1,0,0]=3 8434 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [1,1,0,0,0,0|2,0,0]=4 8435 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [1,1,0,0,0,0|2,0,0]=4 8436 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [1,1,0,0,0,0|1,0,0]=3 8437 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [1,1,0,0,0,0|1,0,0]=3 8438 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [1,1,0,0,0,0|2,0,0]=4 8439 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [1,1,0,0,0,0|2,0,0]=4 8440 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [1,1,0,0,0,0|2,0,0]=4 8441 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [1,1,0,0,0,0|2,0,0]=4 8442 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,1,0,0,0,0|1,0,0]=3 8443 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [1,1,0,0,0,0|2,0,0]=4 8444 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [1,1,0,0,0,0|2,0,0]=4 8445 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [1,1,0,0,0,0|2,0,0]=4 8446 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [1,1,0,0,0,0|2,0,0]=4 8447 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,1,0,0,0,0|1,0,0]=3 8448 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,1,0,0,0,0|1,0,0]=3 8449 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,1,0,0,0,0|1,0,0]=3 8450 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [1,1,0,0,0,0|2,0,0]=4 8451 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [1,1,0,0,0,0|2,0,0]=4 8452 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [1,1,0,0,0,0|2,0,0]=4 8453 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,1,0,0,0,0|1,0,0]=3 8454 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,1,0,0,0,0|1,0,0]=3 8455 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [1,1,0,0,0,0|2,0,0]=4 8456 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [1,1,0,0,0,0|2,0,0]=4 8457 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [1,1,0,0,0,0|2,0,0]=4 8458 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [1,1,0,0,0,0|2,0,0]=4 8459 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,1,0,0,0,0|1,0,1]=4 8460 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,1,0,0,0,0|1,0,1]=4 8461 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,1,0,0,0,0|1,0,1]=4 8462 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [1,1,0,0,0,0|2,0,0]=4 8463 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [1,1,0,0,0,0|2,0,0]=4 8464 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|1,0,1]=4 8465 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [1,1,0,0,0,0|2,0,0]=4 8466 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [1,1,0,0,0,0|2,0,0]=4 8467 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [1,1,0,0,0,0|2,0,0]=4 8468 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [1,1,0,0,0,0|2,0,0]=4 8469 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [1,1,0,0,0,0|2,0,0]=4 8470 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [1,1,0,0,0,0|2,0,0]=4 8471 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [1,1,0,0,0,0|2,0,0]=4 8472 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [1,1,0,0,0,0|2,0,0]=4 8473 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [1,1,0,0,0,0|2,0,0]=4 8474 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [1,1,0,0,0,0|2,0,0]=4 8475 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [1,1,0,0,0,0|2,0,0]=4 8476 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [1,1,0,0,0,0|2,0,0]=4 8477 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [1,1,0,0,0,0|2,0,0]=4 8478 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [1,1,0,0,0,0|2,0,0]=4 8479 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [1,1,0,0,0,0|2,0,0]=4 8480 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [1,1,0,0,0,0|2,0,0]=4 8481 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [1,1,0,0,0,0|2,0,0]=4 8482 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|0,0,0]=2 8483 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 8484 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 8485 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [1,1,0,0,0,0|2,0,0]=4 8486 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|0,0,0]=2 8487 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|0,0,0]=2 8488 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 8489 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 8490 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 8491 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [1,1,0,0,0,0|1,0,0]=3 8492 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [1,1,0,0,0,0|1,0,0]=3 8493 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [1,1,0,0,0,0|2,0,0]=4 8494 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [1,1,0,0,0,0|2,0,0]=4 8495 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [1,1,0,0,0,0|1,0,0]=3 8496 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [1,1,0,0,0,0|2,0,0]=4 8497 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [1,1,0,0,0,0|2,0,0]=4 8498 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,1,0,0,0,0|1,0,0]=3 8499 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,1,0,0,0,0|1,0,0]=3 8500 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [1,1,0,0,0,0|2,0,0]=4 8501 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [1,1,0,0,0,0|2,0,0]=4 8502 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [1,1,0,0,0,0|2,0,0]=4 8503 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [1,1,0,0,0,0|2,0,0]=4 8504 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [1,1,0,0,0,0|1,0,1]=4 8505 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [1,1,0,0,0,0|1,0,1]=4 8506 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [1,1,0,0,0,0|2,0,0]=4 8507 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [1,1,0,0,0,0|2,0,0]=4 8508 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [1,1,0,0,0,0|1,0,0]=3 8509 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [1,1,0,0,0,0|1,0,0]=3 8510 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [1,1,0,0,0,0|2,0,0]=4 8511 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [1,1,0,0,0,0|2,0,0]=4 8512 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [1,1,0,0,0,0|2,0,0]=4 8513 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [1,1,0,0,0,0|2,0,0]=4 8514 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [1,1,0,0,0,0|1,0,1]=4 8515 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [1,1,0,0,0,0|1,0,1]=4 8516 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [1,1,0,0,0,0|1,0,0]=3 8517 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [1,1,0,0,0,0|1,0,0]=3 8518 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [1,1,0,0,0,0|1,0,1]=4 8519 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [1,1,0,0,0,0|1,0,0]=3 8520 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [1,1,0,0,0,0|1,0,0]=3 8521 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [1,1,0,0,0,0|2,0,0]=4 8522 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [1,1,0,0,0,0|1,0,1]=4 8523 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [1,1,0,0,0,0|1,0,1]=4 8524 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [1,1,0,0,0,0|2,0,0]=4 8525 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [1,1,0,0,0,0|2,0,0]=4 8526 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [1,1,0,0,0,0|2,0,0]=4 8527 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [1,1,0,0,0,0|2,0,0]=4 8528 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [1,1,0,0,0,0|2,0,0]=4 8529 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [1,1,0,0,0,0|2,0,0]=4 8530 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [1,1,0,0,0,0|2,0,0]=4 8531 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [1,1,0,0,0,0|2,0,0]=4 8532 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [1,1,0,0,0,0|2,0,0]=4 8533 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [1,1,0,0,0,0|2,0,0]=4 8534 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [1,1,0,0,0,0|2,0,0]=4 8535 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [1,1,0,0,0,0|2,0,0]=4 8536 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [1,1,0,0,0,0|2,0,0]=4 8537 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [1,1,0,0,0,0|2,0,0]=4 8538 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [1,1,0,0,0,0|2,0,0]=4 8539 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [1,1,0,0,0,0|2,0,0]=4 8540 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [1,1,0,0,0,0|2,0,0]=4 8541 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [1,1,0,0,0,0|2,0,0]=4 8542 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [1,1,0,0,0,0|2,0,0]=4 8543 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [1,1,0,0,0,0|2,0,0]=4 8544 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [1,1,0,0,0,0|2,0,0]=4 8545 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [1,1,0,0,0,0|2,0,0]=4 8546 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [1,1,0,0,0,0|2,0,0]=4 8547 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [1,1,0,0,0,0|2,0,0]=4 8548 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [1,1,0,0,0,0|2,0,0]=4 8549 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [1,1,0,0,0,0|2,0,0]=4 8550 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [1,1,0,0,0,0|2,0,0]=4 8551 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [1,1,0,0,0,0|2,0,0]=4 8552 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [1,1,0,0,0,0|2,0,0]=4 8553 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [1,1,0,0,0,0|2,0,0]=4 8554 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [1,1,0,0,0,0|2,0,0]=4 8555 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [1,1,0,0,0,0|2,0,0]=4 8556 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [1,1,0,0,0,0|2,0,0]=4 8557 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [1,1,0,0,0,0|2,0,0]=4 8558 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [1,1,0,0,0,0|1,0,1]=4 8559 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [1,1,0,0,0,0|1,0,1]=4 8560 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [1,1,0,0,0,0|2,0,0]=4 8561 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [1,1,0,0,0,0|2,0,0]=4 8562 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [1,1,0,0,0,0|2,0,0]=4 8563 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [1,1,0,0,0,0|2,0,0]=4 8564 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [1,1,0,0,0,0|2,0,0]=4 8565 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [1,1,0,0,0,0|2,0,0]=4 8566 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [1,1,0,0,0,0|2,0,0]=4 8567 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [1,1,0,0,0,0|2,0,0]=4 8568 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [1,1,0,0,0,0|2,0,0]=4 8569 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [1,1,0,0,0,0|2,0,0]=4 8570 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [1,1,0,0,0,0|2,0,0]=4 8571 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [1,1,0,0,0,0|2,0,0]=4 8572 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,1,0,0,0,0|1,0,1]=4 8573 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [1,1,0,0,0,0|1,0,1]=4 8574 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [1,1,0,0,0,0|1,0,1]=4 8575 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [1,1,0,0,0,0|1,0,1]=4 8576 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|0,0,0]=2 8577 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|0,0,0]=2 8578 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [1,1,0,0,0,0|2,0,0]=4 8579 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [1,1,0,0,0,0|2,0,0]=4 8580 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,1,0,0,0,0|1,0,0]=3 8581 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,1,0,0,0,0|1,0,0]=3 8582 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [1,1,0,0,0,0|2,0,0]=4 8583 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [1,1,0,0,0,0|2,0,0]=4 8584 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [1,1,0,0,0,0|1,0,1]=4 8585 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [1,1,0,0,0,0|2,0,0]=4 8586 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [1,1,0,0,0,0|2,0,0]=4 8587 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [1,1,0,0,0,0|1,0,1]=4 8588 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [1,1,0,0,0,0|1,0,1]=4 8589 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,1,0,0,0,0|1,0,0]=3 8590 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [1,1,0,0,0,0|2,0,0]=4 8591 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [1,1,0,0,0,0|2,0,0]=4 8592 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [1,1,0,0,0,0|2,0,0]=4 8593 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [1,1,0,0,0,0|2,0,0]=4 8594 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [1,1,0,0,0,0|1,0,1]=4 8595 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [1,1,0,0,0,0|1,0,1]=4 8596 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [1,1,0,0,0,0|2,0,0]=4 8597 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 8598 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 8599 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 8600 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [1,1,0,0,0,0|2,0,0]=4 8601 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [1,1,0,0,0,0|2,0,0]=4 8602 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [1,1,0,0,0,0|2,0,0]=4 8603 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [1,1,0,0,0,0|2,0,0]=4 8604 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [1,1,0,0,0,0|2,0,0]=4 8605 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [1,1,0,0,0,0|2,0,0]=4 8606 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [1,1,0,0,0,0|2,0,0]=4 8607 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [1,1,0,0,0,0|2,0,0]=4 8608 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [1,1,0,0,0,0|2,0,0]=4 8609 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [1,1,0,0,0,0|2,0,0]=4 8610 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [1,1,0,0,0,0|2,0,0]=4 8611 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [1,1,0,0,0,0|2,0,0]=4 8612 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [1,1,0,0,0,0|2,0,0]=4 8613 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [1,1,0,0,0,0|2,0,0]=4 8614 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [1,1,0,0,0,0|2,0,0]=4 8615 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [1,1,0,0,0,0|1,0,1]=4 8616 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [1,1,0,0,0,0|1,0,1]=4 8617 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [1,1,0,0,0,0|2,0,0]=4 8618 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [1,1,0,0,0,0|2,0,0]=4 8619 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [1,1,0,0,0,0|2,0,0]=4 8620 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [1,1,0,0,0,0|2,0,0]=4 8621 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [1,1,0,0,0,0|2,0,0]=4 8622 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [1,1,0,0,0,0|2,0,0]=4 8623 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [1,1,0,0,0,0|1,0,1]=4 8624 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [1,1,0,0,0,0|1,0,1]=4 8625 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [1,1,0,0,0,0|2,0,0]=4 8626 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [1,1,0,0,0,0|2,0,0]=4 8627 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [1,1,0,0,0,0|2,0,0]=4 8628 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [1,1,0,0,0,0|2,0,0]=4 8629 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [1,1,0,0,0,0|2,0,0]=4 8630 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [1,1,0,0,0,0|2,0,0]=4 8631 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [1,1,0,0,0,0|1,0,1]=4 8632 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [1,1,0,0,0,0|1,0,1]=4 8633 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [1,1,0,0,0,0|1,0,1]=4 8634 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [1,1,0,0,0,0|2,0,0]=4 8635 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [1,1,0,0,0,0|2,0,0]=4 8636 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [1,1,0,0,0,0|2,0,0]=4 8637 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [1,1,0,0,0,0|2,0,0]=4 8638 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [1,1,0,0,0,0|1,0,1]=4 8639 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [1,1,0,0,0,0|1,0,1]=4 8640 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [1,1,0,0,0,0|2,0,0]=4 8641 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [1,1,0,0,0,0|2,0,0]=4 8642 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [1,1,0,0,0,0|2,0,0]=4 8643 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [1,1,0,0,0,0|2,0,0]=4 8644 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [1,1,0,0,0,0|2,0,0]=4 8645 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,1,0,0,0,0|1,0,1]=4 8646 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|0,0,0]=2 8647 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|0,0,0]=2 8648 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [1,1,0,0,0,0|2,0,0]=4 8649 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,1,0,0,0,0|1,0,0]=3 8650 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,1,0,0,0,0|1,0,1]=4 8651 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,1,0,0,0,0|1,0,0]=3 8652 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,1,0,0,0,0|1,0,1]=4 8653 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,1,0,0,0,0|1,0,0]=3 8654 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,1,0,0,0,0|1,0,0]=3 8655 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,1,0,0,0,0|1,0,1]=4 8656 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,1,0,0,0,0|1,0,0]=3 8657 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|1,0,0]=3 8658 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [1,1,0,0,0,0|2,0,0]=4 8659 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [1,1,0,0,0,0|1,0,1]=4 8660 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,1,0,0,0,0|1,0,0]=3 8661 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,1,0,0,0,0|1,0,0]=3 8662 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,1,0,0,0,0|1,0,0]=3 8663 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,1,0,0,0,0|1,0,0]=3 8664 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,1,0,0,0,0|1,0,0]=3 8665 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|1,0,0]=3 8666 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|1,0,0]=3 8667 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [1,1,0,0,0,0|2,0,0]=4 8668 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [1,1,0,0,0,0|2,0,0]=4 8669 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [1,1,0,0,0,0|2,0,0]=4 8670 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,1,0,0,0,0|1,0,0]=3 8671 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,1,0,0,0,0|1,0,0]=3 8672 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|1,0,0]=3 8673 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|1,0,0]=3 8674 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,1,0,0,0,0|1,0,0]=3 8675 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,1,0,0,0,0|1,0,0]=3 8676 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|1,0,0]=3 8677 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|1,0,0]=3 8678 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [1,1,0,0,0,0|2,0,0]=4 8679 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [1,1,0,0,0,0|2,0,0]=4 8680 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|1,0,0]=3 8681 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|1,0,0]=3 8682 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [1,1,0,0,0,0|1,0,1]=4 8683 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|1,0,0]=3 8684 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|1,0,0]=3 8685 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|1,0,0]=3 8686 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,1,0,0,0,0|1,0,0]=3 8687 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,1,0,0,0,0|1,0,0]=3 8688 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [1,1,0,0,0,0|2,0,0]=4 8689 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [1,1,0,0,0,0|2,0,0]=4 8690 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [1,1,0,0,0,0|1,0,1]=4 8691 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,1,0,0,0,0|1,0,0]=3 8692 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,1,0,0,0,0|1,0,0]=3 8693 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|1,0,0]=3 8694 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|1,0,0]=3 8695 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [1,1,0,0,0,0|2,0,0]=4 8696 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [1,1,0,0,0,0|2,0,0]=4 8697 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [1,1,0,0,0,0|2,0,0]=4 8698 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,1,0,0,0,0|1,0,0]=3 8699 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|1,0,0]=3 8700 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [1,1,0,0,0,0|2,0,0]=4 8701 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [1,1,0,0,0,0|2,0,0]=4 8702 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [1,1,0,0,0,0|2,0,0]=4 8703 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [1,1,0,0,0,0|2,0,0]=4 8704 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 8705 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 8706 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 8707 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [1,1,0,0,0,0|2,0,0]=4 8708 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [1,1,0,0,0,0|2,0,0]=4 8709 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [1,1,0,0,0,0|2,0,0]=4 8710 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [1,1,0,0,0,0|2,0,0]=4 8711 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [1,1,0,0,0,0|2,0,0]=4 8712 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [1,1,0,0,0,0|2,0,0]=4 8713 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [1,1,0,0,0,0|2,0,0]=4 8714 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [1,1,0,0,0,0|2,0,0]=4 8715 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [1,1,0,0,0,0|2,0,0]=4 8716 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [1,1,0,0,0,0|2,0,0]=4 8717 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [1,1,0,0,0,0|2,0,0]=4 8718 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [1,1,0,0,0,0|2,0,0]=4 8719 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [1,1,0,0,0,0|2,0,0]=4 8720 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [1,1,0,0,0,0|2,0,0]=4 8721 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [1,1,0,0,0,0|2,0,0]=4 8722 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [1,1,0,0,0,0|2,0,0]=4 8723 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [1,1,0,0,0,0|2,0,0]=4 8724 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [1,1,0,0,0,0|2,0,0]=4 8725 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [1,1,0,0,0,0|2,0,0]=4 8726 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [1,1,0,0,0,0|2,0,0]=4 8727 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [1,1,0,0,0,0|2,0,0]=4 8728 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [1,1,0,0,0,0|2,0,0]=4 8729 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [1,1,0,0,0,0|2,0,0]=4 8730 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [1,1,0,0,0,0|2,0,0]=4 8731 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [1,1,0,0,0,0|2,0,0]=4 8732 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [1,1,0,0,0,0|2,0,0]=4 8733 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [1,1,0,0,0,0|2,0,0]=4 8734 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [1,1,0,0,0,0|2,0,0]=4 8735 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [1,1,0,0,0,0|2,0,0]=4 8736 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [1,1,0,0,0,0|2,0,0]=4 8737 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [1,1,0,0,0,0|2,0,0]=4 8738 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [1,1,0,0,0,0|2,0,0]=4 8739 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [1,1,0,0,0,0|2,0,0]=4 8740 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [1,1,0,0,0,0|2,0,0]=4 8741 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [1,1,0,0,0,0|2,0,0]=4 8742 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [1,1,0,0,0,0|2,0,0]=4 8743 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [1,1,0,0,0,0|2,0,0]=4 8744 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [1,1,0,0,0,0|2,0,0]=4 8745 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [1,1,0,0,0,0|2,0,0]=4 8746 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [1,1,0,0,0,0|2,0,0]=4 8747 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [1,1,0,0,0,0|2,0,0]=4 8748 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [1,1,0,0,0,0|2,0,0]=4 8749 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [1,1,0,0,0,0|2,0,0]=4 8750 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [1,1,0,0,0,0|2,0,0]=4 8751 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [1,1,0,0,0,0|2,0,0]=4 8752 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [1,1,0,0,0,0|2,0,0]=4 8753 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [1,1,0,0,0,0|2,0,0]=4 8754 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [1,1,0,0,0,0|2,0,0]=4 8755 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [1,1,0,0,0,0|2,0,0]=4 8756 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [1,1,0,0,0,0|2,0,0]=4 8757 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|0,0,0]=2 8758 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 8759 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 8760 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [1,1,0,0,0,0|2,0,0]=4 8761 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [1,1,0,0,0,0|2,0,0]=4 8762 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [1,1,0,0,0,0|2,0,0]=4 8763 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|1,0,0]=3 8764 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [1,1,0,0,0,0|1,0,1]=4 8765 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [1,1,0,0,0,0|2,0,0]=4 8766 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [1,1,0,0,0,0|2,0,0]=4 8767 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [1,1,0,0,0,0|1,0,1]=4 8768 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [1,1,0,0,0,0|2,0,0]=4 8769 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [1,1,0,0,0,0|2,0,0]=4 8770 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [1,1,0,0,0,0|1,0,1]=4 8771 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [1,1,0,0,0,0|1,0,1]=4 8772 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [1,1,0,0,0,0|2,0,0]=4 8773 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [1,1,0,0,0,0|2,0,0]=4 8774 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [1,1,0,0,0,0|2,0,0]=4 8775 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [1,1,0,0,0,0|2,0,0]=4 8776 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [1,1,0,0,0,0|2,0,0]=4 8777 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [1,1,0,0,0,0|2,0,0]=4 8778 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [1,1,0,0,0,0|2,0,0]=4 8779 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [1,1,0,0,0,0|2,0,0]=4 8780 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [1,1,0,0,0,0|2,0,0]=4 8781 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [1,1,0,0,0,0|2,0,0]=4 8782 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [1,1,0,0,0,0|2,0,0]=4 8783 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [1,1,0,0,0,0|2,0,0]=4 8784 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [1,1,0,0,0,0|2,0,0]=4 8785 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [1,1,0,0,0,0|2,0,0]=4 8786 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [1,1,0,0,0,0|2,0,0]=4 8787 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,1,0,0,0,0|2,0,0]=4 8788 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [1,1,0,0,0,0|2,0,0]=4 8789 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [1,1,0,0,0,0|2,0,0]=4 8790 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [1,1,0,0,0,0|2,0,0]=4 8791 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [1,1,0,0,0,0|2,0,0]=4 8792 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [1,1,0,0,0,0|2,0,0]=4 8793 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [1,1,0,0,0,0|2,0,0]=4 8794 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [1,1,0,0,0,0|2,0,0]=4 8795 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,1,0,0,0,0|1,0,0]=3 8796 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [1,1,0,0,0,0|2,0,0]=4 8797 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [1,1,0,0,0,0|2,0,0]=4 8798 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [1,1,0,0,0,0|1,0,1]=4 8799 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [1,1,0,0,0,0|1,0,1]=4 8800 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [1,1,0,0,0,0|2,0,0]=4 8801 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [1,1,0,0,0,0|2,0,0]=4 8802 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [1,1,0,0,0,0|2,0,0]=4 8803 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [1,1,0,0,0,0|2,0,0]=4 8804 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [1,1,0,0,0,0|2,0,0]=4 8805 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [1,1,0,0,0,0|2,0,0]=4 8806 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [1,1,0,0,0,0|2,0,0]=4 8807 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [1,1,0,0,0,0|2,0,0]=4 8808 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [1,1,0,0,0,0|2,0,0]=4 8809 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [1,1,0,0,0,0|2,0,0]=4 8810 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [1,1,0,0,0,0|2,0,0]=4 8811 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,1,0,0,0,0|2,0,0]=4 8812 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,1,0,0,0,0|2,0,0]=4 8813 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [1,1,0,0,0,0|2,0,0]=4 8814 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [1,1,0,0,0,0|2,0,0]=4 8815 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [1,1,0,0,0,0|2,0,0]=4 8816 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [1,1,0,0,0,0|2,0,0]=4 8817 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [1,1,0,0,0,0|2,0,0]=4 8818 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [1,1,0,0,0,0|2,0,0]=4 8819 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [1,1,0,0,0,0|2,0,0]=4 8820 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [1,1,0,0,0,0|2,0,0]=4 8821 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [1,1,0,0,0,0|2,0,0]=4 8822 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [1,1,0,0,0,0|2,0,0]=4 8823 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [1,1,0,0,0,0|2,0,0]=4 8824 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [1,1,0,0,0,0|2,0,0]=4 8825 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [1,1,0,0,0,0|2,0,0]=4 8826 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [1,1,0,0,0,0|2,0,0]=4 8827 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [1,1,0,0,0,0|2,0,0]=4 8828 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [1,1,0,0,0,0|2,0,0]=4 8829 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [1,1,0,0,0,0|2,0,0]=4 8830 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|1,0,1]=4 8831 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [1,1,0,0,0,0|2,0,0]=4 8832 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [1,1,0,0,0,0|2,0,0]=4 8833 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [1,1,0,0,0,0|2,0,0]=4 8834 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [1,1,0,0,0,0|2,0,0]=4 8835 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [1,1,0,0,0,0|2,0,0]=4 8836 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|0,0,2]=4 8837 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|2,0,0]=4 8838 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|2,0,0]=4 8839 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [1,1,0,0,0,0|1,0,1]=4 8840 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [1,1,0,0,0,0|1,0,1]=4 8841 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [1,1,0,0,0,0|1,0,1]=4 8842 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [1,1,0,0,0,0|1,0,1]=4 8843 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [1,1,0,0,0,0|1,0,1]=4 8844 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [1,1,0,0,0,0|1,0,1]=4 8845 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [1,1,0,0,0,0|1,0,1]=4 8846 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [1,1,0,0,0,0|1,0,1]=4 8847 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [1,1,0,0,0,0|1,0,1]=4 8848 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [1,1,0,0,0,0|1,0,1]=4 8849 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [1,1,0,0,0,0|1,0,1]=4 8850 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [1,1,0,0,0,0|1,0,1]=4 8851 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [1,1,0,0,0,0|1,0,1]=4 8852 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [1,1,0,0,0,0|1,0,1]=4 8853 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [1,1,0,0,0,0|1,0,1]=4 8854 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|0,0,2]=4 8855 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [1,1,0,0,0,0|2,0,0]=4 8856 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [1,1,0,0,0,0|2,0,0]=4 8857 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [1,1,0,0,0,0|2,0,0]=4 8858 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [1,1,0,0,0,0|2,0,0]=4 8859 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|2,0,0]=4 8860 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|2,0,0]=4 8861 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|2,0,0]=4 8862 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [1,1,0,0,0,0|2,0,0]=4 8863 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [1,1,0,0,0,0|2,0,0]=4 8864 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [1,1,0,0,0,0|1,0,1]=4 8865 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [1,1,0,0,0,0|1,0,1]=4 8866 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [1,1,0,0,0,0|1,0,1]=4 8867 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [1,1,0,0,0,0|1,0,1]=4 8868 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [1,1,0,0,0,0|1,0,1]=4 8869 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [1,1,0,0,0,0|1,0,1]=4 8870 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [1,1,0,0,0,0|1,0,1]=4 8871 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [1,1,0,0,0,0|1,0,1]=4 8872 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [1,1,0,0,0,0|1,0,1]=4 8873 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [1,1,0,0,0,0|1,0,1]=4 8874 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [1,1,0,0,0,0|1,0,1]=4 8875 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [1,1,0,0,0,0|1,0,1]=4 8876 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [1,1,0,0,0,0|1,0,1]=4 8877 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [1,1,0,0,0,0|1,0,1]=4 8878 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [1,1,0,0,0,0|1,0,1]=4 8879 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [1,1,0,0,0,0|1,0,1]=4 8880 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [1,1,0,0,0,0|1,0,1]=4 8881 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [1,1,0,0,0,0|1,0,1]=4 8882 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [1,1,0,0,0,0|1,0,1]=4 8883 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [1,1,0,0,0,0|1,0,1]=4 8884 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [1,1,0,0,0,0|1,0,1]=4 8885 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,1,0,0,0,0|0,0,2]=4 8886 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,1,0,0,0,0|0,0,2]=4 8887 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,1,0,0,0,0|0,0,2]=4 8888 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,1,0,0,0,0|0,0,2]=4 8889 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,1,0,0,0,0|0,0,2]=4 8890 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|1,0,0]=3 8891 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,1,0,0,0,0|2,0,0]=4 8892 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,1,0,0,0,0|2,0,0]=4 8893 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,1,0,0,0,0|2,0,0]=4 8894 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,1,0,0,0,0|2,0,0]=4 8895 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,1,0,0,0,0|2,0,0]=4 8896 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,1,0,0,0,0|2,0,0]=4 8897 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,1,0,0,0,0|2,0,0]=4 8898 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,1,0,0,0,0|2,0,0]=4 8899 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,1,0,0,0,0|2,0,0]=4 8900 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,1,0,0,0,0|2,0,0]=4 8901 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|1,0,0]=3 8902 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|1,0,0]=3 8903 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|1,0,0]=3 8904 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 8905 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 8906 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,1,0,0,0,0|2,0,0]=4 8907 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,1,0,0,0,0|2,0,0]=4 8908 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,1,0,0,0,0|2,0,0]=4 8909 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,1,0,0,0,0|2,0,0]=4 8910 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,1,0,0,0,0|2,0,0]=4 8911 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,1,0,0,0,0|2,0,0]=4 8912 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,1,0,0,0,0|2,0,0]=4 8913 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,1,0,0,0,0|2,0,0]=4 8914 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,1,0,0,0,0|2,0,0]=4 8915 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,1,0,0,0,0|2,0,0]=4 8916 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,1,0,0,0,0|2,0,0]=4 8917 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,1,0,0,0,0|2,0,0]=4 8918 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,1,0,0,0,0|2,0,0]=4 8919 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,1,0,0,0,0|2,0,0]=4 8920 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,1,0,0,0,0|2,0,0]=4 8921 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,1,0,0,0,0|2,0,0]=4 8922 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,1,0,0,0,0|2,0,0]=4 8923 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,1,0,0,0,0|2,0,0]=4 8924 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,1,0,0,0,0|2,0,0]=4 8925 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,1,0,0,0,0|2,0,0]=4 8926 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|1,0,0]=3 8927 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|1,0,0]=3 8928 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,1,0,0,0,0|2,0,0]=4 8929 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,1,0,0,0,0|2,0,0]=4 8930 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 8931 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,1,0,0,0,0|2,0,0]=4 8932 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,1,0,0,0,0|2,0,0]=4 8933 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,1,0,0,0,0|2,0,0]=4 8934 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,1,0,0,0,0|2,0,0]=4 8935 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,1,0,0,0,0|2,0,0]=4 8936 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,1,0,0,0,0|2,0,0]=4 8937 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,1,0,0,0,0|2,0,0]=4 8938 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,1,0,0,0,0|2,0,0]=4 8939 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,1,0,0,0,0|2,0,0]=4 8940 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,1,0,0,0,0|0,0,2]=4 8941 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,1,0,0,0,0|0,0,2]=4 8942 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,1,0,0,0,0|0,0,2]=4 8943 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,1,0,0,0,0|0,0,2]=4 8944 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,1,0,0,0,0|0,0,2]=4 8945 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,1,0,0,0,0|1,0,1]=4 8946 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,1,0,0,0,0|1,0,1]=4 8947 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,1,0,0,0,0|1,0,1]=4 8948 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,1,0,0,0,0|1,0,1]=4 8949 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,1,0,0,0,0|1,0,1]=4 8950 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,1,0,0,0,0|1,0,1]=4 8951 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,1,0,0,0,0|1,0,1]=4 8952 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,1,0,0,0,0|1,0,1]=4 8953 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,1,0,0,0,0|1,0,1]=4 8954 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|1,0,1]=4 8955 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|1,0,1]=4 8956 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|1,0,1]=4 8957 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|0,0,2]=4 8958 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|0,0,2]=4 8959 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|0,0,2]=4 8960 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|0,0,2]=4 8961 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 8962 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 8963 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|1,0,1]=4 8964 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|1,0,1]=4 8965 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|1,0,1]=4 8966 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|1,0,1]=4 8967 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|1,0,1]=4 8968 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|1,0,1]=4 8969 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|1,0,1]=4 8970 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|1,0,1]=4 8971 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|1,0,1]=4 8972 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|1,0,1]=4 8973 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|1,0,1]=4 8974 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|1,0,1]=4 8975 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|1,0,1]=4 8976 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|1,0,1]=4 8977 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,1,0,0,0,0|2,0,0]=4 8978 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|1,0,0]=3 8979 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,1,0,0,0,0|2,0,0]=4 8980 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,1,0,0,0,0|2,0,0]=4 8981 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,1,0,0,0,0|2,0,0]=4 8982 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,1,0,0,0,0|2,0,0]=4 8983 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|1,0,0]=3 8984 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 8985 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 8986 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,1,0,0,0,0|2,0,0]=4 8987 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,1,0,0,0,0|2,0,0]=4 8988 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,1,0,0,0,0|2,0,0]=4 8989 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,1,0,0,0,0|2,0,0]=4 8990 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,1,0,0,0,0|2,0,0]=4 8991 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,1,0,0,0,0|2,0,0]=4 8992 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,1,0,0,0,0|2,0,0]=4 8993 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|1,0,0]=3 8994 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|1,0,0]=3 8995 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 8996 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 8997 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,1,0,0,0,0|2,0,0]=4 8998 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,1,0,0,0,0|2,0,0]=4 8999 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 9000 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,1,0,0,0,0|2,0,0]=4 9001 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,1,0,0,0,0|2,0,0]=4 9002 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,1,0,0,0,0|2,0,0]=4 9003 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,1,0,0,0,0|2,0,0]=4 9004 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,1,0,0,0,0|2,0,0]=4 9005 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,1,0,0,0,0|2,0,0]=4 9006 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,1,0,0,0,0|2,0,0]=4 9007 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,1,0,0,0,0|2,0,0]=4 9008 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,1,0,0,0,0|2,0,0]=4 9009 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,1,0,0,0,0|2,0,0]=4 9010 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,1,0,0,0,0|2,0,0]=4 9011 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|1,0,0]=3 9012 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|1,0,0]=3 9013 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,1,0,0,0,0|2,0,0]=4 9014 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,1,0,0,0,0|2,0,0]=4 9015 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,1,0,0,0,0|2,0,0]=4 9016 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 9017 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,1,0,0,0,0|2,0,0]=4 9018 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,1,0,0,0,0|2,0,0]=4 9019 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,1,0,0,0,0|2,0,0]=4 9020 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,1,0,0,0,0|2,0,0]=4 9021 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,1,0,0,0,0|2,0,0]=4 9022 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,1,0,0,0,0|2,0,0]=4 9023 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,1,0,0,0,0|2,0,0]=4 9024 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,1,0,0,0,0|2,0,0]=4 9025 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [1,1,0,0,0,0|0,0,2]=4 9026 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,1,0,0,0,0|0,0,2]=4 9027 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,1,0,0,0,0|0,0,2]=4 9028 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,1,0,0,0,0|0,0,2]=4 9029 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,1,0,0,0,0|0,0,2]=4 9030 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,1,0,0,0,0|0,0,2]=4 9031 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,1,0,0,0,0|0,0,2]=4 9032 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,1,0,0,0,0|0,0,2]=4 9033 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,1,0,0,0,0|0,0,2]=4 9034 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|0,0,1]=3 9035 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|0,0,1]=3 9036 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|0,0,1]=3 9037 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|0,0,1]=3 9038 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,1,0,0,0,0|0,0,2]=4 9039 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,1,0,0,0,0|0,0,2]=4 9040 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,1,0,0,0,0|0,0,2]=4 9041 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,1,0,0,0,0|0,0,2]=4 9042 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 9043 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|1,0,1]=4 9044 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 9045 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|1,0,1]=4 9046 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|1,0,1]=4 9047 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 9048 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 9049 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|0,0,1]=3 9050 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|0,0,1]=3 9051 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|0,0,1]=3 9052 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|0,0,1]=3 9053 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|0,0,1]=3 9054 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|0,1,1]=4 9055 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|0,1,1]=4 9056 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 9057 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|1,0,1]=4 9058 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 9059 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,1,0,0,0,0|1,0,1]=4 9060 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|0,0,1]=3 9061 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|0,0,1]=3 9062 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|0,0,1]=3 9063 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,1,0,0,0,0|0,0,1]=3 9064 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,1,0,0,0,0|0,0,1]=3 9065 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|0,1,1]=4 9066 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|0,1,1]=4 9067 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,1,0,0,0,0|0,1,1]=4 9068 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,1,0,0,0,0|0,1,1]=4 9069 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|1,0,1]=4 9070 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,1,0,0,0,0|2,0,0]=4 9071 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,1,0,0,0,0|2,0,0]=4 9072 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|2,0,0]=4 9073 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|2,0,0]=4 9074 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|2,0,0]=4 9075 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|0,0,1]=3 9076 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,1,0,0,0,0|0,1,1]=4 9077 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|2,0,0]=4 9078 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|1,0,1]=4 9079 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|1,0,1]=4 9080 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|1,0,1]=4 9081 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|2,0,0]=4 9082 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|2,0,0]=4 9083 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|2,0,0]=4 9084 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|2,0,0]=4 9085 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|2,0,0]=4 9086 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|0,1,1]=4 9087 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|1,0,1]=4 9088 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|1,0,1]=4 9089 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,1,0,0,0,0|2,0,0]=4 9090 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,1,0,0,0,0|2,0,0]=4 9091 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|2,0,0]=4 9092 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|2,0,0]=4 9093 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|0,0,1]=3 9094 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|0,0,1]=3 9095 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,1,0,0,0,0|0,1,1]=4 9096 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,1,0,0,0,0|0,1,1]=4 9097 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|1,0,1]=4 9098 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|1,0,1]=4 9099 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|1,0,1]=4 9100 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|0,0,1]=3 9101 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|0,0,1]=3 9102 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|0,1,1]=4 9103 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|0,1,1]=4 9104 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|1,0,1]=4 9105 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|1,0,1]=4 9106 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|1,0,1]=4 9107 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|1,0,1]=4 9108 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|0,0,1]=3 9109 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|0,0,1]=3 9110 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|0,0,1]=3 9111 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|0,0,1]=3 9112 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|0,0,1]=3 9113 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,1,0,0,0,0|1,0,1]=4 9114 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|0,0,1]=3 9115 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|0,0,1]=3 9116 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|0,1,1]=4 9117 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|0,1,1]=4 9118 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|0,1,1]=4 9119 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|0,1,1]=4 9120 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|1,0,1]=4 9121 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|1,0,1]=4 9122 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|0,0,1]=3 9123 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|0,0,1]=3 9124 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|0,1,1]=4 9125 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|0,1,1]=4 9126 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,1,0,0,0,0|1,0,1]=4 9127 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,1,0,0,0,0|1,0,1]=4 9128 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|1,0,1]=4 9129 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|0,0,1]=3 9130 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|0,0,1]=3 9131 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|0,1,1]=4 9132 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,1,0,0,0,0|1,0,1]=4 9133 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,1,0,0,0,0|1,0,1]=4 9134 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,1,0,0,0,0|1,0,1]=4 9135 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,1,0,0,0,0|1,0,1]=4 9136 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,1,0,0,0,0|1,0,1]=4 9137 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,1,0,0,0,0|2,0,0]=4 9138 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,1,0,0,0,0|2,0,0]=4 9139 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|1,0,1]=4 9140 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|1,0,1]=4 9141 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|1,0,1]=4 9142 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|0,0,1]=3 9143 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|0,0,1]=3 9144 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|0,0,1]=3 9145 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|0,1,1]=4 9146 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|0,1,1]=4 9147 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,1,0,0,0,0|1,0,1]=4 9148 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,1,0,0,0,0|1,0,1]=4 9149 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,1,0,0,0,0|1,0,1]=4 9150 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,1,0,0,0,0|1,0,1]=4 9151 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,1,0,0,0,0|1,0,1]=4 9152 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,1,0,0,0,0|1,0,1]=4 9153 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,1,0,0,0,0|1,0,1]=4 9154 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,1,0,0,0,0|1,0,1]=4 9155 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,1,0,0,0,0|2,0,0]=4 9156 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,1,0,0,0,0|2,0,0]=4 9157 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,1,0,0,0,0|2,0,0]=4 9158 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,1,0,0,0,0|2,0,0]=4 9159 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|1,0,1]=4 9160 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|0,0,1]=3 9161 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|0,0,1]=3 9162 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,1,0,0,0,0|1,0,1]=4 9163 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,1,0,0,0,0|1,0,1]=4 9164 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,1,0,0,0,0|2,0,0]=4 9165 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,1,0,0,0,0|2,0,0]=4 9166 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|0,0,1]=3 9167 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|0,0,1]=3 9168 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|0,0,1]=3 9169 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|0,0,1]=3 9170 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,1,0,0,0,0|1,0,1]=4 9171 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,1,0,0,0,0|1,0,1]=4 9172 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,1,0,0,0,0|1,0,1]=4 9173 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,1,0,0,0,0|1,0,1]=4 9174 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,1,0,0,0,0|1,0,1]=4 9175 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|0,0,1]=3 9176 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|0,0,1]=3 9177 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|0,0,1]=3 9178 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|0,0,1]=3 9179 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|0,0,1]=3 9180 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|0,0,1]=3 9181 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|0,0,1]=3 9182 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|0,1,1]=4 9183 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|0,1,1]=4 9184 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,1,0,0,0,0|2,0,0]=4 9185 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,1,0,0,0,0|2,0,0]=4 9186 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,1,0,0,0,0|1,0,1]=4 9187 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,1,0,0,0,0|1,0,1]=4 9188 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,1,0,0,0,0|1,0,1]=4 9189 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,1,0,0,0,0|1,0,1]=4 9190 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,1,0,0,0,0|1,0,1]=4 9191 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,1,0,0,0,0|1,0,1]=4 9192 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,1,0,0,0,0|1,0,1]=4 9193 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,1,0,0,0,0|1,0,1]=4 9194 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,1,0,0,0,0|2,0,0]=4 9195 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,1,0,0,0,0|2,0,0]=4 9196 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,1,0,0,0,0|1,0,1]=4 9197 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,1,0,0,0,0|1,0,1]=4 9198 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [1,1,0,0,0,0|1,0,1]=4 9199 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,1,0,0,0,0|1,0,1]=4 9200 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [1,1,0,0,0,0|1,0,1]=4 9201 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [1,1,0,0,0,0|1,0,1]=4 9202 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|0,0,1]=3 9203 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|0,0,1]=3 9204 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,1,0,0,0,0|1,0,1]=4 9205 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,1,0,0,0,0|1,0,1]=4 9206 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [1,1,0,0,0,0|1,0,1]=4 9207 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,1,0,0,0,0|1,0,1]=4 9208 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,1,0,0,0,0|1,0,1]=4 9209 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|0,0,1]=3 9210 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|0,0,1]=3 9211 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,1,0,0,0,0|1,0,1]=4 9212 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,1,0,0,0,0|1,0,1]=4 9213 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 9214 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [1,1,0,0,0,0|1,0,1]=4 9215 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [1,1,0,0,0,0|1,0,1]=4 9216 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [1,1,0,0,0,0|1,0,1]=4 9217 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [1,1,0,0,0,0|1,0,1]=4 9218 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,1,0,0,0,0|1,0,1]=4 9219 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,1,0,0,0,0|1,0,1]=4 9220 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,1,0,0,0,0|1,0,1]=4 9221 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,1,0,0,0,0|1,0,1]=4 9222 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,1,0,0,0,0|1,0,1]=4 9223 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,1,0,0,0,0|1,0,1]=4 9224 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [1,1,0,0,0,0|1,0,1]=4 9225 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [1,1,0,0,0,0|1,0,1]=4 9226 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [1,1,0,0,0,0|1,0,1]=4 9227 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,1,0,0,0,0|1,0,1]=4 9228 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,1,0,0,0,0|1,0,1]=4 9229 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,1,0,0,0,0|1,0,1]=4 9230 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,1,0,0,0,0|1,0,1]=4 9231 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|2,0,0]=4 9232 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|2,0,0]=4 9233 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|2,0,0]=4 9234 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,1,0,0,0,0|0,0,1]=3 9235 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,1,0,0,0,0|1,0,1]=4 9236 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,1,0,0,0,0|1,0,1]=4 9237 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,1,0,0,0,0|1,0,1]=4 9238 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 9239 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 9240 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 9241 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|1,0,1]=4 9242 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,1,0,0,0,0|0,0,1]=3 9243 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,1,0,0,0,0|0,0,1]=3 9244 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,1,0,0,0,0|0,0,1]=3 9245 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,1,0,0,0,0|1,0,1]=4 9246 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,1,0,0,0,0|1,0,1]=4 9247 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,1,0,0,0,0|1,0,1]=4 9248 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,1,0,0,0,0|1,0,1]=4 9249 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,1,0,0,0,0|1,0,1]=4 9250 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,1,0,0,0,0|1,0,1]=4 9251 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,1,0,0,0,0|1,0,1]=4 9252 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,1,0,0,0,0|1,0,1]=4 9253 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,1,0,0,0,0|1,0,1]=4 9254 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,1,0,0,0,0|1,0,1]=4 9255 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,1,0,0,0,0|1,0,1]=4 9256 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,1,0,0,0,0|1,0,1]=4 9257 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,1,0,0,0,0|1,0,1]=4 9258 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,1,0,0,0,0|1,0,1]=4 9259 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,1,0,0,0,0|1,0,1]=4 9260 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,1,0,0,0,0|1,0,1]=4 9261 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,1,0,0,0,0|1,0,1]=4 9262 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,1,0,0,0,0|1,0,1]=4 9263 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,1,0,0,0,0|1,0,1]=4 9264 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|2,0,0]=4 9265 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|2,0,0]=4 9266 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,1,0,0,0,0|0,0,1]=3 9267 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,1,0,0,0,0|0,0,1]=3 9268 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,1,0,0,0,0|1,0,1]=4 9269 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,1,0,0,0,0|1,0,1]=4 9270 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,1,0,0,0,0|1,0,1]=4 9271 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,1,0,0,0,0|1,0,1]=4 9272 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [1,1,0,0,0,0|1,0,1]=4 9273 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [1,1,0,0,0,0|1,0,1]=4 9274 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [1,1,0,0,0,0|1,0,1]=4 9275 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [1,1,0,0,0,0|1,0,1]=4 9276 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [1,1,0,0,0,0|1,0,1]=4 9277 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [1,1,0,0,0,0|1,0,1]=4 9278 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [1,1,0,0,0,0|1,0,1]=4 9279 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 9280 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 9281 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,1,0,0,0,0|1,0,1]=4 9282 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 9283 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 9284 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [1,1,0,0,0,0|1,0,1]=4 9285 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,1,0,0,0,0|0,0,1]=3 9286 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,1,0,0,0,0|0,0,1]=3 9287 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,1,0,0,0,0|0,0,1]=3 9288 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,1,0,0,0,0|0,0,1]=3 9289 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,1,0,0,0,0|0,0,1]=3 9290 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,1,0,0,0,0|0,0,1]=3 9291 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,1,0,0,0,0|1,0,1]=4 9292 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,1,0,0,0,0|1,0,1]=4 9293 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,1,0,0,0,0|1,0,1]=4 9294 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,1,0,0,0,0|1,0,1]=4 9295 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,1,0,0,0,0|1,0,1]=4 9296 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,1,0,0,0,0|1,0,1]=4 9297 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,1,0,0,0,0|1,0,1]=4 9298 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,1,0,0,0,0|1,0,1]=4 9299 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,1,0,0,0,0|1,0,1]=4 9300 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [1,1,0,0,0,0|1,0,1]=4 9301 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [1,1,0,0,0,0|1,0,1]=4 9302 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [1,1,0,0,0,0|1,0,1]=4 9303 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [1,1,0,0,0,0|1,0,1]=4 9304 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [1,1,0,0,0,0|1,0,1]=4 9305 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [1,1,0,0,0,0|1,0,1]=4 9306 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [1,1,0,0,0,0|1,0,1]=4 9307 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,1,0,0,0,0|1,0,1]=4 9308 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,1,0,0,0,0|1,0,1]=4 9309 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,1,0,0,0,0|1,0,1]=4 9310 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,1,0,0,0,0|1,0,1]=4 9311 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,1,0,0,0,0|1,0,1]=4 9312 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,1,0,0,0,0|1,0,1]=4 9313 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,1,0,0,0,0|1,0,1]=4 9314 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,1,0,0,0,0|1,0,1]=4 9315 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,1,0,0,0,0|1,0,1]=4 9316 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,1,0,0,0,0|1,0,1]=4 9317 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,1,0,0,0,0|1,0,1]=4 9318 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [1,1,0,0,0,0|1,0,1]=4 9319 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [1,1,0,0,0,0|1,0,1]=4 9320 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,1,0,0,0,0|1,0,1]=4 9321 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,1,0,0,0,0|1,0,1]=4 9322 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [1,1,0,0,0,0|1,0,1]=4 9323 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [1,1,0,0,0,0|1,0,1]=4 9324 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [1,1,0,0,0,0|1,0,1]=4 9325 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [1,1,0,0,0,0|1,0,1]=4 9326 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [1,1,0,0,0,0|1,0,1]=4 9327 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,1,0,0,0,0|1,0,1]=4 9328 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,1,0,0,0,0|1,0,1]=4 9329 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,1,0,0,0,0|1,0,1]=4 9330 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [1,1,0,0,0,0|1,0,1]=4 9331 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [1,1,0,0,0,0|1,0,1]=4 9332 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [1,1,0,0,0,0|1,0,1]=4 9333 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [1,1,0,0,0,0|1,0,1]=4 9334 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [1,1,0,0,0,0|1,0,1]=4 9335 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [1,1,0,0,0,0|1,0,1]=4 9336 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [1,1,0,0,0,0|1,0,1]=4 9337 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [1,1,0,0,0,0|1,0,1]=4 9338 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [1,1,0,0,0,0|1,0,1]=4 9339 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [1,1,0,0,0,0|1,0,1]=4 9340 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,1,0,0,0,0|1,0,1]=4 9341 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [1,1,0,0,0,0|1,0,1]=4 9342 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [1,1,0,0,0,0|1,0,1]=4 9343 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [1,1,0,0,0,0|1,0,1]=4 9344 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [1,1,0,0,0,0|1,0,1]=4 9345 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [1,1,0,0,0,0|1,0,1]=4 9346 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [1,1,0,0,0,0|1,0,1]=4 9347 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [1,1,0,0,0,0|1,0,1]=4 9348 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [1,1,0,0,0,0|1,0,1]=4 9349 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [1,1,0,0,0,0|1,0,1]=4 9350 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,1,0,0,0,0|1,0,1]=4 9351 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,1,0,0,0,0|1,0,1]=4 9352 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [1,1,0,0,0,0|1,0,1]=4 9353 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [1,1,0,0,0,0|1,0,1]=4 9354 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,1,0,0,0,0|1,0,1]=4 9355 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,1,0,0,0,0|1,0,1]=4 9356 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,1,0,0,0,0|1,0,1]=4 9357 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,1,0,0,0,0|1,0,1]=4 9358 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,1,0,0,0,0|1,0,1]=4 9359 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,1,0,0,0,0|1,0,1]=4 9360 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,1,0,0,0,0|1,0,1]=4 9361 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,1,0,0,0,0|1,0,1]=4 9362 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,1,0,0,0,0|1,0,1]=4 9363 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,1,0,0,0,0|1,0,1]=4 9364 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,1,0,0,0,0|1,0,1]=4 9365 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,1,0,0,0,0|1,0,1]=4 9366 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,1,0,0,0,0|1,0,1]=4 9367 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,1,0,0,0,0|1,0,1]=4 9368 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [1,1,0,0,0,0|1,0,1]=4 9369 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [1,1,0,0,0,0|1,0,1]=4 9370 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,1,0,0,0,0|1,0,1]=4 9371 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,1,0,0,0,0|1,0,1]=4 9372 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,1,0,0,0,0|1,0,1]=4 9373 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [1,1,0,0,0,0|1,0,1]=4 9374 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [1,1,0,0,0,0|1,0,1]=4 9375 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,1,0,0,0,0|1,0,1]=4 9376 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,1,0,0,0,0|1,0,1]=4 9377 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,1,0,0,0,0|0,1,1]=4 9378 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,1,0,0,0,0|0,1,1]=4 9379 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,1,0,0,0,0|1,0,1]=4 9380 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,1,0,0,0,0|1,0,1]=4 9381 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,1,0,0,0,0|1,0,1]=4 9382 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 9383 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 9384 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,1,0,0,0,0|0,0,1]=3 9385 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,1,0,0,0,0|0,0,1]=3 9386 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,1,0,0,0,0|0,0,1]=3 9387 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,1,0,0,0,0|0,0,1]=3 9388 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,1,0,0,0,0|0,0,1]=3 9389 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,1,0,0,0,0|1,0,1]=4 9390 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,1,0,0,0,0|0,1,1]=4 9391 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,1,0,0,0,0|0,1,1]=4 9392 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|1,0,1]=4 9393 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [1,1,0,0,0,0|2,0,0]=4 9394 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [1,1,0,0,0,0|2,0,0]=4 9395 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [1,1,0,0,0,0|2,0,0]=4 9396 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [1,1,0,0,0,0|2,0,0]=4 9397 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [1,1,0,0,0,0|2,0,0]=4 9398 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [1,1,0,0,0,0|2,0,0]=4 9399 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|1,0,1]=4 9400 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|1,0,1]=4 9401 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [1,1,0,0,0,0|2,0,0]=4 9402 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [1,1,0,0,0,0|2,0,0]=4 9403 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [1,1,0,0,0,0|2,0,0]=4 9404 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [1,1,0,0,0,0|2,0,0]=4 9405 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [1,1,0,0,0,0|2,0,0]=4 9406 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [1,1,0,0,0,0|2,0,0]=4 9407 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|0,0,2]=4 9408 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|0,0,2]=4 9409 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [1,1,0,0,0,0|1,0,1]=4 9410 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [1,1,0,0,0,0|1,0,1]=4 9411 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [1,1,0,0,0,0|1,0,1]=4 9412 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [1,1,0,0,0,0|1,0,1]=4 9413 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [1,1,0,0,0,0|1,0,1]=4 9414 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [1,1,0,0,0,0|1,0,1]=4 9415 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [1,1,0,0,0,0|1,0,1]=4 9416 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [1,1,0,0,0,0|1,0,1]=4 9417 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,1,0,0,0,0|0,0,2]=4 9418 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|0,0,2]=4 9419 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|0,0,2]=4 9420 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [1,1,0,0,0,0|1,0,1]=4 9421 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [1,1,0,0,0,0|1,0,1]=4 9422 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [1,1,0,0,0,0|1,0,1]=4 9423 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [1,1,0,0,0,0|1,0,1]=4 9424 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [1,1,0,0,0,0|1,0,1]=4 9425 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [1,1,0,0,0,0|1,0,1]=4 9426 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [1,1,0,0,0,0|1,0,1]=4 9427 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [1,1,0,0,0,0|1,0,1]=4 9428 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [1,1,0,0,0,0|1,0,1]=4 9429 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [1,1,0,0,0,0|1,0,1]=4 9430 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [1,1,0,0,0,0|1,0,1]=4 9431 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [1,1,0,0,0,0|1,0,1]=4 9432 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [1,1,0,0,0,0|1,0,1]=4 9433 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [1,1,0,0,0,0|1,0,1]=4 9434 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|1,0,1]=4 9435 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|1,0,1]=4 9436 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|0,0,1]=3 9437 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|0,0,1]=3 9438 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 9439 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 9440 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 9441 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 9442 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [1,1,0,0,0,0|2,0,0]=4 9443 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 9444 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 9445 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 9446 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 9447 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [1,1,0,0,0,0|2,0,0]=4 9448 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [1,1,0,0,0,0|2,0,0]=4 9449 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [1,1,0,0,0,0|2,0,0]=4 9450 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [1,1,0,0,0,0|2,0,0]=4 9451 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [1,1,0,0,0,0|2,0,0]=4 9452 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [1,1,0,0,0,0|1,0,0]=3 9453 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [1,1,0,0,0,0|1,0,0]=3 9454 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [1,1,0,0,0,0|1,0,0]=3 9455 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [1,1,0,0,0,0|1,0,1]=4 9456 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,1,0,0,0,0|1,0,0]=3 9457 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [1,1,0,0,0,0|1,0,0]=3 9458 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [1,1,0,0,0,0|1,0,0]=3 9459 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [1,1,0,0,0,0|1,0,1]=4 9460 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [1,1,0,0,0,0|1,0,0]=3 9461 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [1,1,0,0,0,0|1,0,1]=4 9462 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [1,1,0,0,0,0|1,0,1]=4 9463 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [1,1,0,0,0,0|1,0,1]=4 9464 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [1,1,0,0,0,0|1,0,0]=3 9465 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [1,1,0,0,0,0|1,0,0]=3 9466 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [1,1,0,0,0,0|1,0,1]=4 9467 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [1,1,0,0,0,0|1,0,1]=4 9468 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [1,1,0,0,0,0|1,0,1]=4 9469 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [1,1,0,0,0,0|1,0,1]=4 9470 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [1,1,0,0,0,0|2,0,0]=4 9471 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [1,1,0,0,0,0|2,0,0]=4 9472 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [1,1,0,0,0,0|2,0,0]=4 9473 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [1,1,0,0,0,0|2,0,0]=4 9474 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [1,1,0,0,0,0|2,0,0]=4 9475 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [1,1,0,0,0,0|2,0,0]=4 9476 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [1,1,0,0,0,0|2,0,0]=4 9477 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [1,1,0,0,0,0|2,0,0]=4 9478 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [1,1,0,0,0,0|2,0,0]=4 9479 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [1,1,0,0,0,0|2,0,0]=4 9480 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [1,1,0,0,0,0|2,0,0]=4 9481 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [1,1,0,0,0,0|2,0,0]=4 9482 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [1,1,0,0,0,0|2,0,0]=4 9483 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 9484 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 9485 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [1,1,0,0,0,0|2,0,0]=4 9486 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [1,1,0,0,0,0|2,0,0]=4 9487 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [1,1,0,0,0,0|2,0,0]=4 9488 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [1,1,0,0,0,0|2,0,0]=4 9489 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [1,1,0,0,0,0|2,0,0]=4 9490 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [1,1,0,0,0,0|1,0,1]=4 9491 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [1,1,0,0,0,0|1,0,1]=4 9492 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [1,1,0,0,0,0|2,0,0]=4 9493 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [1,1,0,0,0,0|2,0,0]=4 9494 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [1,1,0,0,0,0|2,0,0]=4 9495 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [1,1,0,0,0,0|2,0,0]=4 9496 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [1,1,0,0,0,0|2,0,0]=4 9497 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [1,1,0,0,0,0|1,0,1]=4 9498 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [1,1,0,0,0,0|1,0,1]=4 9499 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [1,1,0,0,0,0|1,0,1]=4 9500 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [1,1,0,0,0,0|1,0,1]=4 9501 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [1,1,0,0,0,0|1,0,1]=4 9502 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [1,1,0,0,0,0|1,0,1]=4 9503 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [1,1,0,0,0,0|1,0,1]=4 9504 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [1,1,0,0,0,0|1,0,1]=4 9505 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [1,1,0,0,0,0|1,0,1]=4 9506 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [1,1,0,0,0,0|0,0,1]=3 9507 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [1,1,0,0,0,0|0,0,1]=3 9508 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [1,1,0,0,0,0|2,0,0]=4 9509 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [1,1,0,0,0,0|1,0,1]=4 9510 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [1,1,0,0,0,0|2,0,0]=4 9511 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [1,1,0,0,0,0|2,0,0]=4 9512 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [1,1,0,0,0,0|2,0,0]=4 9513 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [1,1,0,0,0,0|2,0,0]=4 9514 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [1,1,0,0,0,0|1,0,1]=4 9515 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [1,1,0,0,0,0|1,0,1]=4 9516 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [1,1,0,0,0,0|1,0,1]=4 9517 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [1,1,0,0,0,0|2,0,0]=4 9518 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [1,1,0,0,0,0|2,0,0]=4 9519 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [1,1,0,0,0,0|2,0,0]=4 9520 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [1,1,0,0,0,0|2,0,0]=4 9521 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [1,1,0,0,0,0|2,0,0]=4 9522 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [1,1,0,0,0,0|2,0,0]=4 9523 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [1,1,0,0,0,0|1,0,1]=4 9524 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 9525 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 9526 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 9527 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 9528 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 9529 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 9530 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 9531 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 9532 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 9533 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 9534 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [1,1,0,0,0,0|2,0,0]=4 9535 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [1,1,0,0,0,0|2,0,0]=4 9536 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [1,1,0,0,0,0|2,0,0]=4 9537 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [1,1,0,0,0,0|1,0,0]=3 9538 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [1,1,0,0,0,0|2,0,0]=4 9539 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [1,1,0,0,0,0|2,0,0]=4 9540 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [1,1,0,0,0,0|2,0,0]=4 9541 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [1,1,0,0,0,0|1,0,0]=3 9542 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [1,1,0,0,0,0|1,0,0]=3 9543 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [1,1,0,0,0,0|2,0,0]=4 9544 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [1,1,0,0,0,0|2,0,0]=4 9545 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [1,1,0,0,0,0|2,0,0]=4 9546 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [1,1,0,0,0,0|1,0,0]=3 9547 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [1,1,0,0,0,0|2,0,0]=4 9548 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [1,1,0,0,0,0|2,0,0]=4 9549 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [1,1,0,0,0,0|1,0,0]=3 9550 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [1,1,0,0,0,0|2,0,0]=4 9551 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [1,1,0,0,0,0|2,0,0]=4 9552 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [1,1,0,0,0,0|1,0,0]=3 9553 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [1,1,0,0,0,0|1,0,0]=3 9554 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [1,1,0,0,0,0|2,0,0]=4 9555 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [1,1,0,0,0,0|2,0,0]=4 9556 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [1,1,0,0,0,0|2,0,0]=4 9557 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [1,1,0,0,0,0|1,0,0]=3 9558 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [1,1,0,0,0,0|2,0,0]=4 9559 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [1,1,0,0,0,0|2,0,0]=4 9560 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [1,1,0,0,0,0|2,0,0]=4 9561 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [1,1,0,0,0,0|1,0,0]=3 9562 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [1,1,0,0,0,0|1,0,0]=3 9563 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [1,1,0,0,0,0|2,0,0]=4 9564 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [1,1,0,0,0,0|2,0,0]=4 9565 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [1,1,0,0,0,0|1,0,0]=3 9566 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [1,1,0,0,0,0|1,0,0]=3 9567 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [1,1,0,0,0,0|1,0,0]=3 9568 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [1,1,0,0,0,0|2,0,0]=4 9569 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [1,1,0,0,0,0|2,0,0]=4 9570 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [1,1,0,0,0,0|2,0,0]=4 9571 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [1,1,0,0,0,0|1,0,0]=3 9572 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [1,1,0,0,0,0|2,0,0]=4 9573 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [1,1,0,0,0,0|2,0,0]=4 9574 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [1,1,0,0,0,0|1,0,0]=3 9575 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [1,1,0,0,0,0|1,0,0]=3 9576 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [1,1,0,0,0,0|1,0,1]=4 9577 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [1,1,0,0,0,0|1,0,1]=4 9578 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [1,1,0,0,0,0|1,0,1]=4 9579 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [1,1,0,0,0,0|1,0,1]=4 9580 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [1,1,0,0,0,0|1,0,1]=4 9581 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [1,1,0,0,0,0|1,0,1]=4 9582 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [1,1,0,0,0,0|2,0,0]=4 9583 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [1,1,0,0,0,0|2,0,0]=4 9584 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [1,1,0,0,0,0|2,0,0]=4 9585 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [1,1,0,0,0,0|2,0,0]=4 9586 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [1,1,0,0,0,0|2,0,0]=4 9587 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [1,1,0,0,0,0|2,0,0]=4 9588 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [1,1,0,0,0,0|2,0,0]=4 9589 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [1,1,0,0,0,0|2,0,0]=4 9590 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [1,1,0,0,0,0|2,0,0]=4 9591 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [1,1,0,0,0,0|2,0,0]=4 9592 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [1,1,0,0,0,0|2,0,0]=4 9593 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [1,1,0,0,0,0|2,0,0]=4 9594 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [1,1,0,0,0,0|2,0,0]=4 9595 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [1,1,0,0,0,0|2,0,0]=4 9596 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [1,1,0,0,0,0|2,0,0]=4 9597 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [1,1,0,0,0,0|2,0,0]=4 9598 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [1,1,0,0,0,0|2,0,0]=4 9599 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [1,1,0,0,0,0|2,0,0]=4 9600 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [1,1,0,0,0,0|2,0,0]=4 9601 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [1,1,0,0,0,0|2,0,0]=4 9602 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [1,1,0,0,0,0|2,0,0]=4 9603 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [1,1,0,0,0,0|2,0,0]=4 9604 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [1,1,0,0,0,0|2,0,0]=4 9605 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [1,1,0,0,0,0|2,0,0]=4 9606 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [1,1,0,0,0,0|2,0,0]=4 9607 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [1,1,0,0,0,0|2,0,0]=4 9608 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [1,1,0,0,0,0|1,0,1]=4 9609 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [1,1,0,0,0,0|1,0,1]=4 9610 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [1,1,0,0,0,0|2,0,0]=4 9611 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [1,1,0,0,0,0|2,0,0]=4 9612 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [1,1,0,0,0,0|1,0,1]=4 9613 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [1,1,0,0,0,0|1,0,1]=4 9614 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [1,1,0,0,0,0|1,0,1]=4 9615 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [1,1,0,0,0,0|1,0,1]=4 9616 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [1,1,0,0,0,0|1,0,1]=4 9617 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,1,0,0,0,0|1,0,1]=4 9618 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,1,0,0,0,0|1,0,0]=3 9619 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,1,0,0,0,0|1,0,0]=3 9620 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [1,1,0,0,0,0|2,0,0]=4 9621 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [1,1,0,0,0,0|2,0,0]=4 9622 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [1,1,0,0,0,0|1,0,0]=3 9623 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 9624 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 9625 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 9626 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [1,1,0,0,0,0|2,0,0]=4 9627 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [1,1,0,0,0,0|2,0,0]=4 9628 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [1,1,0,0,0,0|2,0,0]=4 9629 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [1,1,0,0,0,0|2,0,0]=4 9630 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [1,1,0,0,0,0|2,0,0]=4 9631 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [1,1,0,0,0,0|2,0,0]=4 9632 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [1,1,0,0,0,0|1,0,1]=4 9633 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [1,1,0,0,0,0|1,0,1]=4 9634 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [1,1,0,0,0,0|1,0,1]=4 9635 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [1,1,0,0,0,0|1,0,1]=4 9636 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [1,1,0,0,0,0|2,0,0]=4 9637 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [1,1,0,0,0,0|2,0,0]=4 9638 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [1,1,0,0,0,0|2,0,0]=4 9639 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [1,1,0,0,0,0|2,0,0]=4 9640 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [1,1,0,0,0,0|1,0,0]=3 9641 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [1,1,0,0,0,0|1,0,0]=3 9642 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [1,1,0,0,0,0|2,0,0]=4 9643 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [1,1,0,0,0,0|2,0,0]=4 9644 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [1,1,0,0,0,0|2,0,0]=4 9645 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [1,1,0,0,0,0|2,0,0]=4 9646 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [1,1,0,0,0,0|2,0,0]=4 9647 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [1,1,0,0,0,0|2,0,0]=4 9648 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [1,1,0,0,0,0|2,0,0]=4 9649 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [1,1,0,0,0,0|1,0,0]=3 9650 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [1,1,0,0,0,0|1,0,0]=3 9651 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [1,1,0,0,0,0|1,0,0]=3 9652 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [1,1,0,0,0,0|2,0,0]=4 9653 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [1,1,0,0,0,0|2,0,0]=4 9654 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [1,1,0,0,0,0|2,0,0]=4 9655 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [1,1,0,0,0,0|2,0,0]=4 9656 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [1,1,0,0,0,0|2,0,0]=4 9657 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [1,1,0,0,0,0|2,0,0]=4 9658 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 9659 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 9660 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 9661 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [1,1,0,0,0,0|2,0,0]=4 9662 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [1,1,0,0,0,0|2,0,0]=4 9663 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [1,1,0,0,0,0|1,0,0]=3 9664 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [1,1,0,0,0,0|1,0,0]=3 9665 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [1,1,0,0,0,0|2,0,0]=4 9666 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [1,1,0,0,0,0|2,0,0]=4 9667 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [1,1,0,0,0,0|2,0,0]=4 9668 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [1,1,0,0,0,0|2,0,0]=4 9669 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [1,1,0,0,0,0|1,0,1]=4 9670 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [1,1,0,0,0,0|1,0,0]=3 9671 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [1,1,0,0,0,0|1,0,0]=3 9672 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [1,1,0,0,0,0|1,0,0]=3 9673 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [1,1,0,0,0,0|1,0,0]=3 9674 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [1,1,0,0,0,0|1,0,0]=3 9675 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [1,1,0,0,0,0|1,0,1]=4 9676 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [1,1,0,0,0,0|1,0,1]=4 9677 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [1,1,0,0,0,0|1,0,0]=3 9678 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [1,1,0,0,0,0|1,0,0]=3 9679 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [1,1,0,0,0,0|1,0,0]=3 9680 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [1,1,0,0,0,0|1,0,0]=3 9681 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [1,1,0,0,0,0|2,0,0]=4 9682 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [1,1,0,0,0,0|2,0,0]=4 9683 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [1,1,0,0,0,0|1,0,0]=3 9684 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [1,1,0,0,0,0|1,0,0]=3 9685 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [1,1,0,0,0,0|2,0,0]=4 9686 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [1,1,0,0,0,0|2,0,0]=4 9687 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [1,1,0,0,0,0|2,0,0]=4 9688 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [1,1,0,0,0,0|2,0,0]=4 9689 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [1,1,0,0,0,0|2,0,0]=4 9690 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [1,1,0,0,0,0|2,0,0]=4 9691 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [1,1,0,0,0,0|2,0,0]=4 9692 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [1,1,0,0,0,0|2,0,0]=4 9693 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [1,1,0,0,0,0|2,0,0]=4 9694 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [1,1,0,0,0,0|2,0,0]=4 9695 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [1,1,0,0,0,0|2,0,0]=4 9696 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [1,1,0,0,0,0|2,0,0]=4 9697 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [1,1,0,0,0,0|2,0,0]=4 9698 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [1,1,0,0,0,0|2,0,0]=4 9699 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [1,1,0,0,0,0|2,0,0]=4 9700 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [1,1,0,0,0,0|2,0,0]=4 9701 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [1,1,0,0,0,0|2,0,0]=4 9702 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [1,1,0,0,0,0|2,0,0]=4 9703 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [1,1,0,0,0,0|2,0,0]=4 9704 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [1,1,0,0,0,0|2,0,0]=4 9705 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [1,1,0,0,0,0|2,0,0]=4 9706 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [1,1,0,0,0,0|2,0,0]=4 9707 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [1,1,0,0,0,0|2,0,0]=4 9708 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [1,1,0,0,0,0|2,0,0]=4 9709 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [1,1,0,0,0,0|2,0,0]=4 9710 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [1,1,0,0,0,0|2,0,0]=4 9711 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [1,1,0,0,0,0|2,0,0]=4 9712 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [1,1,0,0,0,0|2,0,0]=4 9713 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [1,1,0,0,0,0|2,0,0]=4 9714 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [1,1,0,0,0,0|2,0,0]=4 9715 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [1,1,0,0,0,0|2,0,0]=4 9716 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [1,1,0,0,0,0|2,0,0]=4 9717 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [1,1,0,0,0,0|2,0,0]=4 9718 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [1,1,0,0,0,0|2,0,0]=4 9719 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [1,1,0,0,0,0|2,0,0]=4 9720 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [1,1,0,0,0,0|2,0,0]=4 9721 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [1,1,0,0,0,0|2,0,0]=4 9722 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [1,1,0,0,0,0|2,0,0]=4 9723 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [1,1,0,0,0,0|2,0,0]=4 9724 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [1,1,0,0,0,0|2,0,0]=4 9725 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [1,1,0,0,0,0|2,0,0]=4 9726 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [1,1,0,0,0,0|2,0,0]=4 9727 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [1,1,0,0,0,0|2,0,0]=4 9728 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [1,1,0,0,0,0|2,0,0]=4 9729 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [1,1,0,0,0,0|2,0,0]=4 9730 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [1,1,0,0,0,0|2,0,0]=4 9731 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [1,1,0,0,0,0|2,0,0]=4 9732 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [1,1,0,0,0,0|2,0,0]=4 9733 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [1,1,0,0,0,0|1,0,1]=4 9734 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [1,1,0,0,0,0|0,0,1]=3 9735 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [1,1,0,0,0,0|1,0,1]=4 9736 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [1,1,0,0,0,0|1,0,1]=4 9737 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [1,1,0,0,0,0|2,0,0]=4 9738 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [1,1,0,0,0,0|2,0,0]=4 9739 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [1,1,0,0,0,0|2,0,0]=4 9740 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [1,1,0,0,0,0|1,0,0]=3 9741 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [1,1,0,0,0,0|2,0,0]=4 9742 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [1,1,0,0,0,0|2,0,0]=4 9743 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [1,1,0,0,0,0|2,0,0]=4 9744 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [1,1,0,0,0,0|2,0,0]=4 9745 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [1,1,0,0,0,0|2,0,0]=4 9746 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [1,1,0,0,0,0|1,0,0]=3 9747 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [1,1,0,0,0,0|1,0,0]=3 9748 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [1,1,0,0,0,0|2,0,0]=4 9749 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [1,1,0,0,0,0|2,0,0]=4 9750 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [1,1,0,0,0,0|2,0,0]=4 9751 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [1,1,0,0,0,0|2,0,0]=4 9752 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [1,1,0,0,0,0|1,0,0]=3 9753 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [1,1,0,0,0,0|1,0,0]=3 9754 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [1,1,0,0,0,0|2,0,0]=4 9755 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [1,1,0,0,0,0|2,0,0]=4 9756 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [1,1,0,0,0,0|2,0,0]=4 9757 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [1,1,0,0,0,0|2,0,0]=4 9758 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [1,1,0,0,0,0|1,0,0]=3 9759 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [1,1,0,0,0,0|1,0,0]=3 9760 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [1,1,0,0,0,0|1,0,0]=3 9761 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [1,1,0,0,0,0|1,0,1]=4 9762 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [1,1,0,0,0,0|1,0,1]=4 9763 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [1,1,0,0,0,0|1,0,1]=4 9764 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [1,1,0,0,0,0|1,0,1]=4 9765 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [1,1,0,0,0,0|1,0,1]=4 9766 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [1,1,0,0,0,0|1,0,1]=4 9767 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [1,1,0,0,0,0|1,0,1]=4 9768 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [1,1,0,0,0,0|1,0,1]=4 9769 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [1,1,0,0,0,0|1,0,1]=4 9770 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [1,1,0,0,0,0|1,0,1]=4 9771 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [1,1,0,0,0,0|1,0,1]=4 9772 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [1,1,0,0,0,0|1,0,1]=4 9773 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [1,1,0,0,0,0|2,0,0]=4 9774 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [1,1,0,0,0,0|2,0,0]=4 9775 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [1,1,0,0,0,0|2,0,0]=4 9776 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [1,1,0,0,0,0|2,0,0]=4 9777 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [1,1,0,0,0,0|2,0,0]=4 9778 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [1,1,0,0,0,0|2,0,0]=4 9779 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [1,1,0,0,0,0|2,0,0]=4 9780 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [1,1,0,0,0,0|2,0,0]=4 9781 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [1,1,0,0,0,0|2,0,0]=4 9782 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [1,1,0,0,0,0|2,0,0]=4 9783 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [1,1,0,0,0,0|1,0,1]=4 9784 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [1,1,0,0,0,0|2,0,0]=4 9785 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [1,1,0,0,0,0|2,0,0]=4 9786 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [1,1,0,0,0,0|2,0,0]=4 9787 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [1,1,0,0,0,0|2,0,0]=4 9788 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [1,1,0,0,0,0|2,0,0]=4 9789 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,2,0,0,0,0|1,0,1]=4 9790 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,2,0,0,0,0|1,0,1]=4 9791 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,2,0,0,0,0|1,0,1]=4 9792 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,2,0,0,0,0|1,0,1]=4 9793 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [0,2,0,0,0,0|1,0,1]=4 9794 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,2,0,0,0,0|1,0,1]=4 9795 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,2,0,0,0,0|1,0,1]=4 9796 B12R0.1 C#CCCCCCCC(=O)C#CC 1458a_100000763181_100012276617 [0,2,0,0,0,0|1,0,1]=4 9797 B12R0.1 C#CCCCCCCC(=O)C=CC 1458a_100000210699_100012276617 [0,2,0,0,0,0|1,0,1]=4 9798 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,2,0,0,0,0|1,0,1]=4 9799 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,2,0,0,0,0|1,0,1]=4 9800 B12R0.1 C#CCCCCCCC(=O)CCF 1458a_100000034748_100011217306 [0,2,0,0,0,0|1,0,1]=4 9801 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,2,0,0,0,0|1,0,1]=4 9802 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,2,0,0,0,0|1,0,1]=4 9803 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,2,0,0,0,0|0,0,1]=3 9804 B12R0.1 C#CCCCCCCC(=O)CSC 1458a_100000184570_100012276617 [0,2,0,0,0,0|0,1,1]=4 9805 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [0,2,0,0,0,0|1,0,1]=4 9806 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [0,2,0,0,0,0|1,0,1]=4 9807 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [0,2,0,0,0,0|1,0,1]=4 9808 B12R0.1 C#CCCCCCCC(=O)NNC 22a_100016993582_100000034748 [0,2,0,0,0,0|1,0,1]=4 9809 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [0,2,0,0,0,0|0,0,2]=4 9810 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [0,2,0,0,0,0|0,0,2]=4 9811 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,2,0,0,0,0|0,0,2]=4 9812 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,2,0,0,0,0|0,0,2]=4 9813 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [0,2,0,0,0,0|0,0,2]=4 9814 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [0,2,0,0,0,0|0,0,2]=4 9815 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [0,2,0,0,0,0|0,0,2]=4 9816 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [0,2,0,0,0,0|0,0,2]=4 9817 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [0,2,0,0,0,0|0,0,2]=4 9818 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [0,2,0,0,0,0|0,0,2]=4 9819 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [0,2,0,0,0,0|0,0,2]=4 9820 B12R0.1 C#CCCNCCCC(=O)OCC 34a_100000755551_100009991533 [0,2,0,0,0,0|0,0,2]=4 9821 B12R0.1 C#CCCOCCCC(=O)OCC 34a_100011215631_100009991533 [0,2,0,0,0,0|0,0,2]=4 9822 B12R0.1 C#CCCOCCCC(=O)OCC 7a_100012001163_100000688953 [0,2,0,0,0,0|0,0,2]=4 9823 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100000688953_100009991533 [0,2,0,0,0,0|0,0,2]=4 9824 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100009991533_100000688953 [0,2,0,0,0,0|0,0,2]=4 9825 B12R0.1 C#CCNCCCCC(=O)OCC 34a_100000212058_100000750268 [0,2,0,0,0,0|0,0,2]=4 9826 B12R0.1 C#CCOCCCCC(=O)OCC 34a_100000210247_100000750268 [0,2,0,0,0,0|0,0,2]=4 9827 B12R0.1 C#CCSCCCCC(=O)OCC 62a_100000038162_100000750268 [0,2,0,0,0,0|0,0,2]=4 9828 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [0,2,0,0,0,0|0,0,2]=4 9829 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [0,2,0,0,0,0|0,0,2]=4 9830 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [0,2,0,0,0,0|0,0,2]=4 9831 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100009991533_100102629194 [0,2,0,0,0,0|0,0,2]=4 9832 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100102629194_100009991533 [0,2,0,0,0,0|0,0,2]=4 9833 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|1,0,1]=4 9834 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|1,0,1]=4 9835 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,2,0,0,0,0|1,0,1]=4 9836 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,2,0,0,0,0|1,0,1]=4 9837 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,2,0,0,0,0|1,0,1]=4 9838 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 9839 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 9840 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 9841 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 9842 B12R0.1 C=CCCCCCCC(=O)C#CC 1458a_100000763181_100011215473 [0,2,0,0,0,0|1,0,1]=4 9843 B12R0.1 C=CCCCCCCC(=O)C=CC 1458a_100000210699_100011215473 [0,2,0,0,0,0|1,0,1]=4 9844 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,2,0,0,0,0|1,0,1]=4 9845 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,2,0,0,0,0|1,0,1]=4 9846 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,2,0,0,0,0|1,0,1]=4 9847 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,2,0,0,0,0|1,0,1]=4 9848 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,2,0,0,0,0|1,0,1]=4 9849 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,2,0,0,0,0|0,0,1]=3 9850 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,2,0,0,0,0|0,1,1]=4 9851 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 9852 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 9853 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 9854 B12R0.1 C=CCCCCCCC(=O)NNC 22a_100016993582_100011809334 [0,2,0,0,0,0|1,0,1]=4 9855 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [0,2,0,0,0,0|0,0,2]=4 9856 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [0,2,0,0,0,0|0,0,2]=4 9857 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,2,0,0,0,0|0,0,2]=4 9858 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,2,0,0,0,0|0,0,2]=4 9859 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [0,2,0,0,0,0|0,0,2]=4 9860 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [0,2,0,0,0,0|0,0,2]=4 9861 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [0,2,0,0,0,0|0,0,2]=4 9862 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [0,2,0,0,0,0|0,0,2]=4 9863 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [0,2,0,0,0,0|0,0,2]=4 9864 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [0,2,0,0,0,0|0,0,2]=4 9865 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [0,2,0,0,0,0|0,0,2]=4 9866 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [0,2,0,0,0,0|0,0,2]=4 9867 B12R0.1 C=CCCNCCCC(=O)OCC 2230a_100015191253_100009991533 [0,2,0,0,0,0|0,0,2]=4 9868 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [0,2,0,0,0,0|0,0,2]=4 9869 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [0,2,0,0,0,0|0,0,2]=4 9870 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100000754431_100009991533 [0,2,0,0,0,0|0,0,2]=4 9871 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100009991533_100000754431 [0,2,0,0,0,0|0,0,2]=4 9872 B12R0.1 C=CCNCCCCC(=O)OCC 2230a_100020586998_100000750268 [0,2,0,0,0,0|0,0,2]=4 9873 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [0,2,0,0,0,0|0,0,2]=4 9874 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000210623_100000750268 [0,2,0,0,0,0|0,0,2]=4 9875 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000750268_100000210623 [0,2,0,0,0,0|0,0,2]=4 9876 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,2,0,0,0,0|0,0,1]=3 9877 B12R0.1 C=COC(=O)CNCCCCCO 2230a_100000762737_100000036128 [0,2,0,0,0,0|1,0,1]=4 9878 B12R0.1 C=COC(=O)CNCCCCCO 34a_100000762737_100000036128 [0,2,0,0,0,0|1,0,1]=4 9879 B12R0.1 C=COC(=O)CNCCCOCC 2230a_100000210961_100000036128 [0,2,0,0,0,0|1,0,1]=4 9880 B12R0.1 C=COC(=O)CNCCCOCC 34a_100000210961_100000036128 [0,2,0,0,0,0|1,0,1]=4 9881 B12R0.1 C=COC(=O)CNCCOCCC 2230a_100161115042_100000036128 [0,2,0,0,0,0|1,0,1]=4 9882 B12R0.1 C=COC(=O)CNCCOCCC 34a_100161115042_100000036128 [0,2,0,0,0,0|1,0,1]=4 9883 B12R0.1 C=COC(=O)CNCCSCCC 2230a_100020603323_100000036128 [0,2,0,0,0,0|1,0,1]=4 9884 B12R0.1 C=COC(=O)COCCCCCBr 34a_100000746331_100000036128 [0,2,0,0,0,0|1,0,1]=4 9885 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,2,0,0,0,0|0,0,1]=3 9886 B12R0.1 C=COC(=O)COCCCCCCl 34a_100000746330_100000036128 [0,2,0,0,0,0|1,0,1]=4 9887 B12R0.1 C=COC(=O)COCCCCCI 34a_200012148887_100000036128 [0,2,0,0,0,0|1,0,1]=4 9888 B12R0.1 C=COC(=O)COCCCCCN 34a_100000762737_100000036128 [0,2,0,0,0,0|1,0,1]=4 9889 B12R0.1 C=COC(=O)COCCCCOC 34a_100000740925_100000036128 [0,2,0,0,0,0|1,0,1]=4 9890 B12R0.1 C=COC(=O)COCCCCSC 34a_100011217163_100000036128 [0,2,0,0,0,0|1,0,1]=4 9891 B12R0.1 C=COC(=O)COCCCOCC 34a_100000757476_100000036128 [0,2,0,0,0,0|1,0,1]=4 9892 B12R0.1 C=COC(=O)COCCCSCC 34a_100011216438_100000036128 [0,2,0,0,0,0|1,0,1]=4 9893 B12R0.1 C=COC(=O)COCCOCCC 34a_100000752267_100000036128 [0,2,0,0,0,0|1,0,1]=4 9894 B12R0.1 C=COC(=O)COCCSCCC 34a_200000230433_100000036128 [0,2,0,0,0,0|1,0,1]=4 9895 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,2,0,0,0,0|0,0,1]=3 9896 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,2,0,0,0,0|0,0,1]=3 9897 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000036128_100000729378 [0,2,0,0,0,0|1,0,1]=4 9898 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000729378_100000036128 [0,2,0,0,0,0|1,0,1]=4 9899 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000036128_100000746330 [0,2,0,0,0,0|1,0,1]=4 9900 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000746330_100000036128 [0,2,0,0,0,0|1,0,1]=4 9901 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000036128_100000730899 [0,2,0,0,0,0|1,0,1]=4 9902 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000730899_100000036128 [0,2,0,0,0,0|1,0,1]=4 9903 B12R0.1 C=COC(=O)CSCCCOCC 62a_100000036128_100012232248 [0,2,0,0,0,0|1,0,1]=4 9904 B12R0.1 C=COC(=O)CSCCCOCC 62a_100012232248_100000036128 [0,2,0,0,0,0|1,0,1]=4 9905 B12R0.1 C=COC(=O)CSCCOCCC 62a_100000036128_100011215938 [0,2,0,0,0,0|1,0,1]=4 9906 B12R0.1 C=COC(=O)CSCCOCCC 62a_100011215938_100000036128 [0,2,0,0,0,0|1,0,1]=4 9907 B12R0.1 C=COC(=O)CSCOCCCC 62a_100000036128_100011995733 [0,2,0,0,0,0|1,0,1]=4 9908 B12R0.1 C=COC(=O)CSCOCCCC 62a_100011995733_100000036128 [0,2,0,0,0,0|1,0,1]=4 9909 B12R0.1 CC#CC(=O)CC#CCCCCC 1458a_100000763181_100009816472 [0,2,0,0,0,0|1,0,1]=4 9910 B12R0.1 CC#CC(=O)CCCCCCC#N 1458a_100000763181_100009813337 [0,2,0,0,0,0|1,0,1]=4 9911 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,2,0,0,0,0|1,0,0]=3 9912 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,2,0,0,0,0|1,0,0]=3 9913 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,2,0,0,0,0|1,0,0]=3 9914 B12R0.1 CC#CC(=O)CCCOCCOC 1458a_100000763181_100011216529 [0,2,0,0,0,0|2,0,0]=4 9915 B12R0.1 CC#CC(=O)CCOCCOCC 1458a_100000763181_100011211534 [0,2,0,0,0,0|2,0,0]=4 9916 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [0,2,0,0,0,0|0,0,2]=4 9917 B12R0.1 CC#CCNCCCC(=O)OCC 2230a_100000685387_100009991533 [0,2,0,0,0,0|0,0,2]=4 9918 B12R0.1 CC#CCNCCCC(=O)OCC 34a_100000685387_100009991533 [0,2,0,0,0,0|0,0,2]=4 9919 B12R0.1 CC#CCOCCCC(=O)OCC 34a_100000761923_100009991533 [0,2,0,0,0,0|0,0,2]=4 9920 B12R0.1 CC#CCOCCCC(=O)OCC 7a_100012001163_100000748600 [0,2,0,0,0,0|0,0,2]=4 9921 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100000748600_100009991533 [0,2,0,0,0,0|0,0,2]=4 9922 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100009991533_100000748600 [0,2,0,0,0,0|0,0,2]=4 9923 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,2,0,0,0,0|0,0,2]=4 9924 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,2,0,0,0,0|0,0,2]=4 9925 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,2,0,0,0,0|0,0,2]=4 9926 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,2,0,0,0,0|0,0,2]=4 9927 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [0,2,0,0,0,0|0,0,2]=4 9928 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [0,2,0,0,0,0|0,0,2]=4 9929 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [0,2,0,0,0,0|0,0,2]=4 9930 B12R0.1 CC=CC(=O)CC#CCCCCC 1458a_100000210699_100009816472 [0,2,0,0,0,0|1,0,1]=4 9931 B12R0.1 CC=CC(=O)CCCCCCC#N 1458a_100000210699_100009813337 [0,2,0,0,0,0|1,0,1]=4 9932 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|1,0,0]=3 9933 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,2,0,0,0,0|1,0,0]=3 9934 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,2,0,0,0,0|1,0,0]=3 9935 B12R0.1 CC=CC(=O)CCCOCCOC 1458a_100000210699_100011216529 [0,2,0,0,0,0|2,0,0]=4 9936 B12R0.1 CC=CC(=O)CCOCCOCC 1458a_100000210699_100011211534 [0,2,0,0,0,0|2,0,0]=4 9937 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,2,0,0,0,0|1,0,0]=3 9938 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,2,0,0,0,0|1,0,0]=3 9939 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,2,0,0,0,0|1,0,0]=3 9940 B12R0.1 CC=CC(=O)NCCCCCCO 240690a_100000686447_100000210699 [0,2,0,0,0,0|2,0,0]=4 9941 B12R0.1 CC=CC(=O)NCCCCCOC 11a_100000747528_100000210699 [0,2,0,0,0,0|2,0,0]=4 9942 B12R0.1 CC=CC(=O)NCCCCCOC 1626a_100000747528_100000210699 [0,2,0,0,0,0|2,0,0]=4 9943 B12R0.1 CC=CC(=O)NCCCCCOC 240690a_100000747528_100000210699 [0,2,0,0,0,0|2,0,0]=4 9944 B12R0.1 CC=CC(=O)NCCCOCCC 1626a_100011217757_100000210699 [0,2,0,0,0,0|2,0,0]=4 9945 B12R0.1 CC=CC(=O)NCCCOCCC 240690a_100011217757_100000210699 [0,2,0,0,0,0|2,0,0]=4 9946 B12R0.1 CC=CC(=O)NCCSCCCC 11a_100025743550_100000210699 [0,2,0,0,0,0|2,0,0]=4 9947 B12R0.1 CC=CC(=O)NCCSCCCC 1626a_100025743550_100000210699 [0,2,0,0,0,0|2,0,0]=4 9948 B12R0.1 CC=CC(=O)NCCSCCCC 240690a_100025743550_100000210699 [0,2,0,0,0,0|2,0,0]=4 9949 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,2,0,0,0,0|0,0,2]=4 9950 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [0,2,0,0,0,0|0,0,2]=4 9951 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100000070051_100009991533 [0,2,0,0,0,0|0,0,2]=4 9952 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100009991533_100000070051 [0,2,0,0,0,0|0,0,2]=4 9953 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,2,0,0,0,0|0,0,2]=4 9954 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,2,0,0,0,0|0,0,2]=4 9955 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [0,2,0,0,0,0|0,0,2]=4 9956 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [0,2,0,0,0,0|0,0,2]=4 9957 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [0,2,0,0,0,0|0,0,2]=4 9958 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,2,0,0,0,0|0,0,2]=4 9959 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,2,0,0,0,0|0,0,2]=4 9960 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,2,0,0,0,0|0,0,2]=4 9961 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,2,0,0,0,0|0,0,2]=4 9962 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,2,0,0,0,0|1,0,1]=4 9963 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|1,0,0]=3 9964 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|1,0,0]=3 9965 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|1,0,0]=3 9966 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,2,0,0,0,0|2,0,0]=4 9967 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,2,0,0,0,0|2,0,0]=4 9968 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,2,0,0,0,0|2,0,0]=4 9969 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,2,0,0,0,0|2,0,0]=4 9970 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,2,0,0,0,0|2,0,0]=4 9971 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,2,0,0,0,0|2,0,0]=4 9972 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,2,0,0,0,0|2,0,0]=4 9973 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,2,0,0,0,0|2,0,0]=4 9974 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,2,0,0,0,0|2,0,0]=4 9975 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,2,0,0,0,0|2,0,0]=4 9976 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,2,0,0,0,0|2,0,0]=4 9977 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,2,0,0,0,0|2,0,0]=4 9978 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,2,0,0,0,0|2,0,0]=4 9979 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,2,0,0,0,0|2,0,0]=4 9980 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,2,0,0,0,0|2,0,0]=4 9981 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,2,0,0,0,0|2,0,0]=4 9982 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,2,0,0,0,0|2,0,0]=4 9983 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,2,0,0,0,0|2,0,0]=4 9984 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,2,0,0,0,0|2,0,0]=4 9985 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,2,0,0,0,0|2,0,0]=4 9986 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,2,0,0,0,0|2,0,0]=4 9987 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,2,0,0,0,0|2,0,0]=4 9988 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,2,0,0,0,0|2,0,0]=4 9989 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,2,0,0,0,0|2,0,0]=4 9990 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,2,0,0,0,0|1,0,1]=4 9991 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,2,0,0,0,0|1,0,1]=4 9992 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|1,0,1]=4 9993 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,2,0,0,0,0|1,0,1]=4 9994 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,2,0,0,0,0|1,0,1]=4 9995 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,2,0,0,0,0|1,0,1]=4 9996 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,2,0,0,0,0|1,0,1]=4 9997 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,2,0,0,0,0|1,0,1]=4 9998 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,2,0,0,0,0|0,0,1]=3 9999 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [0,2,0,0,0,0|0,1,1]=4 10000 B12R0.1 CCCCCC=NNC(=O)COC 4a_100000216845_100000737632 [0,2,0,0,0,0|1,0,1]=4 10001 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,2,0,0,0,0|1,0,1]=4 10002 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,2,0,0,0,0|1,0,1]=4 10003 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|1,0,1]=4 10004 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|1,0,1]=4 10005 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|1,0,1]=4 10006 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,2,0,0,0,0|1,0,1]=4 10007 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,2,0,0,0,0|1,0,1]=4 10008 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,2,0,0,0,0|1,0,1]=4 10009 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,2,0,0,0,0|1,0,1]=4 10010 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,2,0,0,0,0|1,0,1]=4 10011 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,2,0,0,0,0|1,0,1]=4 10012 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|1,0,0]=3 10013 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|1,0,0]=3 10014 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|1,0,0]=3 10015 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|1,0,0]=3 10016 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|1,0,0]=3 10017 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|0,0,0]=2 10018 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|0,1,0]=3 10019 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 10020 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 10021 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 10022 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,2,0,0,0,0|1,0,0]=3 10023 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,2,0,0,0,0|1,0,1]=4 10024 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,2,0,0,0,0|1,0,1]=4 10025 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,2,0,0,0,0|1,0,1]=4 10026 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,2,0,0,0,0|1,0,1]=4 10027 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 10028 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 10029 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,2,0,0,0,0|1,0,1]=4 10030 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,2,0,0,0,0|1,0,1]=4 10031 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 10032 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 10033 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,2,0,0,0,0|1,0,1]=4 10034 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,2,0,0,0,0|1,0,1]=4 10035 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,2,0,0,0,0|1,0,1]=4 10036 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,2,0,0,0,0|1,0,1]=4 10037 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,2,0,0,0,0|1,0,1]=4 10038 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,2,0,0,0,0|1,0,1]=4 10039 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,2,0,0,0,0|1,0,1]=4 10040 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,2,0,0,0,0|1,0,1]=4 10041 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10042 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10043 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10044 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10045 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|1,0,0]=3 10046 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|0,0,0]=2 10047 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|0,0,0]=2 10048 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|0,0,0]=2 10049 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|0,0,0]=2 10050 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|0,1,0]=3 10051 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|0,1,0]=3 10052 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|0,1,0]=3 10053 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|0,1,0]=3 10054 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 10055 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 10056 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 10057 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 10058 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 10059 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 10060 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,2,0,0,0,0|1,0,0]=3 10061 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,2,0,0,0,0|1,0,0]=3 10062 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,2,0,0,0,0|1,0,0]=3 10063 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,2,0,0,0,0|1,0,1]=4 10064 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,2,0,0,0,0|1,0,1]=4 10065 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,2,0,0,0,0|1,0,1]=4 10066 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,2,0,0,0,0|1,0,1]=4 10067 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,2,0,0,0,0|1,0,1]=4 10068 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,2,0,0,0,0|1,0,1]=4 10069 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,2,0,0,0,0|1,0,1]=4 10070 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,2,0,0,0,0|1,0,1]=4 10071 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|1,0,0]=3 10072 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|1,0,0]=3 10073 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|1,0,0]=3 10074 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,2,0,0,0,0|1,0,0]=3 10075 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|0,0,0]=2 10076 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,2,0,0,0,0|0,0,2]=4 10077 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,2,0,0,0,0|0,0,2]=4 10078 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|1,0,0]=3 10079 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|1,0,0]=3 10080 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|1,0,0]=3 10081 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|1,0,0]=3 10082 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|1,0,0]=3 10083 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|0,0,0]=2 10084 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|0,0,0]=2 10085 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,2,0,0,0,0|1,0,1]=4 10086 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,2,0,0,0,0|0,0,2]=4 10087 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,2,0,0,0,0|0,0,2]=4 10088 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|1,0,0]=3 10089 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|1,0,0]=3 10090 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|1,0,0]=3 10091 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|1,0,0]=3 10092 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,2,0,0,0,0|1,0,0]=3 10093 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,2,0,0,0,0|1,0,0]=3 10094 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|0,0,0]=2 10095 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|0,0,0]=2 10096 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,2,0,0,0,0|0,0,2]=4 10097 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,2,0,0,0,0|0,0,2]=4 10098 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,2,0,0,0,0|1,0,0]=3 10099 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,2,0,0,0,0|1,0,0]=3 10100 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|0,0,0]=2 10101 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,2,0,0,0,0|2,0,0]=4 10102 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,2,0,0,0,0|1,0,1]=4 10103 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,2,0,0,0,0|1,0,0]=3 10104 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|0,0,0]=2 10105 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|0,0,0]=2 10106 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,2,0,0,0,0|2,0,0]=4 10107 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,2,0,0,0,0|1,0,0]=3 10108 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,2,0,0,0,0|1,0,0]=3 10109 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|0,0,0]=2 10110 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|0,0,0]=2 10111 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,2,0,0,0,0|2,0,0]=4 10112 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,2,0,0,0,0|1,0,0]=3 10113 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,2,0,0,0,0|0,0,2]=4 10114 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,2,0,0,0,0|0,0,2]=4 10115 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|0,0,0]=2 10116 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|0,0,0]=2 10117 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,2,0,0,0,0|1,0,0]=3 10118 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,2,0,0,0,0|0,0,2]=4 10119 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,2,0,0,0,0|0,0,2]=4 10120 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|0,0,0]=2 10121 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|0,0,0]=2 10122 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|0,0,0]=2 10123 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,2,0,0,0,0|1,0,0]=3 10124 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,2,0,0,0,0|1,0,0]=3 10125 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,2,0,0,0,0|2,0,0]=4 10126 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,2,0,0,0,0|2,0,0]=4 10127 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,2,0,0,0,0|2,0,0]=4 10128 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,2,0,0,0,0|2,0,0]=4 10129 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,2,0,0,0,0|2,0,0]=4 10130 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,2,0,0,0,0|2,0,0]=4 10131 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,2,0,0,0,0|2,0,0]=4 10132 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,2,0,0,0,0|1,0,0]=3 10133 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,2,0,0,0,0|1,0,0]=3 10134 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,2,0,0,0,0|0,0,2]=4 10135 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,2,0,0,0,0|0,0,2]=4 10136 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|0,0,0]=2 10137 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|0,0,0]=2 10138 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,2,0,0,0,0|2,0,0]=4 10139 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,2,0,0,0,0|2,0,0]=4 10140 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,2,0,0,0,0|2,0,0]=4 10141 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,2,0,0,0,0|2,0,0]=4 10142 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,2,0,0,0,0|2,0,0]=4 10143 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,2,0,0,0,0|1,0,0]=3 10144 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,2,0,0,0,0|1,0,0]=3 10145 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,2,0,0,0,0|1,0,0]=3 10146 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,2,0,0,0,0|1,0,0]=3 10147 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,2,0,0,0,0|1,1,0]=4 10148 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,2,0,0,0,0|1,1,0]=4 10149 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,2,0,0,0,0|1,1,0]=4 10150 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,2,0,0,0,0|1,1,0]=4 10151 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 10152 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 10153 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 10154 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 10155 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 10156 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 10157 B12R0.1 CCCCSCCNC(=O)NNC 273464a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 10158 B12R0.1 CCCCSCCNC(=O)NNC 512a_100016993582_100025743550 [0,2,0,0,0,0|2,0,0]=4 10159 B12R0.1 CCCCSCCNC(=O)NNC 512a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 10160 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,2,0,0,0,0|1,0,0]=3 10161 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|0,0,0]=2 10162 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,2,0,0,0,0|2,0,0]=4 10163 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,2,0,0,0,0|2,0,0]=4 10164 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,2,0,0,0,0|2,0,0]=4 10165 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,2,0,0,0,0|2,0,0]=4 10166 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,2,0,0,0,0|1,0,0]=3 10167 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,2,0,0,0,0|1,0,0]=3 10168 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,2,0,0,0,0|1,0,0]=3 10169 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,2,0,0,0,0|1,1,0]=4 10170 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,2,0,0,0,0|1,1,0]=4 10171 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,2,0,0,0,0|1,1,0]=4 10172 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 10173 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 10174 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 10175 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 10176 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 10177 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 10178 B12R0.1 CCCOCCCNC(=O)NNC 273464a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 10179 B12R0.1 CCCOCCCNC(=O)NNC 512a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 10180 B12R0.1 CCCOCCCNC(=O)NNC 512a_100016993582_100011217757 [0,2,0,0,0,0|2,0,0]=4 10181 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,2,0,0,0,0|2,0,0]=4 10182 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,2,0,0,0,0|2,0,0]=4 10183 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,2,0,0,0,0|2,0,0]=4 10184 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,2,0,0,0,0|2,0,0]=4 10185 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,2,0,0,0,0|2,0,0]=4 10186 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,2,0,0,0,0|2,0,0]=4 10187 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,2,0,0,0,0|1,0,0]=3 10188 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,2,0,0,0,0|1,0,0]=3 10189 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,2,0,0,0,0|2,0,0]=4 10190 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,2,0,0,0,0|2,0,0]=4 10191 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,2,0,0,0,0|2,0,0]=4 10192 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 10193 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 10194 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,2,0,0,0,0|1,0,0]=3 10195 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,2,0,0,0,0|1,0,0]=3 10196 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,2,0,0,0,0|1,0,0]=3 10197 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,2,0,0,0,0|2,0,0]=4 10198 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,2,0,0,0,0|2,0,0]=4 10199 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,2,0,0,0,0|2,0,0]=4 10200 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,2,0,0,0,0|2,0,0]=4 10201 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,2,0,0,0,0|2,0,0]=4 10202 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,2,0,0,0,0|2,0,0]=4 10203 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,2,0,0,0,0|1,0,0]=3 10204 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,2,0,0,0,0|1,0,0]=3 10205 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,2,0,0,0,0|1,0,0]=3 10206 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|0,0,0]=2 10207 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|0,0,0]=2 10208 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,2,0,0,0,0|2,0,0]=4 10209 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,2,0,0,0,0|2,0,0]=4 10210 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,2,0,0,0,0|2,0,0]=4 10211 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,2,0,0,0,0|1,0,0]=3 10212 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,2,0,0,0,0|2,0,0]=4 10213 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,2,0,0,0,0|2,0,0]=4 10214 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,2,0,0,0,0|2,0,0]=4 10215 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 10216 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 10217 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,2,0,0,0,0|1,0,0]=3 10218 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,2,0,0,0,0|1,0,0]=3 10219 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,2,0,0,0,0|1,0,0]=3 10220 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,2,0,0,0,0|1,0,0]=3 10221 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|1,0,0]=3 10222 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [0,2,0,0,0,0|2,0,0]=4 10223 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,2,0,0,0,0|2,0,0]=4 10224 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,2,0,0,0,0|2,0,0]=4 10225 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [0,2,0,0,0,0|2,0,0]=4 10226 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [0,2,0,0,0,0|2,0,0]=4 10227 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [0,2,0,0,0,0|2,0,0]=4 10228 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [0,2,0,0,0,0|2,0,0]=4 10229 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [0,2,0,0,0,0|2,0,0]=4 10230 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [0,2,0,0,0,0|2,0,0]=4 10231 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,2,0,0,0,0|2,0,0]=4 10232 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,2,0,0,0,0|2,0,0]=4 10233 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,2,0,0,0,0|2,0,0]=4 10234 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,2,0,0,0,0|2,0,0]=4 10235 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,2,0,0,0,0|2,0,0]=4 10236 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [0,2,0,0,0,0|2,0,0]=4 10237 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [0,2,0,0,0,0|2,0,0]=4 10238 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,2,0,0,0,0|2,0,0]=4 10239 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,2,0,0,0,0|2,0,0]=4 10240 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [0,2,0,0,0,0|2,0,0]=4 10241 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [0,2,0,0,0,0|2,0,0]=4 10242 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [0,2,0,0,0,0|2,0,0]=4 10243 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [0,2,0,0,0,0|2,0,0]=4 10244 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [0,2,0,0,0,0|2,0,0]=4 10245 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [0,2,0,0,0,0|2,0,0]=4 10246 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,2,0,0,0,0|2,0,0]=4 10247 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,2,0,0,0,0|2,0,0]=4 10248 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,2,0,0,0,0|2,0,0]=4 10249 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,2,0,0,0,0|2,0,0]=4 10250 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,2,0,0,0,0|2,0,0]=4 10251 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,2,0,0,0,0|2,0,0]=4 10252 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,2,0,0,0,0|2,0,0]=4 10253 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,2,0,0,0,0|2,0,0]=4 10254 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,2,0,0,0,0|2,0,0]=4 10255 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,2,0,0,0,0|2,0,0]=4 10256 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,2,0,0,0,0|2,0,0]=4 10257 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,2,0,0,0,0|2,0,0]=4 10258 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,2,0,0,0,0|2,0,0]=4 10259 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,2,0,0,0,0|2,0,0]=4 10260 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,2,0,0,0,0|2,0,0]=4 10261 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,2,0,0,0,0|2,0,0]=4 10262 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,2,0,0,0,0|2,0,0]=4 10263 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,2,0,0,0,0|2,0,0]=4 10264 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,2,0,0,0,0|2,0,0]=4 10265 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,2,0,0,0,0|2,0,0]=4 10266 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,2,0,0,0,0|2,0,0]=4 10267 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,2,0,0,0,0|2,0,0]=4 10268 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,2,0,0,0,0|2,0,0]=4 10269 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,2,0,0,0,0|2,0,0]=4 10270 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,2,0,0,0,0|2,0,0]=4 10271 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,2,0,0,0,0|2,0,0]=4 10272 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,2,0,0,0,0|2,0,0]=4 10273 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,2,0,0,0,0|2,0,0]=4 10274 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,2,0,0,0,0|2,0,0]=4 10275 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,2,0,0,0,0|2,0,0]=4 10276 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 10277 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,2,0,0,0,0|2,0,0]=4 10278 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 10279 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,2,0,0,0,0|2,0,0]=4 10280 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 10281 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 10282 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 10283 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 10284 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 10285 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 10286 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 10287 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|0,0,0]=2 10288 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,2,0,0,0,0|1,0,0]=3 10289 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|0,0,0]=2 10290 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|0,0,0]=2 10291 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|0,0,0]=2 10292 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|0,0,0]=2 10293 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|0,0,0]=2 10294 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|0,0,0]=2 10295 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,2,0,0,0,0|1,0,0]=3 10296 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|0,0,0]=2 10297 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|0,0,0]=2 10298 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,2,0,0,0,0|1,0,0]=3 10299 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,2,0,0,0,0|1,0,0]=3 10300 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,2,0,0,0,0|1,0,0]=3 10301 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,2,0,0,0,0|1,0,0]=3 10302 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,2,0,0,0,0|1,0,0]=3 10303 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,2,0,0,0,0|1,0,0]=3 10304 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,2,0,0,0,0|1,0,0]=3 10305 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100000750268_100011215382 [0,2,0,0,0,0|1,0,1]=4 10306 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100011215382_100000750268 [0,2,0,0,0,0|1,0,1]=4 10307 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,2,0,0,0,0|1,0,1]=4 10308 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,2,0,0,0,0|1,0,1]=4 10309 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,2,0,0,0,0|1,0,0]=3 10310 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,2,0,0,0,0|1,0,0]=3 10311 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,2,0,0,0,0|1,0,0]=3 10312 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,2,0,0,0,0|1,0,0]=3 10313 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,2,0,0,0,0|1,0,0]=3 10314 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,2,0,0,0,0|1,0,0]=3 10315 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,2,0,0,0,0|1,0,0]=3 10316 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,2,0,0,0,0|1,0,0]=3 10317 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,2,0,0,0,0|1,0,0]=3 10318 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,2,0,0,0,0|1,0,0]=3 10319 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,2,0,0,0,0|1,0,0]=3 10320 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,2,0,0,0,0|1,0,0]=3 10321 B12R0.1 CCOC(=O)CCCOCCC#N 7a_100012001163_100000184422 [0,2,0,0,0,0|1,0,1]=4 10322 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,2,0,0,0,0|1,0,0]=3 10323 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,2,0,0,0,0|1,0,0]=3 10324 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,2,0,0,0,0|1,0,0]=3 10325 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,2,0,0,0,0|1,0,0]=3 10326 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,2,0,0,0,0|1,0,0]=3 10327 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,2,0,0,0,0|1,0,0]=3 10328 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,2,0,0,0,0|1,0,0]=3 10329 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,2,0,0,0,0|1,0,0]=3 10330 B12R0.1 CCOC(=O)CCCOCCON 34a_100000700252_100009991533 [0,2,0,0,0,0|2,0,0]=4 10331 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,2,0,0,0,0|1,0,0]=3 10332 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,2,0,0,0,0|1,0,0]=3 10333 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,2,0,0,0,0|1,0,0]=3 10334 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100009991533_100011215226 [0,2,0,0,0,0|1,0,1]=4 10335 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100011215226_100009991533 [0,2,0,0,0,0|1,0,1]=4 10336 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,2,0,0,0,0|1,0,0]=3 10337 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,2,0,0,0,0|1,0,0]=3 10338 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,2,0,0,0,0|1,0,0]=3 10339 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,2,0,0,0,0|1,0,0]=3 10340 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,2,0,0,0,0|1,0,0]=3 10341 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,2,0,0,0,0|1,0,0]=3 10342 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,2,0,0,0,0|1,0,0]=3 10343 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,2,0,0,0,0|1,0,0]=3 10344 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,2,0,0,0,0|1,0,0]=3 10345 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,2,0,0,0,0|1,0,0]=3 10346 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,2,0,0,0,0|1,0,0]=3 10347 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,2,0,0,0,0|1,0,0]=3 10348 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,2,0,0,0,0|1,0,0]=3 10349 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,2,0,0,0,0|1,0,0]=3 10350 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,2,0,0,0,0|1,0,0]=3 10351 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,2,0,0,0,0|1,0,0]=3 10352 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,2,0,0,0,0|1,0,0]=3 10353 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,2,0,0,0,0|1,0,0]=3 10354 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,2,0,0,0,0|1,0,0]=3 10355 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,2,0,0,0,0|1,0,0]=3 10356 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,2,0,0,0,0|1,0,0]=3 10357 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,2,0,0,0,0|1,0,0]=3 10358 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,2,0,0,0,0|1,0,0]=3 10359 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,2,0,0,0,0|1,0,0]=3 10360 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,2,0,0,0,0|1,0,0]=3 10361 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,2,0,0,0,0|1,0,0]=3 10362 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [0,2,0,0,0,0|1,0,1]=4 10363 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [0,2,0,0,0,0|1,0,1]=4 10364 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,2,0,0,0,0|1,0,1]=4 10365 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,2,0,0,0,0|1,0,1]=4 10366 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,2,0,0,0,0|1,0,0]=3 10367 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,2,0,0,0,0|1,0,0]=3 10368 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,2,0,0,0,0|1,0,0]=3 10369 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,2,0,0,0,0|1,0,0]=3 10370 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,2,0,0,0,0|1,0,0]=3 10371 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,2,0,0,0,0|1,0,0]=3 10372 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,2,0,0,0,0|1,0,0]=3 10373 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,2,0,0,0,0|1,0,0]=3 10374 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,2,0,0,0,0|1,0,0]=3 10375 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,2,0,0,0,0|1,0,0]=3 10376 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [0,2,0,0,0,0|2,0,0]=4 10377 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [0,2,0,0,0,0|2,0,0]=4 10378 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [0,2,0,0,0,0|2,0,0]=4 10379 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,2,0,0,0,0|1,0,0]=3 10380 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,2,0,0,0,0|1,0,0]=3 10381 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,2,0,0,0,0|1,0,0]=3 10382 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,2,0,0,0,0|1,0,0]=3 10383 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,2,0,0,0,0|1,0,0]=3 10384 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,2,0,0,0,0|1,0,0]=3 10385 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,2,0,0,0,0|1,0,0]=3 10386 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,2,0,0,0,0|1,0,0]=3 10387 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,2,0,0,0,0|1,0,0]=3 10388 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,2,0,0,0,0|1,0,0]=3 10389 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,2,0,0,0,0|1,0,0]=3 10390 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,2,0,0,0,0|1,0,0]=3 10391 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,2,0,0,0,0|1,0,0]=3 10392 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,2,0,0,0,0|1,0,0]=3 10393 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,2,0,0,0,0|2,0,0]=4 10394 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,2,0,0,0,0|2,0,0]=4 10395 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,2,0,0,0,0|2,0,0]=4 10396 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,2,0,0,0,0|2,0,0]=4 10397 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,2,0,0,0,0|2,0,0]=4 10398 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,2,0,0,0,0|2,0,0]=4 10399 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,2,0,0,0,0|2,0,0]=4 10400 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,2,0,0,0,0|2,0,0]=4 10401 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,2,0,0,0,0|2,0,0]=4 10402 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,2,0,0,0,0|2,0,0]=4 10403 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,2,0,0,0,0|2,0,0]=4 10404 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,2,0,0,0,0|2,0,0]=4 10405 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,2,0,0,0,0|2,0,0]=4 10406 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,2,0,0,0,0|2,0,0]=4 10407 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,2,0,0,0,0|2,0,0]=4 10408 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,2,0,0,0,0|2,0,0]=4 10409 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,2,0,0,0,0|2,0,0]=4 10410 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,2,0,0,0,0|2,0,0]=4 10411 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,2,0,0,0,0|2,0,0]=4 10412 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,2,0,0,0,0|2,0,0]=4 10413 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,2,0,0,0,0|2,0,0]=4 10414 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,2,0,0,0,0|2,0,0]=4 10415 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,2,0,0,0,0|2,0,0]=4 10416 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,2,0,0,0,0|2,0,0]=4 10417 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [0,2,0,0,0,0|1,0,1]=4 10418 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [0,2,0,0,0,0|1,0,1]=4 10419 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,2,0,0,0,0|1,0,1]=4 10420 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,2,0,0,0,0|1,0,1]=4 10421 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,2,0,0,0,0|1,0,0]=3 10422 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,2,0,0,0,0|1,0,0]=3 10423 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,2,0,0,0,0|1,0,0]=3 10424 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,2,0,0,0,0|1,0,0]=3 10425 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,2,0,0,0,0|1,0,0]=3 10426 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,2,0,0,0,0|1,0,0]=3 10427 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [0,2,0,0,0,0|2,0,0]=4 10428 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [0,2,0,0,0,0|2,0,0]=4 10429 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [0,2,0,0,0,0|2,0,0]=4 10430 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [0,2,0,0,0,0|2,0,0]=4 10431 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [0,2,0,0,0,0|2,0,0]=4 10432 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [0,2,0,0,0,0|2,0,0]=4 10433 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,2,0,0,0,0|2,0,0]=4 10434 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,2,0,0,0,0|2,0,0]=4 10435 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,2,0,0,0,0|2,0,0]=4 10436 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,2,0,0,0,0|2,0,0]=4 10437 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,2,0,0,0,0|2,0,0]=4 10438 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,2,0,0,0,0|2,0,0]=4 10439 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,2,0,0,0,0|2,0,0]=4 10440 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,2,0,0,0,0|2,0,0]=4 10441 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,2,0,0,0,0|2,0,0]=4 10442 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,2,0,0,0,0|2,0,0]=4 10443 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,2,0,0,0,0|2,0,0]=4 10444 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,2,0,0,0,0|2,0,0]=4 10445 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,2,0,0,0,0|2,0,0]=4 10446 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|0,0,0]=2 10447 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|0,0,0]=2 10448 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,2,0,0,0,0|2,0,0]=4 10449 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,2,0,0,0,0|2,0,0]=4 10450 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,2,0,0,0,0|1,0,0]=3 10451 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,2,0,0,0,0|1,0,0]=3 10452 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 10453 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 10454 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,2,0,0,0,0|1,0,0]=3 10455 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,2,0,0,0,0|1,0,0]=3 10456 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,2,0,0,0,0|1,0,0]=3 10457 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,2,0,0,0,0|2,0,0]=4 10458 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,2,0,0,0,0|2,0,0]=4 10459 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,2,0,0,0,0|1,0,0]=3 10460 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,2,0,0,0,0|1,0,0]=3 10461 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,2,0,0,0,0|1,0,0]=3 10462 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,2,0,0,0,0|1,0,0]=3 10463 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,2,0,0,0,0|2,0,0]=4 10464 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,2,0,0,0,0|1,0,0]=3 10465 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [0,2,0,0,0,0|1,1,0]=4 10466 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,2,0,0,0,0|1,0,0]=3 10467 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,2,0,0,0,0|1,0,0]=3 10468 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,2,0,0,0,0|1,0,0]=3 10469 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,2,0,0,0,0|1,0,0]=3 10470 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,2,0,0,0,0|2,0,0]=4 10471 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,2,0,0,0,0|1,0,0]=3 10472 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,2,0,0,0,0|1,0,0]=3 10473 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,2,0,0,0,0|2,0,0]=4 10474 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 10475 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 10476 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,2,0,0,0,0|1,0,0]=3 10477 B12R0.1 CNNC(=O)NCCCCCCO 273464a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 10478 B12R0.1 CNNC(=O)NCCCCCCO 512a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 10479 B12R0.1 CNNC(=O)NCCCCCCO 512a_100016993582_100000686447 [0,2,0,0,0,0|2,0,0]=4 10480 B12R0.1 CNNC(=O)NCCCCCOC 273464a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 10481 B12R0.1 CNNC(=O)NCCCCCOC 512a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 10482 B12R0.1 CNNC(=O)NCCCCCOC 512a_100016993582_100000747528 [0,2,0,0,0,0|2,0,0]=4 10483 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,2,0,0,0,0|0,0,1]=3 10484 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|0,0,0]=2 10485 B12R0.1 COCC(=O)NCCCCCC#N 11a_100000061152_100000210968 [0,2,0,0,0,0|1,0,1]=4 10486 B12R0.1 COCC(=O)NCCCCCC#N 1626a_100000061152_100000210968 [0,2,0,0,0,0|1,0,1]=4 10487 B12R0.1 COCC(=O)NCCCCCC#N 240690a_100000061152_100000210968 [0,2,0,0,0,0|1,0,1]=4 10488 B12R0.1 COCC(=O)NCCCCCC#N 527a_100000061152_100000210968 [0,2,0,0,0,0|1,0,1]=4 10489 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|1,0,0]=3 10490 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|1,0,0]=3 10491 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,2,0,0,0,0|1,0,1]=4 10492 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,2,0,0,0,0|1,0,1]=4 10493 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,2,0,0,0,0|1,0,1]=4 10494 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [0,2,0,0,0,0|1,0,1]=4 10495 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|1,0,0]=3 10496 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|0,0,0]=2 10497 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|0,1,0]=3 10498 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,2,0,0,0,0|2,0,0]=4 10499 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,2,0,0,0,0|1,0,0]=3 10500 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,2,0,0,0,0|1,0,0]=3 10501 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,2,0,0,0,0|1,0,0]=3 10502 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,2,0,0,0,0|1,0,0]=3 10503 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,2,0,0,0,0|1,1,0]=4 10504 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,2,0,0,0,0|1,1,0]=4 10505 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,2,0,0,0,0|1,1,0]=4 10506 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,2,0,0,0,0|1,1,0]=4 10507 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,2,0,0,0,0|2,0,0]=4 10508 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,2,0,0,0,0|2,0,0]=4 10509 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,2,0,0,0,0|2,0,0]=4 10510 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,2,0,0,0,0|2,0,0]=4 10511 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,2,0,0,0,0|1,0,0]=3 10512 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,2,0,0,0,0|1,1,0]=4 10513 B12R0.1 COCCOCCNC(=O)COC 11a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 10514 B12R0.1 COCCOCCNC(=O)COC 1626a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 10515 B12R0.1 COCCOCCNC(=O)COC 240690a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 10516 B12R0.1 COCCOCCNC(=O)COC 527a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 10517 B12R0.1 CSCC(=O)CCCCCCC#N 1458a_100000184570_100009813337 [0,2,0,0,0,0|0,1,1]=4 10518 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|0,1,0]=3 10519 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,2,0,0,0,0|1,1,0]=4 10520 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,2,0,0,0,0|1,1,0]=4 10521 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 10522 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 10523 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,2,0,0,0,0|1,0,1]=4 10524 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,2,0,0,0,0|1,0,1]=4 10525 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,2,0,0,0,0|1,0,1]=4 10526 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 10527 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,2,0,0,0,0|1,0,1]=4 10528 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,2,0,0,0,0|1,0,1]=4 10529 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,2,0,0,0,0|1,0,1]=4 10530 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|1,0,0]=3 10531 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|1,0,0]=3 10532 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|1,0,0]=3 10533 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,2,0,0,0,0|2,0,0]=4 10534 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 10535 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 10536 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 10537 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 10538 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 10539 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 10540 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 10541 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 10542 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,2,0,0,0,0|2,0,0]=4 10543 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,2,0,0,0,0|2,0,0]=4 10544 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,2,0,0,0,0|2,0,0]=4 10545 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 10546 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|1,0,0]=3 10547 B12R0.4 C=C(C)CC(=O)CCCCCCO 1458a_100011996774_100000748629 [0,2,0,0,0,0|2,0,0]=4 10548 B12R0.4 C=C(C)CC(=O)CCCCCOC 1458a_100011935119_100000748629 [0,2,0,0,0,0|2,0,0]=4 10549 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,2,0,0,0,0|1,0,1]=4 10550 B12R0.4 CC(=CC(=O)CCCCCCF)C 1458a_100000211388_100015922095 [0,2,0,0,0,0|2,0,0]=4 10551 B12R0.4 CC(=CC(=O)CCCCCCF)Cl 1458a_200042562850_100015922095 [0,2,0,0,0,0|2,0,0]=4 10552 B12R0.4 CC(=CC(=O)CCCCCCF)I 1458a_100025716642_100015922095 [0,2,0,0,0,0|2,0,0]=4 10553 B12R0.4 CC(=CC(=O)CCCCCCO)C 1458a_100000211388_100000766143 [0,2,0,0,0,0|2,0,0]=4 10554 B12R0.4 CC(=CC(=O)CCCCCCO)Cl 1458a_200042562850_100000766143 [0,2,0,0,0,0|2,0,0]=4 10555 B12R0.4 CC(=CC(=O)CCCCCCO)I 1458a_100025716642_100000766143 [0,2,0,0,0,0|2,0,0]=4 10556 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [0,2,0,0,0,0|2,0,0]=4 10557 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [0,2,0,0,0,0|2,0,0]=4 10558 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [0,2,0,0,0,0|2,0,0]=4 10559 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [0,2,0,0,0,0|2,0,0]=4 10560 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [0,2,0,0,0,0|1,0,0]=3 10561 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [0,2,0,0,0,0|1,0,0]=3 10562 B12R0.4 CC(C)OC(=O)CCNCCCF 2230a_100015189416_100000760027 [0,2,0,0,0,0|2,0,0]=4 10563 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100000760027_100011934791 [0,2,0,0,0,0|2,0,0]=4 10564 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100011934791_100000760027 [0,2,0,0,0,0|2,0,0]=4 10565 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100000760027_100011215043 [0,2,0,0,0,0|2,0,0]=4 10566 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100011215043_100000760027 [0,2,0,0,0,0|2,0,0]=4 10567 B12R0.4 CC(C)OC(=O)CNCCCCO 2230a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 10568 B12R0.4 CC(C)OC(=O)CNCCCCO 34a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 10569 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [0,2,0,0,0,0|2,0,0]=4 10570 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [0,2,0,0,0,0|2,0,0]=4 10571 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [0,2,0,0,0,0|2,0,0]=4 10572 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [0,2,0,0,0,0|2,0,0]=4 10573 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [0,2,0,0,0,0|2,0,0]=4 10574 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [0,2,0,0,0,0|2,0,0]=4 10575 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 10576 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100000729493_100011215430 [0,2,0,0,0,0|2,0,0]=4 10577 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100011215430_100000729493 [0,2,0,0,0,0|2,0,0]=4 10578 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100000210776_100011215430 [0,2,0,0,0,0|2,0,0]=4 10579 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100011215430_100000210776 [0,2,0,0,0,0|2,0,0]=4 10580 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,2,0,0,0,0|2,0,0]=4 10581 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,2,0,0,0,0|1,0,0]=3 10582 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,2,0,0,0,0|1,0,0]=3 10583 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,2,0,0,0,0|1,0,0]=3 10584 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [0,2,0,0,0,0|1,0,1]=4 10585 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,2,0,0,0,0|1,0,1]=4 10586 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,2,0,0,0,0|1,0,1]=4 10587 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,2,0,0,0,0|1,0,1]=4 10588 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,2,0,0,0,0|1,0,0]=3 10589 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,2,0,0,0,0|1,0,0]=3 10590 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|1,0,0]=3 10591 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,2,0,0,0,0|1,0,0]=3 10592 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,2,0,0,0,0|1,0,0]=3 10593 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|1,0,0]=3 10594 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,2,0,0,0,0|2,0,0]=4 10595 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,2,0,0,0,0|0,1,0]=3 10596 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 10597 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 10598 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 10599 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 10600 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,2,0,0,0,0|1,0,1]=4 10601 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,2,0,0,0,0|1,0,1]=4 10602 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,2,0,0,0,0|1,0,1]=4 10603 B12R0.4 CCCCCCNC(=O)C=C(C)C 11a_100000210581_100000211388 [0,2,0,0,0,0|2,0,0]=4 10604 B12R0.4 CCCCCCNC(=O)C=C(C)C 1626a_100000210581_100000211388 [0,2,0,0,0,0|2,0,0]=4 10605 B12R0.4 CCCCCCNC(=O)C=C(C)C 240690a_100000210581_100000211388 [0,2,0,0,0,0|2,0,0]=4 10606 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 11a_100000210581_200042562850 [0,2,0,0,0,0|2,0,0]=4 10607 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 1626a_100000210581_200042562850 [0,2,0,0,0,0|2,0,0]=4 10608 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 240690a_100000210581_200042562850 [0,2,0,0,0,0|2,0,0]=4 10609 B12R0.4 CCCCCCNC(=O)C=C(C)I 11a_100000210581_100025716642 [0,2,0,0,0,0|2,0,0]=4 10610 B12R0.4 CCCCCCNC(=O)C=C(C)I 1626a_100000210581_100025716642 [0,2,0,0,0,0|2,0,0]=4 10611 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,2,0,0,0,0|2,0,0]=4 10612 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,2,0,0,0,0|2,0,0]=4 10613 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,2,0,0,0,0|2,0,0]=4 10614 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,2,0,0,0,0|2,0,0]=4 10615 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,2,0,0,0,0|2,0,0]=4 10616 B12R0.4 CCCCCCNC(=O)CN(C)C 11a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 10617 B12R0.4 CCCCCCNC(=O)CN(C)C 2230a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 10618 B12R0.4 CCCCCCNC(=O)CN(C)C 240690a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 10619 B12R0.4 CCCCCCNC(=O)CN(C)C 269982a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 10620 B12R0.4 CCCCCCNC(=O)CN(C)C 527a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 10621 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,2,0,0,0,0|2,0,0]=4 10622 B12R0.4 CCCCCCNC(=O)C[S+](C)C 11a_100000210581_200159257847 [0,2,0,0,0,0|1,1,0]=4 10623 B12R0.4 CCCCCCNC(=O)C[S+](C)C 1626a_100000210581_200159257847 [0,2,0,0,0,0|1,1,0]=4 10624 B12R0.4 CCCCCCNC(=O)C[S+](C)C 240690a_100000210581_200159257847 [0,2,0,0,0,0|1,1,0]=4 10625 B12R0.4 CCCCCCNC(=O)C[S+](C)C 527a_100000210581_200159257847 [0,2,0,0,0,0|1,1,0]=4 10626 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,2,0,0,0,0|2,0,0]=4 10627 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 10628 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 10629 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,2,0,0,0,0|2,0,0]=4 10630 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 10631 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [0,2,0,0,0,0|2,0,0]=4 10632 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [0,2,0,0,0,0|2,0,0]=4 10633 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [0,2,0,0,0,0|1,0,0]=3 10634 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,2,0,0,0,0|2,0,0]=4 10635 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,2,0,0,0,0|2,0,0]=4 10636 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,2,0,0,0,0|2,0,0]=4 10637 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,2,0,0,0,0|1,0,0]=3 10638 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,2,0,0,0,0|1,0,0]=3 10639 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,2,0,0,0,0|2,0,0]=4 10640 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [0,2,0,0,0,0|2,0,0]=4 10641 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [0,2,0,0,0,0|2,0,0]=4 10642 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [0,2,0,0,0,0|1,0,0]=3 10643 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [0,2,0,0,0,0|1,0,0]=3 10644 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [0,2,0,0,0,0|2,0,0]=4 10645 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [0,2,0,0,0,0|2,0,0]=4 10646 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [0,2,0,0,0,0|1,0,0]=3 10647 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [0,2,0,0,0,0|1,0,0]=3 10648 B12R0.4 CCCCOCCC(=O)C=C(C)C 1458a_100000211388_100000743108 [0,2,0,0,0,0|2,0,0]=4 10649 B12R0.4 CCCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100000743108 [0,2,0,0,0,0|2,0,0]=4 10650 B12R0.4 CCCCOCCC(=O)C=C(C)I 1458a_100025716642_100000743108 [0,2,0,0,0,0|2,0,0]=4 10651 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [0,2,0,0,0,0|2,0,0]=4 10652 B12R0.4 CCCCOCCC(=O)CN(C)C 1458a_100000750896_100000743108 [0,2,0,0,0,0|2,0,0]=4 10653 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,2,0,0,0,0|2,0,0]=4 10654 B12R0.4 CCCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000743108 [0,2,0,0,0,0|1,1,0]=4 10655 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [0,2,0,0,0,0|2,0,0]=4 10656 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [0,2,0,0,0,0|1,0,0]=3 10657 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [0,2,0,0,0,0|2,0,0]=4 10658 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [0,2,0,0,0,0|2,0,0]=4 10659 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [0,2,0,0,0,0|1,0,0]=3 10660 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [0,2,0,0,0,0|1,0,0]=3 10661 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [0,2,0,0,0,0|2,0,0]=4 10662 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [0,2,0,0,0,0|2,0,0]=4 10663 B12R0.4 CCOCCNCC(=O)OC(C)C 2230a_102516460346_100011215430 [0,2,0,0,0,0|2,0,0]=4 10664 B12R0.4 CCOCCNCC(=O)OC(C)C 34a_102516460346_100011215430 [0,2,0,0,0,0|2,0,0]=4 10665 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [0,2,0,0,0,0|2,0,0]=4 10666 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [0,2,0,0,0,0|2,0,0]=4 10667 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100000210147_100011215430 [0,2,0,0,0,0|2,0,0]=4 10668 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100011215430_100011215890 [0,2,0,0,0,0|2,0,0]=4 10669 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000739092_100000760027 [0,2,0,0,0,0|2,0,0]=4 10670 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000760027_100000739092 [0,2,0,0,0,0|2,0,0]=4 10671 B12R0.4 CCSCCNCC(=O)OC(C)C 2230a_100000106463_100011215430 [0,2,0,0,0,0|2,0,0]=4 10672 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [0,2,0,0,0,0|2,0,0]=4 10673 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [0,2,0,0,0,0|2,0,0]=4 10674 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100000757381_100011215430 [0,2,0,0,0,0|2,0,0]=4 10675 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100011215430_100000757381 [0,2,0,0,0,0|2,0,0]=4 10676 B12R0.4 CN(C)CC(=O)CCCCCCF 1458a_100000750896_100015922095 [0,2,0,0,0,0|2,0,0]=4 10677 B12R0.4 CN(C)CC(=O)CCCCCCO 1458a_100000750896_100000766143 [0,2,0,0,0,0|2,0,0]=4 10678 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [0,2,0,0,0,0|1,0,0]=3 10679 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [0,2,0,0,0,0|1,0,0]=3 10680 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [0,2,0,0,0,0|1,0,0]=3 10681 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 10682 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [0,2,0,0,0,0|2,0,0]=4 10683 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,2,0,0,0,0|2,0,0]=4 10684 B12R0.4 COCCCCCC(=O)CC(F)F 1458a_100011935119_100011934356 [0,2,0,0,0,0|2,0,0]=4 10685 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 10686 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 10687 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 10688 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 10689 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [0,2,0,0,0,0|1,0,0]=3 10690 B12R0.4 COCCCNCC(=O)OC(C)C 34a_100150723488_100011215430 [0,2,0,0,0,0|2,0,0]=4 10691 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [0,2,0,0,0,0|2,0,0]=4 10692 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100000709357_100011215430 [0,2,0,0,0,0|2,0,0]=4 10693 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100011215430_100000709357 [0,2,0,0,0,0|2,0,0]=4 10694 B12R0.4 COCCNCCC(=O)OC(C)C 2230a_100000209980_100000760027 [0,2,0,0,0,0|2,0,0]=4 10695 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000233755_100000760027 [0,2,0,0,0,0|2,0,0]=4 10696 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000760027_100000233755 [0,2,0,0,0,0|2,0,0]=4 10697 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [0,2,0,0,0,0|1,0,0]=3 10698 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [0,2,0,0,0,0|1,0,0]=3 10699 B12R0.4 CSCCCNCC(=O)OC(C)C 2230a_100000749238_100011215430 [0,2,0,0,0,0|2,0,0]=4 10700 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [0,2,0,0,0,0|2,0,0]=4 10701 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [0,2,0,0,0,0|2,0,0]=4 10702 B12R0.4 CSCCNCCC(=O)OC(C)C 2230a_100020590264_100000760027 [0,2,0,0,0,0|2,0,0]=4 10703 B12R0.4 CSCCOCCC(=O)OC(C)C 7a_100000230434_100000760027 [0,2,0,0,0,0|2,0,0]=4 10704 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000212216_100000760027 [0,2,0,0,0,0|2,0,0]=4 10705 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000760027_100000751147 [0,2,0,0,0,0|2,0,0]=4 10706 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,2,0,0,0,0|2,0,0]=4 10707 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,2,0,0,0,0|2,0,0]=4 10708 B12R0.4 C[S+](C)CC(=O)CCCCCCF 1458a_200159257847_100015922095 [0,2,0,0,0,0|1,1,0]=4 10709 B12R0.4 C[S+](C)CC(=O)CCCCCCO 1458a_200159257847_100000766143 [0,2,0,0,0,0|1,1,0]=4 10710 B12R0.4 O=C(CCCCCCO)CC(F)F 1458a_100011996774_100011934356 [0,2,0,0,0,0|2,0,0]=4 10711 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,2,0,0,0,0|1,0,1]=4 10712 B12R0.49 C#CC(C)C(=O)CCCCCCC 1458a_100000211969_200000035995 [0,2,0,0,0,0|1,0,0]=3 10713 B12R0.49 C#CC(C)C(=O)CCCCCCO 1458a_100011996774_200000035995 [0,2,0,0,0,0|2,0,0]=4 10714 B12R0.49 C#CC(C)C(=O)CCCCCOC 1458a_100011935119_200000035995 [0,2,0,0,0,0|2,0,0]=4 10715 B12R0.49 C#CCCCCCC(=O)C(C)OC 1458a_100000743197_100012094781 [0,2,0,0,0,0|0,0,2]=4 10716 B12R0.49 C#CCCCCNC(C)C(=O)OC 2230a_100000706060_100000211248 [0,2,0,0,0,0|0,0,2]=4 10717 B12R0.49 C#CCCCCNC(C)C(=O)OC 34a_100000706060_100000211248 [0,2,0,0,0,0|0,0,2]=4 10718 B12R0.49 C#CCCCCOC(C)C(=O)OC 34a_100000766709_100000211248 [0,2,0,0,0,0|0,0,2]=4 10719 B12R0.49 C#CCCCCOC(C)C(=O)OC 34a_100011215400_100010269958 [0,2,0,0,0,0|0,0,2]=4 10720 B12R0.49 C#CCCCCOC(C)C(=O)OC 7a_100000766709_100000211248 [0,2,0,0,0,0|0,0,2]=4 10721 B12R0.49 C#CCCCCSC(C)C(=O)OC 62a_100000211248_100010269958 [0,2,0,0,0,0|0,0,2]=4 10722 B12R0.49 C#CCCCCSC(C)C(=O)OC 62a_100010269958_100000211248 [0,2,0,0,0,0|0,0,2]=4 10723 B12R0.49 C#CCCCNCC(C)C(=O)OC 34a_100000718082_100000698445 [0,2,0,0,0,0|0,0,2]=4 10724 B12R0.49 C#CCCCOCC(C)C(=O)OC 34a_100000215630_100000698445 [0,2,0,0,0,0|0,0,2]=4 10725 B12R0.49 C#CCCCOCC(C)C(=O)OC 34a_100000749362_100000695029 [0,2,0,0,0,0|0,0,2]=4 10726 B12R0.49 C#CCCCOCC(C)C(=O)OC 7a_100000749362_100011215417 [0,2,0,0,0,0|0,0,2]=4 10727 B12R0.49 C#CCCCOCC(F)C(=O)OC 34a_200009849844_100000695029 [0,2,0,0,0,0|0,0,2]=4 10728 B12R0.49 C#CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000695029 [0,2,0,0,0,0|0,0,2]=4 10729 B12R0.49 C#CCCCSCC(C)C(=O)OC 62a_100000698445_100011215417 [0,2,0,0,0,0|0,0,2]=4 10730 B12R0.49 C#CCCCSCC(C)C(=O)OC 62a_100011215417_100000698445 [0,2,0,0,0,0|0,0,2]=4 10731 B12R0.49 C#CCCNCCC(C)C(=O)OC 34a_100000755551_100000034942 [0,2,0,0,0,0|0,0,2]=4 10732 B12R0.49 C#CCCOCCC(C)C(=O)OC 34a_100011215631_100000034942 [0,2,0,0,0,0|0,0,2]=4 10733 B12R0.49 C#CCCSCCC(C)C(=O)OC 62a_100000034942_100000688953 [0,2,0,0,0,0|0,0,2]=4 10734 B12R0.49 C#CCCSCCC(C)C(=O)OC 62a_100000688953_100000034942 [0,2,0,0,0,0|0,0,2]=4 10735 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,2,0,0,0,0|1,0,0]=3 10736 B12R0.49 C/C=C(\C)/C(=O)CCCCCCF 1458a_100020587367_100015922095 [0,2,0,0,0,0|2,0,0]=4 10737 B12R0.49 C/C=C(\C)/C(=O)CCCCCCO 1458a_100020587367_100000766143 [0,2,0,0,0,0|2,0,0]=4 10738 B12R0.49 C/C=C(\C)/C(=O)CCOCCCC 1458a_100020587367_100000743108 [0,2,0,0,0,0|2,0,0]=4 10739 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 11a_100000210581_100020587367 [0,2,0,0,0,0|2,0,0]=4 10740 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 1626a_100000210581_100020587367 [0,2,0,0,0,0|2,0,0]=4 10741 B12R0.49 C/C=C(\C)/C(C)NCCCCCC 269862a_100000210581_100020675665 [0,2,0,0,0,0|2,0,0]=4 10742 B12R0.49 C/C=C/CCOCC(C)C(=O)OC 34a_100016278192_100000698445 [0,2,0,0,0,0|0,0,2]=4 10743 B12R0.49 C/C=C/COCCC(C)C(=O)OC 34a_100016270725_100000034942 [0,2,0,0,0,0|0,0,2]=4 10744 B12R0.49 C/C=C/CSCCC(C)C(=O)OC 62a_100000034942_100102629194 [0,2,0,0,0,0|0,0,2]=4 10745 B12R0.49 C/C=C/CSCCC(C)C(=O)OC 62a_100102629194_100000034942 [0,2,0,0,0,0|0,0,2]=4 10746 B12R0.49 C=C(CNCCCCO)C(=O)OC 34a_100000750430_100009813391 [0,2,0,0,0,0|1,0,1]=4 10747 B12R0.49 C=C(CNCCCOC)C(=O)OC 34a_100150723488_100009813391 [0,2,0,0,0,0|1,0,1]=4 10748 B12R0.49 C=C(CNCCOCC)C(=O)OC 34a_102516460346_100009813391 [0,2,0,0,0,0|1,0,1]=4 10749 B12R0.49 C=C(COCCCCBr)C(=O)OC 34a_100011216708_100009813391 [0,2,0,0,0,0|1,0,1]=4 10750 B12R0.49 C=C(COCCCCC)C(=O)OC 34a_100000210253_100009813391 [0,2,0,0,0,0|0,0,1]=3 10751 B12R0.49 C=C(COCCCCCl)C(=O)OC 34a_100000210776_100009813391 [0,2,0,0,0,0|1,0,1]=4 10752 B12R0.49 C=C(COCCCCF)C(=O)OC 34a_100011995726_100009813391 [0,2,0,0,0,0|1,0,1]=4 10753 B12R0.49 C=C(COCCCCI)C(=O)OC 34a_200012148704_100009813391 [0,2,0,0,0,0|1,0,1]=4 10754 B12R0.49 C=C(COCCCCN)C(=O)OC 34a_100000750430_100009813391 [0,2,0,0,0,0|1,0,1]=4 10755 B12R0.49 C=C(COCCCNC)C(=O)OC 34a_100000213112_100009813391 [0,2,0,0,0,0|1,0,1]=4 10756 B12R0.49 C=C(COCCCOC)C(=O)OC 34a_100000740835_100009813391 [0,2,0,0,0,0|1,0,1]=4 10757 B12R0.49 C=C(COCCCSC)C(=O)OC 34a_100000690336_100009813391 [0,2,0,0,0,0|1,0,1]=4 10758 B12R0.49 C=C(COCCOCC)C(=O)OC 34a_100000210136_100009813391 [0,2,0,0,0,0|1,0,1]=4 10759 B12R0.49 C=C(COCCSCC)C(=O)OC 34a_100000212035_100009813391 [0,2,0,0,0,0|1,0,1]=4 10760 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100000210326_100009813391 [0,2,0,0,0,0|0,0,1]=3 10761 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100009813391_100000210326 [0,2,0,0,0,0|0,0,1]=3 10762 B12R0.49 C=C(CSCCCCF)C(=O)OC 62a_100000729493_100009813391 [0,2,0,0,0,0|1,0,1]=4 10763 B12R0.49 C=C(CSCCCCF)C(=O)OC 62a_100009813391_100000729493 [0,2,0,0,0,0|1,0,1]=4 10764 B12R0.49 C=C(CSCCCCO)C(=O)OC 62a_100000210776_100009813391 [0,2,0,0,0,0|1,0,1]=4 10765 B12R0.49 C=C(CSCCCCO)C(=O)OC 62a_100009813391_100000210776 [0,2,0,0,0,0|1,0,1]=4 10766 B12R0.49 C=C(CSCCCOC)C(=O)OC 62a_100000709357_100009813391 [0,2,0,0,0,0|1,0,1]=4 10767 B12R0.49 C=C(CSCCCOC)C(=O)OC 62a_100009813391_100000709357 [0,2,0,0,0,0|1,0,1]=4 10768 B12R0.49 C=C(CSCCOCC)C(=O)OC 62a_100000210147_100009813391 [0,2,0,0,0,0|1,0,1]=4 10769 B12R0.49 C=C(CSCCOCC)C(=O)OC 62a_100009813391_100011215890 [0,2,0,0,0,0|1,0,1]=4 10770 B12R0.49 C=C(CSCCSCC)C(=O)OC 62a_100000757381_100009813391 [0,2,0,0,0,0|1,0,1]=4 10771 B12R0.49 C=C(CSCCSCC)C(=O)OC 62a_100009813391_100000757381 [0,2,0,0,0,0|1,0,1]=4 10772 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,2,0,0,0,0|1,0,1]=4 10773 B12R0.49 C=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000185746 [0,2,0,0,0,0|1,0,1]=4 10774 B12R0.49 C=CC(=O)N(C)CCCCCCC 240690a_100000228206_200121576911 [0,2,0,0,0,0|1,0,1]=4 10775 B12R0.49 C=CC(C)C(=O)CCCCCCC 1458a_100011216780_100000210614 [0,2,0,0,0,0|1,0,0]=3 10776 B12R0.49 C=CC(C)C(=O)CCCCCCF 1458a_100011216780_100015922095 [0,2,0,0,0,0|2,0,0]=4 10777 B12R0.49 C=CC(C)C(=O)CCCCCCO 1458a_100011216780_100000766143 [0,2,0,0,0,0|2,0,0]=4 10778 B12R0.49 C=CC(C)C(=O)CCOCCCC 1458a_100011216780_100000743108 [0,2,0,0,0,0|2,0,0]=4 10779 B12R0.49 C=CC(C)C(=O)NCCCCCC 11a_100000210581_100011216780 [0,2,0,0,0,0|2,0,0]=4 10780 B12R0.49 C=CC(C)C(=O)NCCCCCC 1626a_100000210581_100011216780 [0,2,0,0,0,0|2,0,0]=4 10781 B12R0.49 C=CC(C)C(=O)NCCCCCC 240690a_100000210581_100011216780 [0,2,0,0,0,0|2,0,0]=4 10782 B12R0.49 C=CC(C)C(=O)NCCCCCC 527a_100000210581_100011216780 [0,2,0,0,0,0|2,0,0]=4 10783 B12R0.49 C=CCCCCCC(=O)C(C)OC 1458a_100000743197_100000700193 [0,2,0,0,0,0|0,0,2]=4 10784 B12R0.49 C=CCCCCNC(C)C(=O)OC 2230a_100000703577_100000211248 [0,2,0,0,0,0|0,0,2]=4 10785 B12R0.49 C=CCCCCNC(C)C(=O)OC 34a_100000703577_100000211248 [0,2,0,0,0,0|0,0,2]=4 10786 B12R0.49 C=CCCCCOC(C)C(=O)OC 34a_100000766645_100000211248 [0,2,0,0,0,0|0,0,2]=4 10787 B12R0.49 C=CCCCCOC(C)C(=O)OC 34a_100011215400_100011215482 [0,2,0,0,0,0|0,0,2]=4 10788 B12R0.49 C=CCCCCOC(C)C(=O)OC 7a_100000766645_100000211248 [0,2,0,0,0,0|0,0,2]=4 10789 B12R0.49 C=CCCCCSC(C)C(=O)OC 62a_100000211248_100011215482 [0,2,0,0,0,0|0,0,2]=4 10790 B12R0.49 C=CCCCCSC(C)C(=O)OC 62a_100011215482_100000211248 [0,2,0,0,0,0|0,0,2]=4 10791 B12R0.49 C=CCCCNCC(C)C(=O)OC 34a_100000700776_100000698445 [0,2,0,0,0,0|0,0,2]=4 10792 B12R0.49 C=CCCCOCC(C)C(=O)OC 34a_100000749362_100000757094 [0,2,0,0,0,0|0,0,2]=4 10793 B12R0.49 C=CCCCOCC(C)C(=O)OC 34a_100000758997_100000698445 [0,2,0,0,0,0|0,0,2]=4 10794 B12R0.49 C=CCCCOCC(C)C(=O)OC 7a_100000749362_100000757094 [0,2,0,0,0,0|0,0,2]=4 10795 B12R0.49 C=CCCCOCC(F)C(=O)OC 34a_200009849844_100000757094 [0,2,0,0,0,0|0,0,2]=4 10796 B12R0.49 C=CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757094 [0,2,0,0,0,0|0,0,2]=4 10797 B12R0.49 C=CCCCSCC(C)C(=O)OC 62a_100000698445_100000757094 [0,2,0,0,0,0|0,0,2]=4 10798 B12R0.49 C=CCCCSCC(C)C(=O)OC 62a_100011713584_100000698445 [0,2,0,0,0,0|0,0,2]=4 10799 B12R0.49 C=CCCNCCC(C)C(=O)OC 2230a_100015191253_100000034942 [0,2,0,0,0,0|0,0,2]=4 10800 B12R0.49 C=CCCOCCC(C)C(=O)OC 34a_100011205117_100000034942 [0,2,0,0,0,0|0,0,2]=4 10801 B12R0.49 C=CCCSCCC(C)C(=O)OC 62a_100000034942_100000754431 [0,2,0,0,0,0|0,0,2]=4 10802 B12R0.49 C=CCCSCCC(C)C(=O)OC 62a_100000754431_100000034942 [0,2,0,0,0,0|0,0,2]=4 10803 B12R0.49 CC#CCCOCC(C)C(=O)OC 34a_100000750427_100000698445 [0,2,0,0,0,0|0,0,2]=4 10804 B12R0.49 CC#CCNCCC(C)C(=O)OC 2230a_100000685387_100000034942 [0,2,0,0,0,0|0,0,2]=4 10805 B12R0.49 CC#CCNCCC(C)C(=O)OC 34a_100000685387_100000034942 [0,2,0,0,0,0|0,0,2]=4 10806 B12R0.49 CC#CCOCCC(C)C(=O)OC 34a_100000761923_100000034942 [0,2,0,0,0,0|0,0,2]=4 10807 B12R0.49 CC#CCSCCC(C)C(=O)OC 62a_100000034942_100000748600 [0,2,0,0,0,0|0,0,2]=4 10808 B12R0.49 CC#CCSCCC(C)C(=O)OC 62a_100000748600_100000034942 [0,2,0,0,0,0|0,0,2]=4 10809 B12R0.49 CC(C#N)C(=O)CCCCCCF 1458a_100000753662_100015922095 [0,2,0,0,0,0|2,0,0]=4 10810 B12R0.49 CC(C#N)C(=O)CCCCCCO 1458a_100000753662_100000766143 [0,2,0,0,0,0|2,0,0]=4 10811 B12R0.49 CC(C#N)C(=O)CCCCCCO 1458a_100011996774_100000703298 [0,2,0,0,0,0|2,0,0]=4 10812 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 34a_100011215400_100015370543 [0,2,0,0,0,0|0,0,2]=4 10813 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 34a_100016288707_100000211248 [0,2,0,0,0,0|0,0,2]=4 10814 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 7a_100016288707_100000211248 [0,2,0,0,0,0|0,0,2]=4 10815 B12R0.49 CC/C=C\CCSC(C)C(=O)OC 62a_100000211248_100015370543 [0,2,0,0,0,0|0,0,2]=4 10816 B12R0.49 CC/C=C\CCSC(C)C(=O)OC 62a_100015370543_100000211248 [0,2,0,0,0,0|0,0,2]=4 10817 B12R0.49 CC/C=C\COCC(C)C(=O)OC 34a_100000749362_100103147603 [0,2,0,0,0,0|0,0,2]=4 10818 B12R0.49 CC/C=C\COCC(C)C(=O)OC 34a_100016268518_100000698445 [0,2,0,0,0,0|0,0,2]=4 10819 B12R0.49 CC/C=C\COCC(C)C(=O)OC 7a_100000749362_100103147603 [0,2,0,0,0,0|0,0,2]=4 10820 B12R0.49 CC/C=C\COCC(F)C(=O)OC 34a_200009849844_100103147603 [0,2,0,0,0,0|0,0,2]=4 10821 B12R0.49 CC/C=C\COC[C@@H](N)C(=O)OC 34a_100000003586_100103147603 [0,2,0,0,0,0|0,0,2]=4 10822 B12R0.49 CC/C=C\CSCC(C)C(=O)OC 62a_100000698445_100103147603 [0,2,0,0,0,0|0,0,2]=4 10823 B12R0.49 CC/C=C\CSCC(C)C(=O)OC 62a_100103147603_100000698445 [0,2,0,0,0,0|0,0,2]=4 10824 B12R0.49 CC=CCCCOC(C)C(=O)OC 34a_100020645299_100000211248 [0,2,0,0,0,0|0,0,2]=4 10825 B12R0.49 CC=CCSCCC(C)C(=O)OC 62a_100000034942_100000070051 [0,2,0,0,0,0|0,0,2]=4 10826 B12R0.49 CC=CCSCCC(C)C(=O)OC 62a_100000070051_100000034942 [0,2,0,0,0,0|0,0,2]=4 10827 B12R0.49 CCC#CCCOC(C)C(=O)OC 34a_100000036655_100000211248 [0,2,0,0,0,0|0,0,2]=4 10828 B12R0.49 CCC#CCCOC(C)C(=O)OC 7a_100000036655_100000211248 [0,2,0,0,0,0|0,0,2]=4 10829 B12R0.49 CCC#CCOCC(C)C(=O)OC 34a_100000032950_100000698445 [0,2,0,0,0,0|0,0,2]=4 10830 B12R0.49 CCC#CCOCC(C)C(=O)OC 34a_100000749362_100009813939 [0,2,0,0,0,0|0,0,2]=4 10831 B12R0.49 CCC#CCOCC(C)C(=O)OC 7a_100000749362_100009813939 [0,2,0,0,0,0|0,0,2]=4 10832 B12R0.49 CCC#CCOCC(F)C(=O)OC 34a_200009849844_100009813939 [0,2,0,0,0,0|0,0,2]=4 10833 B12R0.49 CCC#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100009813939 [0,2,0,0,0,0|0,0,2]=4 10834 B12R0.49 CCC#CCSCC(C)C(=O)OC 62a_100000698445_100009813939 [0,2,0,0,0,0|0,0,2]=4 10835 B12R0.49 CCC#CCSCC(C)C(=O)OC 62a_100009813939_100000698445 [0,2,0,0,0,0|0,0,2]=4 10836 B12R0.49 CCC(=O)C(C)NCCCCCO 2230a_100000762737_100000742827 [0,2,0,0,0,0|2,0,0]=4 10837 B12R0.49 CCC(=O)C(C)OCCCCCBr 7a_100000746331_100000742827 [0,2,0,0,0,0|2,0,0]=4 10838 B12R0.49 CCC(=O)C(C)OCCCCCCl 7a_100000746330_100000742827 [0,2,0,0,0,0|2,0,0]=4 10839 B12R0.49 CCC(=O)C(C)OCCCCCI 7a_200012148887_100000742827 [0,2,0,0,0,0|2,0,0]=4 10840 B12R0.49 CCC(=O)C(C)OCCCCSC 7a_100011217163_100000742827 [0,2,0,0,0,0|2,0,0]=4 10841 B12R0.49 CCC(=O)C(C)SCCCCCF 62a_100000729378_100000742827 [0,2,0,0,0,0|2,0,0]=4 10842 B12R0.49 CCC(=O)C(C)SCCCCCF 62a_100000742827_100000729378 [0,2,0,0,0,0|2,0,0]=4 10843 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000742827_100000746330 [0,2,0,0,0,0|2,0,0]=4 10844 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000746330_100000742827 [0,2,0,0,0,0|2,0,0]=4 10845 B12R0.49 CCC(=O)C(C)SCCCCOC 62a_100000730899_100000742827 [0,2,0,0,0,0|2,0,0]=4 10846 B12R0.49 CCC(=O)C(C)SCCCCOC 62a_100000742827_100000730899 [0,2,0,0,0,0|2,0,0]=4 10847 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [0,2,0,0,0,0|2,0,0]=4 10848 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [0,2,0,0,0,0|2,0,0]=4 10849 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [0,2,0,0,0,0|2,0,0]=4 10850 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [0,2,0,0,0,0|2,0,0]=4 10851 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,2,0,0,0,0|2,0,0]=4 10852 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,2,0,0,0,0|2,0,0]=4 10853 B12R0.49 CCC/C=C/COC(C)C(=O)OC 34a_100016278788_100000211248 [0,2,0,0,0,0|0,0,2]=4 10854 B12R0.49 CCC/C=C/COC(C)C(=O)OC 7a_100016278788_100000211248 [0,2,0,0,0,0|0,0,2]=4 10855 B12R0.49 CCCC#CCOC(C)C(=O)OC 34a_100000034806_100000211248 [0,2,0,0,0,0|0,0,2]=4 10856 B12R0.49 CCCC#CCOC(C)C(=O)OC 7a_100000034806_100000211248 [0,2,0,0,0,0|0,0,2]=4 10857 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,2,0,0,0,0|1,0,0]=3 10858 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000211969_100000703298 [0,2,0,0,0,0|1,0,0]=3 10859 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210614 [0,2,0,0,0,0|1,0,0]=3 10860 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,2,0,0,0,0|1,0,0]=3 10861 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,2,0,0,0,0|1,0,0]=3 10862 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,2,0,0,0,0|0,0,0]=2 10863 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [0,2,0,0,0,0|0,1,0]=3 10864 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,2,0,0,0,0|1,0,0]=3 10865 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,2,0,0,0,0|1,0,0]=3 10866 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 10867 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 10868 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 10869 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 10870 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|1,0,0]=3 10871 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|2,0,0]=4 10872 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,2,0,0,0,0|1,0,0]=3 10873 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,2,0,0,0,0|1,0,0]=3 10874 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,2,0,0,0,0|1,0,0]=3 10875 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,2,0,0,0,0|1,0,0]=3 10876 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,2,0,0,0,0|2,0,0]=4 10877 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,2,0,0,0,0|2,0,0]=4 10878 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,2,0,0,0,0|1,0,0]=3 10879 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,2,0,0,0,0|1,0,0]=3 10880 B12R0.49 CCCCCCCN(C)C(C)OC 269982a_100000228206_100009879195 [0,2,0,0,0,0|1,0,1]=4 10881 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 10882 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 10883 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 10884 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,2,0,0,0,0|0,0,1]=3 10885 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,2,0,0,0,0|0,0,1]=3 10886 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,2,0,0,0,0|0,0,1]=3 10887 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,2,0,0,0,0|0,0,1]=3 10888 B12R0.49 CCCCCCNC(=O)C(C)C#N 11a_100000210581_100000753662 [0,2,0,0,0,0|2,0,0]=4 10889 B12R0.49 CCCCCCNC(=O)C(C)C#N 1626a_100000210581_100000753662 [0,2,0,0,0,0|2,0,0]=4 10890 B12R0.49 CCCCCCNC(=O)C(C)C#N 240690a_100000210581_100000753662 [0,2,0,0,0,0|2,0,0]=4 10891 B12R0.49 CCCCCCNC(=O)C(C)C#N 527a_100000210581_100000753662 [0,2,0,0,0,0|2,0,0]=4 10892 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,2,0,0,0,0|2,0,0]=4 10893 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,2,0,0,0,0|2,0,0]=4 10894 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,2,0,0,0,0|2,0,0]=4 10895 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,2,0,0,0,0|2,0,0]=4 10896 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,2,0,0,0,0|1,0,0]=3 10897 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,2,0,0,0,0|1,0,0]=3 10898 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,2,0,0,0,0|1,0,0]=3 10899 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,2,0,0,0,0|1,0,0]=3 10900 B12R0.49 CCCCCCNC(=O)C(C)SC 11a_100000210581_100000149566 [0,2,0,0,0,0|1,1,0]=4 10901 B12R0.49 CCCCCCNC(=O)C(C)SC 1626a_100000210581_100000149566 [0,2,0,0,0,0|1,1,0]=4 10902 B12R0.49 CCCCCCNC(=O)C(C)SC 240690a_100000210581_100000149566 [0,2,0,0,0,0|1,1,0]=4 10903 B12R0.49 CCCCCCNC(=O)C(C)SC 527a_100000210581_100000149566 [0,2,0,0,0,0|1,1,0]=4 10904 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,2,0,0,0,0|2,0,0]=4 10905 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,2,0,0,0,0|2,0,0]=4 10906 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [0,2,0,0,0,0|2,0,0]=4 10907 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [0,2,0,0,0,0|2,0,0]=4 10908 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,2,0,0,0,0|1,0,0]=3 10909 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,2,0,0,0,0|1,0,0]=3 10910 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,2,0,0,0,0|0,0,0]=2 10911 B12R0.49 CCCCCCNC(F)C(=O)NC 2230a_100000210581_100009813575 [0,2,0,0,0,0|1,0,0]=3 10912 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,2,0,0,0,0|1,0,0]=3 10913 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,2,0,0,0,0|1,0,0]=3 10914 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,2,0,0,0,0|1,0,0]=3 10915 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,2,0,0,0,0|1,0,0]=3 10916 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,2,0,0,0,0|1,0,0]=3 10917 B12R0.49 CCCCCCOC(C)C(=O)NN 34a_100000725659_100000210314 [0,2,0,0,0,0|2,0,0]=4 10918 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,2,0,0,0,0|0,0,0]=2 10919 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,2,0,0,0,0|0,0,0]=2 10920 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,2,0,0,0,0|0,0,0]=2 10921 B12R0.49 CCCCCCOC(F)C(=O)NC 34a_100000210259_100009813575 [0,2,0,0,0,0|1,0,0]=3 10922 B12R0.49 CCCCCCOC(F)C(=O)NC 7a_100000210259_100009813575 [0,2,0,0,0,0|1,0,0]=3 10923 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,2,0,0,0,0|1,0,0]=3 10924 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,2,0,0,0,0|1,0,0]=3 10925 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,2,0,0,0,0|1,0,0]=3 10926 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,2,0,0,0,0|1,0,0]=3 10927 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,2,0,0,0,0|0,0,0]=2 10928 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,2,0,0,0,0|0,0,0]=2 10929 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100000210314_100009813575 [0,2,0,0,0,0|1,0,0]=3 10930 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100009813575_100000210757 [0,2,0,0,0,0|1,0,0]=3 10931 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [0,2,0,0,0,0|2,0,0]=4 10932 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100000209983_100000764215 [0,2,0,0,0,0|1,0,0]=3 10933 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210326 [0,2,0,0,0,0|1,0,0]=3 10934 B12R0.49 CCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210326 [0,2,0,0,0,0|1,0,0]=3 10935 B12R0.49 CCCCCNCC(C)C(=O)NC 34a_100015187722_100000718602 [0,2,0,0,0,0|1,0,0]=3 10936 B12R0.49 CCCCCNN=C(C)C(=O)OC 4a_100000694160_100000211753 [0,2,0,0,0,0|1,0,1]=4 10937 B12R0.49 CCCCCNNC(=O)C(C)OC 22a_100000694160_100000743197 [0,2,0,0,0,0|2,0,0]=4 10938 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|0,0,1]=3 10939 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [0,2,0,0,0,0|2,0,0]=4 10940 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [0,2,0,0,0,0|2,0,0]=4 10941 B12R0.49 CCCCCOCC(=O)N(C)OC 7a_100000210253_100000764215 [0,2,0,0,0,0|1,0,0]=3 10942 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,2,0,0,0,0|0,0,0]=2 10943 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,2,0,0,0,0|0,0,0]=2 10944 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,2,0,0,0,0|0,0,0]=2 10945 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,2,0,0,0,0|0,0,0]=2 10946 B12R0.49 CCCCCOCC(N)C(=O)NN 34a_100016989258_100000718602 [0,2,0,0,0,0|2,0,0]=4 10947 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,2,0,0,0,0|0,0,0]=2 10948 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,2,0,0,0,0|0,0,1]=3 10949 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,2,0,0,0,0|0,0,1]=3 10950 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [0,2,0,0,0,0|2,0,0]=4 10951 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [0,2,0,0,0,0|2,0,0]=4 10952 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000210326_100000764215 [0,2,0,0,0,0|1,0,0]=3 10953 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000764215_100000210326 [0,2,0,0,0,0|1,0,0]=3 10954 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,2,0,0,0,0|0,0,0]=2 10955 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,2,0,0,0,0|0,0,0]=2 10956 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,2,0,0,0,0|0,0,0]=2 10957 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,2,0,0,0,0|0,0,0]=2 10958 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,2,0,0,0,0|1,0,1]=4 10959 B12R0.49 CCCCOCCC(=O)C(C)C#N 1458a_100000753662_100000743108 [0,2,0,0,0,0|2,0,0]=4 10960 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [0,2,0,0,0,0|2,0,0]=4 10961 B12R0.49 CCCCOCCC(=O)C(C)OC 1458a_100000743197_100000743108 [0,2,0,0,0,0|1,0,0]=3 10962 B12R0.49 CCCCOCCC(=O)C(C)SC 1458a_100000149566_100000743108 [0,2,0,0,0,0|1,1,0]=4 10963 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,2,0,0,0,0|2,0,0]=4 10964 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,2,0,0,0,0|2,0,0]=4 10965 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,2,0,0,0,0|0,0,0]=2 10966 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,2,0,0,0,0|0,0,0]=2 10967 B12R0.49 CCCCOCN[C@H](C)C(=O)NC 2230a_100000684985_100011995733 [0,2,0,0,0,0|2,0,0]=4 10968 B12R0.49 CCCCOCN[C@H](C)C(=O)NC 34a_100000684985_100011995733 [0,2,0,0,0,0|2,0,0]=4 10969 B12R0.49 CCCCOCOC(C)C(=O)OC 34a_100011215400_100011995733 [0,2,0,0,0,0|1,0,0]=3 10970 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100000742827_100011995733 [0,2,0,0,0,0|2,0,0]=4 10971 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100011995733_100000742827 [0,2,0,0,0,0|2,0,0]=4 10972 B12R0.49 CCCCOCSC(C)C(=O)NC 62a_100000209862_100011995733 [0,2,0,0,0,0|2,0,0]=4 10973 B12R0.49 CCCCOCSC(C)C(=O)NC 62a_100011995733_100000731044 [0,2,0,0,0,0|2,0,0]=4 10974 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100000211248_100011995733 [0,2,0,0,0,0|1,0,0]=3 10975 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100011995733_100000211248 [0,2,0,0,0,0|1,0,0]=3 10976 B12R0.49 CCCCOCSC(F)C(=O)NC 62a_100009813575_100011995733 [0,2,0,0,0,0|2,0,0]=4 10977 B12R0.49 CCCCOCSC(F)C(=O)NC 62a_100011995733_100009813575 [0,2,0,0,0,0|2,0,0]=4 10978 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,2,0,0,0,0|0,0,0]=2 10979 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,2,0,0,0,0|0,0,0]=2 10980 B12R0.49 CCCOCCNC(=O)C(=O)OC 1626a_100161115042_100000024059 [0,2,0,0,0,0|1,0,1]=4 10981 B12R0.49 CCCOCCNC(=O)C(=O)OC 240690a_100161115042_100000024059 [0,2,0,0,0,0|1,0,1]=4 10982 B12R0.49 CCCOCCNC(=O)C(=O)OC 527a_100161115042_100000024059 [0,2,0,0,0,0|1,0,1]=4 10983 B12R0.49 CCCOCCNC(=O)C(C)OC 1626a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 10984 B12R0.49 CCCOCCNC(=O)C(C)OC 240690a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 10985 B12R0.49 CCCOCCNC(=O)C(C)OC 527a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 10986 B12R0.49 CCCOCCNC(C)C(=O)CC 2230a_100161115042_100000742827 [0,2,0,0,0,0|2,0,0]=4 10987 B12R0.49 CCCOCCNC(C)C(=O)NC 2230a_100161115042_100000731044 [0,2,0,0,0,0|2,0,0]=4 10988 B12R0.49 CCCOCCNC(C)C(=O)NC 34a_100161115042_100000731044 [0,2,0,0,0,0|2,0,0]=4 10989 B12R0.49 CCCOCCNC(C)C(=O)OC 2230a_100161115042_100000211248 [0,2,0,0,0,0|1,0,0]=3 10990 B12R0.49 CCCOCCNC(C)C(=O)OC 34a_100161115042_100000211248 [0,2,0,0,0,0|1,0,0]=3 10991 B12R0.49 CCCOCCNC(F)C(=O)NC 2230a_100161115042_100009813575 [0,2,0,0,0,0|2,0,0]=4 10992 B12R0.49 CCCOCCNC(F)C(=O)NC 34a_100161115042_100009813575 [0,2,0,0,0,0|2,0,0]=4 10993 B12R0.49 CCCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215938 [0,2,0,0,0,0|2,0,0]=4 10994 B12R0.49 CCCOCCN[C@H](C)C(=O)NC 34a_100000684985_100011215938 [0,2,0,0,0,0|2,0,0]=4 10995 B12R0.49 CCCOCCOC(C)C(=O)CC 7a_100000752267_100000742827 [0,2,0,0,0,0|2,0,0]=4 10996 B12R0.49 CCCOCCOC(C)C(=O)NC 34a_100000752267_100000731044 [0,2,0,0,0,0|2,0,0]=4 10997 B12R0.49 CCCOCCOC(C)C(=O)NC 7a_100000752267_100000209862 [0,2,0,0,0,0|2,0,0]=4 10998 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100000752267_100000211248 [0,2,0,0,0,0|1,0,0]=3 10999 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100011215400_100011215938 [0,2,0,0,0,0|1,0,0]=3 11000 B12R0.49 CCCOCCOC(C)C(=O)OC 7a_100000752267_100000211248 [0,2,0,0,0,0|1,0,0]=3 11001 B12R0.49 CCCOCCOC(F)C(=O)NC 34a_100000752267_100009813575 [0,2,0,0,0,0|2,0,0]=4 11002 B12R0.49 CCCOCCOC(F)C(=O)NC 7a_100000752267_100009813575 [0,2,0,0,0,0|2,0,0]=4 11003 B12R0.49 CCCOCCSC(C)C(=O)CC 62a_100000742827_100011215938 [0,2,0,0,0,0|2,0,0]=4 11004 B12R0.49 CCCOCCSC(C)C(=O)CC 62a_100011215938_100000742827 [0,2,0,0,0,0|2,0,0]=4 11005 B12R0.49 CCCOCCSC(C)C(=O)NC 62a_100000209862_100011215938 [0,2,0,0,0,0|2,0,0]=4 11006 B12R0.49 CCCOCCSC(C)C(=O)NC 62a_100011215938_100000731044 [0,2,0,0,0,0|2,0,0]=4 11007 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100000211248_100011215938 [0,2,0,0,0,0|1,0,0]=3 11008 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100011215938_100000211248 [0,2,0,0,0,0|1,0,0]=3 11009 B12R0.49 CCCOCCSC(F)C(=O)NC 62a_100009813575_100011215938 [0,2,0,0,0,0|2,0,0]=4 11010 B12R0.49 CCCOCCSC(F)C(=O)NC 62a_100011215938_100009813575 [0,2,0,0,0,0|2,0,0]=4 11011 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100000210303_100011842776 [0,2,0,0,0,0|1,0,0]=3 11012 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100011842776_100000210303 [0,2,0,0,0,0|1,0,0]=3 11013 B12R0.49 CCCSCCNC(=O)C(=O)OC 11a_100020603323_100000024059 [0,2,0,0,0,0|1,0,1]=4 11014 B12R0.49 CCCSCCNC(=O)C(=O)OC 240690a_100020603323_100000024059 [0,2,0,0,0,0|1,0,1]=4 11015 B12R0.49 CCCSCCNC(=O)C(=O)OC 527a_100020603323_100000024059 [0,2,0,0,0,0|1,0,1]=4 11016 B12R0.49 CCCSCCNC(=O)C(C)OC 11a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 11017 B12R0.49 CCCSCCNC(=O)C(C)OC 240690a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 11018 B12R0.49 CCCSCCNC(=O)C(C)OC 527a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 11019 B12R0.49 CCCSCCNC(C)C(=O)CC 2230a_100020603323_100000742827 [0,2,0,0,0,0|2,0,0]=4 11020 B12R0.49 CCCSCCNC(C)C(=O)NC 2230a_100020603323_100000731044 [0,2,0,0,0,0|2,0,0]=4 11021 B12R0.49 CCCSCCNC(C)C(=O)OC 2230a_100020603323_100000211248 [0,2,0,0,0,0|1,0,0]=3 11022 B12R0.49 CCCSCCNC(F)C(=O)NC 2230a_100020603323_100009813575 [0,2,0,0,0,0|2,0,0]=4 11023 B12R0.49 CCCSCCOC(C)C(=O)CC 7a_200000230433_100000742827 [0,2,0,0,0,0|2,0,0]=4 11024 B12R0.49 CCCSCCOC(C)C(=O)NC 34a_200000230433_100000731044 [0,2,0,0,0,0|2,0,0]=4 11025 B12R0.49 CCCSCCOC(C)C(=O)NC 7a_200000230433_100000209862 [0,2,0,0,0,0|2,0,0]=4 11026 B12R0.49 CCCSCCOC(C)C(=O)OC 34a_200000230433_100000211248 [0,2,0,0,0,0|1,0,0]=3 11027 B12R0.49 CCCSCCOC(C)C(=O)OC 7a_200000230433_100000211248 [0,2,0,0,0,0|1,0,0]=3 11028 B12R0.49 CCCSCCOC(F)C(=O)NC 34a_200000230433_100009813575 [0,2,0,0,0,0|2,0,0]=4 11029 B12R0.49 CCCSCCOC(F)C(=O)NC 7a_200000230433_100009813575 [0,2,0,0,0,0|2,0,0]=4 11030 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [0,2,0,0,0,0|2,0,0]=4 11031 B12R0.49 CCN(C)C(=O)CCCCCOC 11a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 11032 B12R0.49 CCN(C)C(=O)CCCCCOC 1626a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 11033 B12R0.49 CCN(C)C(=O)CCCCCOC 240690a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 11034 B12R0.49 CCN(C)C(=O)CCCCCOC 527a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 11035 B12R0.49 CCOCCCNC(=O)C(=O)OC 11a_100000210961_100000024059 [0,2,0,0,0,0|1,0,1]=4 11036 B12R0.49 CCOCCCNC(=O)C(=O)OC 1626a_100000210961_100000024059 [0,2,0,0,0,0|1,0,1]=4 11037 B12R0.49 CCOCCCNC(=O)C(=O)OC 240690a_100000210961_100000024059 [0,2,0,0,0,0|1,0,1]=4 11038 B12R0.49 CCOCCCNC(=O)C(=O)OC 527a_100000210961_100000024059 [0,2,0,0,0,0|1,0,1]=4 11039 B12R0.49 CCOCCCNC(=O)C(C)OC 11a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 11040 B12R0.49 CCOCCCNC(=O)C(C)OC 1626a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 11041 B12R0.49 CCOCCCNC(=O)C(C)OC 240690a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 11042 B12R0.49 CCOCCCNC(=O)C(C)OC 527a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 11043 B12R0.49 CCOCCCNC(C)C(=O)CC 2230a_100000210961_100000742827 [0,2,0,0,0,0|2,0,0]=4 11044 B12R0.49 CCOCCCNC(C)C(=O)NC 2230a_100000210961_100000731044 [0,2,0,0,0,0|2,0,0]=4 11045 B12R0.49 CCOCCCNC(C)C(=O)NC 34a_100000210961_100000731044 [0,2,0,0,0,0|2,0,0]=4 11046 B12R0.49 CCOCCCNC(C)C(=O)OC 2230a_100000210961_100000211248 [0,2,0,0,0,0|1,0,0]=3 11047 B12R0.49 CCOCCCNC(C)C(=O)OC 34a_100000210961_100000211248 [0,2,0,0,0,0|1,0,0]=3 11048 B12R0.49 CCOCCCNC(F)C(=O)NC 2230a_100000210961_100009813575 [0,2,0,0,0,0|2,0,0]=4 11049 B12R0.49 CCOCCCNC(F)C(=O)NC 34a_100000210961_100009813575 [0,2,0,0,0,0|2,0,0]=4 11050 B12R0.49 CCOCCCN[C@H](C)C(=O)NC 2230a_100000684985_100012232248 [0,2,0,0,0,0|2,0,0]=4 11051 B12R0.49 CCOCCCN[C@H](C)C(=O)NC 34a_100000684985_100012232248 [0,2,0,0,0,0|2,0,0]=4 11052 B12R0.49 CCOCCCOC(C)C(=O)CC 7a_100000757476_100000742827 [0,2,0,0,0,0|2,0,0]=4 11053 B12R0.49 CCOCCCOC(C)C(=O)NC 34a_100000757476_100000731044 [0,2,0,0,0,0|2,0,0]=4 11054 B12R0.49 CCOCCCOC(C)C(=O)NC 7a_100000757476_100000209862 [0,2,0,0,0,0|2,0,0]=4 11055 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100000757476_100000211248 [0,2,0,0,0,0|1,0,0]=3 11056 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100011215400_100012232248 [0,2,0,0,0,0|1,0,0]=3 11057 B12R0.49 CCOCCCOC(C)C(=O)OC 7a_100000757476_100000211248 [0,2,0,0,0,0|1,0,0]=3 11058 B12R0.49 CCOCCCOC(F)C(=O)NC 34a_100000757476_100009813575 [0,2,0,0,0,0|2,0,0]=4 11059 B12R0.49 CCOCCCOC(F)C(=O)NC 7a_100000757476_100009813575 [0,2,0,0,0,0|2,0,0]=4 11060 B12R0.49 CCOCCCSC(C)C(=O)CC 62a_100000742827_100012232248 [0,2,0,0,0,0|2,0,0]=4 11061 B12R0.49 CCOCCCSC(C)C(=O)CC 62a_100012232248_100000742827 [0,2,0,0,0,0|2,0,0]=4 11062 B12R0.49 CCOCCCSC(C)C(=O)NC 62a_100000209862_100012232248 [0,2,0,0,0,0|2,0,0]=4 11063 B12R0.49 CCOCCCSC(C)C(=O)NC 62a_100012232248_100000731044 [0,2,0,0,0,0|2,0,0]=4 11064 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100000211248_100012232248 [0,2,0,0,0,0|1,0,0]=3 11065 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100012232248_100000211248 [0,2,0,0,0,0|1,0,0]=3 11066 B12R0.49 CCOCCCSC(F)C(=O)NC 62a_100009813575_100012232248 [0,2,0,0,0,0|2,0,0]=4 11067 B12R0.49 CCOCCCSC(F)C(=O)NC 62a_100012232248_100009813575 [0,2,0,0,0,0|2,0,0]=4 11068 B12R0.49 CCOCCNCC(=O)C(=O)OC 34a_102516460346_100011610305 [0,2,0,0,0,0|1,0,1]=4 11069 B12R0.49 CCOCCNCC(=O)N(C)OC 2230a_100015207273_100011215890 [0,2,0,0,0,0|2,0,0]=4 11070 B12R0.49 CCOCCNCC(=O)N(C)OC 2230a_102516460346_100000764215 [0,2,0,0,0,0|2,0,0]=4 11071 B12R0.49 CCOCCNCC(C)C(=O)NC 2230a_100015187722_100011215890 [0,2,0,0,0,0|2,0,0]=4 11072 B12R0.49 CCOCCNCC(C)C(=O)NC 34a_100015187722_100000210147 [0,2,0,0,0,0|2,0,0]=4 11073 B12R0.49 CCOCCNCC(C)C(=O)OC 34a_102516460346_100000698445 [0,2,0,0,0,0|1,0,0]=3 11074 B12R0.49 CCOCCOCC(=O)C(=O)OC 34a_100000210136_100011610305 [0,2,0,0,0,0|1,0,1]=4 11075 B12R0.49 CCOCCOCC(=O)N(C)OC 7a_100000210136_100000764215 [0,2,0,0,0,0|2,0,0]=4 11076 B12R0.49 CCOCCOCC(C)C(=O)OC 34a_100000210136_100000698445 [0,2,0,0,0,0|1,0,0]=3 11077 B12R0.49 CCOCCOCC(C)C(=O)OC 34a_100000749362_100000210147 [0,2,0,0,0,0|1,0,0]=3 11078 B12R0.49 CCOCCOCC(C)C(=O)OC 7a_100000749362_100011215890 [0,2,0,0,0,0|1,0,0]=3 11079 B12R0.49 CCOCCOCC(F)C(=O)OC 34a_200009849844_100000210147 [0,2,0,0,0,0|1,0,0]=3 11080 B12R0.49 CCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210147 [0,2,0,0,0,0|1,0,0]=3 11081 B12R0.49 CCOCCSCC(=O)C(=O)OC 62a_100000210147_100011610305 [0,2,0,0,0,0|1,0,1]=4 11082 B12R0.49 CCOCCSCC(=O)C(=O)OC 62a_100011610305_100011215890 [0,2,0,0,0,0|1,0,1]=4 11083 B12R0.49 CCOCCSCC(=O)N(C)OC 62a_100000210147_100000764215 [0,2,0,0,0,0|2,0,0]=4 11084 B12R0.49 CCOCCSCC(=O)N(C)OC 62a_100000764215_100011215890 [0,2,0,0,0,0|2,0,0]=4 11085 B12R0.49 CCOCCSCC(C)C(=O)OC 62a_100000210147_100000698445 [0,2,0,0,0,0|1,0,0]=3 11086 B12R0.49 CCOCCSCC(C)C(=O)OC 62a_100000698445_100011215890 [0,2,0,0,0,0|1,0,0]=3 11087 B12R0.49 CCOCSCCC(C)C(=O)OC 62a_100000034942_100000739092 [0,2,0,0,0,0|1,0,0]=3 11088 B12R0.49 CCOCSCCC(C)C(=O)OC 62a_100000739092_100000034942 [0,2,0,0,0,0|1,0,0]=3 11089 B12R0.49 CCSCCCOC(C)C(=O)CC 7a_100011216438_100000742827 [0,2,0,0,0,0|2,0,0]=4 11090 B12R0.49 CCSCCCOC(C)C(=O)NC 34a_100011216438_100000731044 [0,2,0,0,0,0|2,0,0]=4 11091 B12R0.49 CCSCCCOC(C)C(=O)NC 7a_100011216438_100000209862 [0,2,0,0,0,0|2,0,0]=4 11092 B12R0.49 CCSCCCOC(C)C(=O)OC 34a_100011216438_100000211248 [0,2,0,0,0,0|1,0,0]=3 11093 B12R0.49 CCSCCCOC(C)C(=O)OC 7a_100011216438_100000211248 [0,2,0,0,0,0|1,0,0]=3 11094 B12R0.49 CCSCCCOC(F)C(=O)NC 34a_100011216438_100009813575 [0,2,0,0,0,0|2,0,0]=4 11095 B12R0.49 CCSCCCOC(F)C(=O)NC 7a_100011216438_100009813575 [0,2,0,0,0,0|2,0,0]=4 11096 B12R0.49 CCSCCNCC(=O)N(C)OC 2230a_100000106463_100000764215 [0,2,0,0,0,0|2,0,0]=4 11097 B12R0.49 CCSCCNCC(=O)N(C)OC 2230a_100015207273_100000757381 [0,2,0,0,0,0|2,0,0]=4 11098 B12R0.49 CCSCCNCC(C)C(=O)NC 2230a_100015187722_100000757381 [0,2,0,0,0,0|2,0,0]=4 11099 B12R0.49 CCSCCNCC(C)C(=O)NC 34a_100015187722_100000757381 [0,2,0,0,0,0|2,0,0]=4 11100 B12R0.49 CCSCCOCC(=O)C(=O)OC 34a_100000212035_100011610305 [0,2,0,0,0,0|1,0,1]=4 11101 B12R0.49 CCSCCOCC(=O)N(C)OC 7a_100000212035_100000764215 [0,2,0,0,0,0|2,0,0]=4 11102 B12R0.49 CCSCCOCC(C)C(=O)OC 34a_100000212035_100000698445 [0,2,0,0,0,0|1,0,0]=3 11103 B12R0.49 CCSCCOCC(C)C(=O)OC 34a_100000749362_100000757381 [0,2,0,0,0,0|1,0,0]=3 11104 B12R0.49 CCSCCOCC(C)C(=O)OC 7a_100000749362_100000757381 [0,2,0,0,0,0|1,0,0]=3 11105 B12R0.49 CCSCCOCC(F)C(=O)OC 34a_200009849844_100000757381 [0,2,0,0,0,0|1,0,0]=3 11106 B12R0.49 CCSCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757381 [0,2,0,0,0,0|1,0,0]=3 11107 B12R0.49 CCSCCSCC(=O)C(=O)OC 62a_100000757381_100011610305 [0,2,0,0,0,0|1,0,1]=4 11108 B12R0.49 CCSCCSCC(=O)C(=O)OC 62a_100011610305_100000757381 [0,2,0,0,0,0|1,0,1]=4 11109 B12R0.49 CCSCCSCC(=O)N(C)OC 62a_100000757381_100000764215 [0,2,0,0,0,0|2,0,0]=4 11110 B12R0.49 CCSCCSCC(=O)N(C)OC 62a_100000764215_100000757381 [0,2,0,0,0,0|2,0,0]=4 11111 B12R0.49 CCSCCSCC(C)C(=O)OC 62a_100000698445_100000757381 [0,2,0,0,0,0|1,0,0]=3 11112 B12R0.49 CCSCCSCC(C)C(=O)OC 62a_100000757381_100000698445 [0,2,0,0,0,0|1,0,0]=3 11113 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,2,0,0,0,0|1,0,1]=4 11114 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,2,0,0,0,0|1,0,1]=4 11115 B12R0.49 CNC(=O)C(C)CNCCCCF 2230a_100015187722_100000729493 [0,2,0,0,0,0|2,0,0]=4 11116 B12R0.49 CNC(=O)C(C)CNCCCCF 34a_100015187722_100000729493 [0,2,0,0,0,0|2,0,0]=4 11117 B12R0.49 CNC(=O)C(C)CNCCCCO 2230a_100015187722_100000210776 [0,2,0,0,0,0|2,0,0]=4 11118 B12R0.49 CNC(=O)C(C)CNCCCCO 34a_100015187722_100011216708 [0,2,0,0,0,0|2,0,0]=4 11119 B12R0.49 CNC(=O)C(C)CNCCCOC 2230a_100015187722_100000740836 [0,2,0,0,0,0|2,0,0]=4 11120 B12R0.49 CNC(=O)C(C)CNCCCOC 34a_100015187722_100000740836 [0,2,0,0,0,0|2,0,0]=4 11121 B12R0.49 CNC(=O)C(C)NCCCCCO 2230a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 11122 B12R0.49 CNC(=O)C(C)NCCCCCO 34a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 11123 B12R0.49 CNC(=O)C(C)OCCCCCBr 34a_100000746331_100000731044 [0,2,0,0,0,0|2,0,0]=4 11124 B12R0.49 CNC(=O)C(C)OCCCCCBr 7a_100000746331_100000209862 [0,2,0,0,0,0|2,0,0]=4 11125 B12R0.49 CNC(=O)C(C)OCCCCCCl 34a_100000746330_100000731044 [0,2,0,0,0,0|2,0,0]=4 11126 B12R0.49 CNC(=O)C(C)OCCCCCCl 7a_100000746330_100000209862 [0,2,0,0,0,0|2,0,0]=4 11127 B12R0.49 CNC(=O)C(C)OCCCCCI 34a_200012148887_100000731044 [0,2,0,0,0,0|2,0,0]=4 11128 B12R0.49 CNC(=O)C(C)OCCCCCI 7a_200012148887_100000209862 [0,2,0,0,0,0|2,0,0]=4 11129 B12R0.49 CNC(=O)C(C)OCCCCCN 34a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 11130 B12R0.49 CNC(=O)C(C)OCCCCOC 34a_100000740925_100000731044 [0,2,0,0,0,0|2,0,0]=4 11131 B12R0.49 CNC(=O)C(C)OCCCCSC 34a_100011217163_100000731044 [0,2,0,0,0,0|2,0,0]=4 11132 B12R0.49 CNC(=O)C(C)OCCCCSC 7a_100011217163_100000209862 [0,2,0,0,0,0|2,0,0]=4 11133 B12R0.49 CNC(=O)C(C)SCCCCCF 62a_100000209862_100000729378 [0,2,0,0,0,0|2,0,0]=4 11134 B12R0.49 CNC(=O)C(C)SCCCCCF 62a_100000729378_100000731044 [0,2,0,0,0,0|2,0,0]=4 11135 B12R0.49 CNC(=O)C(C)SCCCCCO 62a_100000209862_100000746330 [0,2,0,0,0,0|2,0,0]=4 11136 B12R0.49 CNC(=O)C(C)SCCCCCO 62a_100000746330_100000731044 [0,2,0,0,0,0|2,0,0]=4 11137 B12R0.49 CNC(=O)C(C)SCCCCOC 62a_100000209862_100000730899 [0,2,0,0,0,0|2,0,0]=4 11138 B12R0.49 CNC(=O)C(C)SCCCCOC 62a_100000730899_100000731044 [0,2,0,0,0,0|2,0,0]=4 11139 B12R0.49 CNC(=O)C(F)NCCCCCO 2230a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 11140 B12R0.49 CNC(=O)C(F)NCCCCCO 34a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 11141 B12R0.49 CNC(=O)C(F)OCCCCCBr 34a_100000746331_100009813575 [0,2,0,0,0,0|2,0,0]=4 11142 B12R0.49 CNC(=O)C(F)OCCCCCBr 7a_100000746331_100009813575 [0,2,0,0,0,0|2,0,0]=4 11143 B12R0.49 CNC(=O)C(F)OCCCCCCl 34a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 11144 B12R0.49 CNC(=O)C(F)OCCCCCCl 7a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 11145 B12R0.49 CNC(=O)C(F)OCCCCCI 34a_200012148887_100009813575 [0,2,0,0,0,0|2,0,0]=4 11146 B12R0.49 CNC(=O)C(F)OCCCCCI 7a_200012148887_100009813575 [0,2,0,0,0,0|2,0,0]=4 11147 B12R0.49 CNC(=O)C(F)OCCCCCN 34a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 11148 B12R0.49 CNC(=O)C(F)OCCCCOC 34a_100000740925_100009813575 [0,2,0,0,0,0|2,0,0]=4 11149 B12R0.49 CNC(=O)C(F)OCCCCSC 34a_100011217163_100009813575 [0,2,0,0,0,0|2,0,0]=4 11150 B12R0.49 CNC(=O)C(F)OCCCCSC 7a_100011217163_100009813575 [0,2,0,0,0,0|2,0,0]=4 11151 B12R0.49 CNC(=O)C(F)SCCCCCF 62a_100000729378_100009813575 [0,2,0,0,0,0|2,0,0]=4 11152 B12R0.49 CNC(=O)C(F)SCCCCCF 62a_100009813575_100000729378 [0,2,0,0,0,0|2,0,0]=4 11153 B12R0.49 CNC(=O)C(F)SCCCCCO 62a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 11154 B12R0.49 CNC(=O)C(F)SCCCCCO 62a_100009813575_100000746330 [0,2,0,0,0,0|2,0,0]=4 11155 B12R0.49 CNC(=O)C(F)SCCCCOC 62a_100000730899_100009813575 [0,2,0,0,0,0|2,0,0]=4 11156 B12R0.49 CNC(=O)C(F)SCCCCOC 62a_100009813575_100000730899 [0,2,0,0,0,0|2,0,0]=4 11157 B12R0.49 CNC(=O)[C@@H](C)NCCCCCF 2230a_100000684985_100000729378 [0,2,0,0,0,0|2,0,0]=4 11158 B12R0.49 CNC(=O)[C@@H](C)NCCCCCF 34a_100000684985_100000729378 [0,2,0,0,0,0|2,0,0]=4 11159 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO 2230a_100000684985_100000746330 [0,2,0,0,0,0|2,0,0]=4 11160 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO 34a_100000684985_100000746330 [0,2,0,0,0,0|2,0,0]=4 11161 B12R0.49 CNC(=O)[C@@H](C)NCCCCOC 2230a_100000684985_100000730899 [0,2,0,0,0,0|2,0,0]=4 11162 B12R0.49 CNC(=O)[C@@H](C)NCCCCOC 34a_100000684985_100000755781 [0,2,0,0,0,0|2,0,0]=4 11163 B12R0.49 CNCCCOCC(=O)C(=O)OC 34a_100000213112_100011610305 [0,2,0,0,0,0|1,0,1]=4 11164 B12R0.49 CNCCCOCC(C)C(=O)OC 34a_100000213112_100000698445 [0,2,0,0,0,0|1,0,0]=3 11165 B12R0.49 COC(=O)C(=O)CNCCCCO 34a_100000750430_100011610305 [0,2,0,0,0,0|1,0,1]=4 11166 B12R0.49 COC(=O)C(=O)COCCCCBr 34a_100011216708_100011610305 [0,2,0,0,0,0|1,0,1]=4 11167 B12R0.49 COC(=O)C(=O)COCCCCCl 34a_100000210776_100011610305 [0,2,0,0,0,0|1,0,1]=4 11168 B12R0.49 COC(=O)C(=O)COCCCCF 34a_100011995726_100011610305 [0,2,0,0,0,0|1,0,1]=4 11169 B12R0.49 COC(=O)C(=O)COCCCCI 34a_200012148704_100011610305 [0,2,0,0,0,0|1,0,1]=4 11170 B12R0.49 COC(=O)C(=O)COCCCCN 34a_100000750430_100011610305 [0,2,0,0,0,0|1,0,1]=4 11171 B12R0.49 COC(=O)C(=O)COCCCSC 34a_100000690336_100011610305 [0,2,0,0,0,0|1,0,1]=4 11172 B12R0.49 COC(=O)C(=O)CSCCCCF 62a_100000729493_100011610305 [0,2,0,0,0,0|1,0,1]=4 11173 B12R0.49 COC(=O)C(=O)CSCCCCF 62a_100011610305_100000729493 [0,2,0,0,0,0|1,0,1]=4 11174 B12R0.49 COC(=O)C(=O)CSCCCCO 62a_100000210776_100011610305 [0,2,0,0,0,0|1,0,1]=4 11175 B12R0.49 COC(=O)C(=O)CSCCCCO 62a_100011610305_100000210776 [0,2,0,0,0,0|1,0,1]=4 11176 B12R0.49 COC(=O)C(=O)NCCCCCO 240690a_100000762737_100000024059 [0,2,0,0,0,0|1,0,1]=4 11177 B12R0.49 COC(=O)C(C)CCNCCCF 2230a_100015189416_100000034942 [0,2,0,0,0,0|1,0,0]=3 11178 B12R0.49 COC(=O)C(C)CCNCCCF 34a_100015189416_100000034942 [0,2,0,0,0,0|1,0,0]=3 11179 B12R0.49 COC(=O)C(C)CCNCCSC 2230a_100020590264_100000034942 [0,2,0,0,0,0|1,0,0]=3 11180 B12R0.49 COC(=O)C(C)CCOCCCBr 34a_100011217188_100000034942 [0,2,0,0,0,0|1,0,0]=3 11181 B12R0.49 COC(=O)C(C)CCOCCCCl 34a_100000230001_100000034942 [0,2,0,0,0,0|1,0,0]=3 11182 B12R0.49 COC(=O)C(C)CCOCCCF 34a_100000759539_100000034942 [0,2,0,0,0,0|1,0,0]=3 11183 B12R0.49 COC(=O)C(C)CCOCCCN 34a_100000182051_100000034942 [0,2,0,0,0,0|1,0,0]=3 11184 B12R0.49 COC(=O)C(C)CCOCCON 34a_100000700252_100000034942 [0,2,0,0,0,0|2,0,0]=4 11185 B12R0.49 COC(=O)C(C)CCOCCSC 34a_100000230434_100000034942 [0,2,0,0,0,0|1,0,0]=3 11186 B12R0.49 COC(=O)C(C)CCOCCSC 7a_100000230434_100000034942 [0,2,0,0,0,0|1,0,0]=3 11187 B12R0.49 COC(=O)C(C)CCSCCC#N 62a_100000034942_100011215226 [0,2,0,0,0,0|1,0,1]=4 11188 B12R0.49 COC(=O)C(C)CCSCCC#N 62a_100011215226_100000034942 [0,2,0,0,0,0|1,0,1]=4 11189 B12R0.49 COC(=O)C(C)CCSCCCF 62a_100000034942_100011934791 [0,2,0,0,0,0|1,0,0]=3 11190 B12R0.49 COC(=O)C(C)CCSCCCF 62a_100011934791_100000034942 [0,2,0,0,0,0|1,0,0]=3 11191 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100000034942_100011215043 [0,2,0,0,0,0|1,0,0]=3 11192 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100011215043_100000034942 [0,2,0,0,0,0|1,0,0]=3 11193 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000034942_100000751147 [0,2,0,0,0,0|1,0,0]=3 11194 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000212216_100000034942 [0,2,0,0,0,0|1,0,0]=3 11195 B12R0.49 COC(=O)C(C)CNCCCCO 34a_100000750430_100000698445 [0,2,0,0,0,0|1,0,0]=3 11196 B12R0.49 COC(=O)C(C)COCCCC#N 7a_100000749362_100000687738 [0,2,0,0,0,0|1,0,1]=4 11197 B12R0.49 COC(=O)C(C)COCCCC=O 7a_100000749362_200011292268 [0,2,0,0,0,0|1,0,1]=4 11198 B12R0.49 COC(=O)C(C)COCCCCBr 34a_100011216708_100000698445 [0,2,0,0,0,0|1,0,0]=3 11199 B12R0.49 COC(=O)C(C)COCCCCCl 34a_100000210776_100000698445 [0,2,0,0,0,0|1,0,0]=3 11200 B12R0.49 COC(=O)C(C)COCCCCF 34a_100000749362_100000729493 [0,2,0,0,0,0|1,0,0]=3 11201 B12R0.49 COC(=O)C(C)COCCCCF 34a_100011995726_100000698445 [0,2,0,0,0,0|1,0,0]=3 11202 B12R0.49 COC(=O)C(C)COCCCCF 7a_100000749362_100000729493 [0,2,0,0,0,0|1,0,0]=3 11203 B12R0.49 COC(=O)C(C)COCCCCI 34a_200012148704_100000698445 [0,2,0,0,0,0|1,0,0]=3 11204 B12R0.49 COC(=O)C(C)COCCCCN 34a_100000750430_100000698445 [0,2,0,0,0,0|1,0,0]=3 11205 B12R0.49 COC(=O)C(C)COCCCCO 34a_100000749362_100011216708 [0,2,0,0,0,0|1,0,0]=3 11206 B12R0.49 COC(=O)C(C)COCCCCO 7a_100000749362_100000210776 [0,2,0,0,0,0|1,0,0]=3 11207 B12R0.49 COC(=O)C(C)COCCCSC 34a_100000690336_100000698445 [0,2,0,0,0,0|1,0,0]=3 11208 B12R0.49 COC(=O)C(C)CSCCCC#N 62a_100000687738_100000698445 [0,2,0,0,0,0|1,0,1]=4 11209 B12R0.49 COC(=O)C(C)CSCCCC#N 62a_100000698445_100000687738 [0,2,0,0,0,0|1,0,1]=4 11210 B12R0.49 COC(=O)C(C)CSCCCC=O 62a_100000698445_200011292268 [0,2,0,0,0,0|1,0,1]=4 11211 B12R0.49 COC(=O)C(C)CSCCCC=O 62a_200011292268_100000698445 [0,2,0,0,0,0|1,0,1]=4 11212 B12R0.49 COC(=O)C(C)CSCCCCF 62a_100000698445_100000729493 [0,2,0,0,0,0|1,0,0]=3 11213 B12R0.49 COC(=O)C(C)CSCCCCF 62a_100000729493_100000698445 [0,2,0,0,0,0|1,0,0]=3 11214 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000210776_100000698445 [0,2,0,0,0,0|1,0,0]=3 11215 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000698445_100000210776 [0,2,0,0,0,0|1,0,0]=3 11216 B12R0.49 COC(=O)C(C)NCCCCCO 2230a_100000762737_100000211248 [0,2,0,0,0,0|1,0,0]=3 11217 B12R0.49 COC(=O)C(C)NCCCCCO 34a_100000762737_100000211248 [0,2,0,0,0,0|1,0,0]=3 11218 B12R0.49 COC(=O)C(C)NCCOCCO 2230a_100000211614_100000211248 [0,2,0,0,0,0|2,0,0]=4 11219 B12R0.49 COC(=O)C(C)NCCOCCO 34a_100000211614_100000211248 [0,2,0,0,0,0|2,0,0]=4 11220 B12R0.49 COC(=O)C(C)NCCSCCO 2230a_100011219999_100000211248 [0,2,0,0,0,0|2,0,0]=4 11221 B12R0.49 COC(=O)C(C)OCCCCCBr 34a_100000746331_100000211248 [0,2,0,0,0,0|1,0,0]=3 11222 B12R0.49 COC(=O)C(C)OCCCCCBr 7a_100000746331_100000211248 [0,2,0,0,0,0|1,0,0]=3 11223 B12R0.49 COC(=O)C(C)OCCCCCCl 34a_100000746330_100000211248 [0,2,0,0,0,0|1,0,0]=3 11224 B12R0.49 COC(=O)C(C)OCCCCCCl 7a_100000746330_100000211248 [0,2,0,0,0,0|1,0,0]=3 11225 B12R0.49 COC(=O)C(C)OCCCCCF 34a_100011215400_100000729378 [0,2,0,0,0,0|1,0,0]=3 11226 B12R0.49 COC(=O)C(C)OCCCCCI 34a_200012148887_100000211248 [0,2,0,0,0,0|1,0,0]=3 11227 B12R0.49 COC(=O)C(C)OCCCCCI 7a_200012148887_100000211248 [0,2,0,0,0,0|1,0,0]=3 11228 B12R0.49 COC(=O)C(C)OCCCCCN 34a_100000762737_100000211248 [0,2,0,0,0,0|1,0,0]=3 11229 B12R0.49 COC(=O)C(C)OCCCCCO 34a_100011215400_100000746330 [0,2,0,0,0,0|1,0,0]=3 11230 B12R0.49 COC(=O)C(C)OCCCCSC 34a_100011217163_100000211248 [0,2,0,0,0,0|1,0,0]=3 11231 B12R0.49 COC(=O)C(C)OCCCCSC 7a_100011217163_100000211248 [0,2,0,0,0,0|1,0,0]=3 11232 B12R0.49 COC(=O)C(C)OCCOCCBr 34a_100000692535_100000211248 [0,2,0,0,0,0|2,0,0]=4 11233 B12R0.49 COC(=O)C(C)OCCOCCBr 7a_100000692535_100000211248 [0,2,0,0,0,0|2,0,0]=4 11234 B12R0.49 COC(=O)C(C)OCCOCCCl 34a_100011215305_100000211248 [0,2,0,0,0,0|2,0,0]=4 11235 B12R0.49 COC(=O)C(C)OCCOCCCl 7a_100011215305_100000211248 [0,2,0,0,0,0|2,0,0]=4 11236 B12R0.49 COC(=O)C(C)OCCOCCF 34a_200015357709_100000211248 [0,2,0,0,0,0|2,0,0]=4 11237 B12R0.49 COC(=O)C(C)OCCOCCF 7a_200015357709_100000211248 [0,2,0,0,0,0|2,0,0]=4 11238 B12R0.49 COC(=O)C(C)OCCOCCI 34a_100012149058_100000211248 [0,2,0,0,0,0|2,0,0]=4 11239 B12R0.49 COC(=O)C(C)OCCOCCI 7a_100012149058_100000211248 [0,2,0,0,0,0|2,0,0]=4 11240 B12R0.49 COC(=O)C(C)OCCOCCN 34a_100000211614_100000211248 [0,2,0,0,0,0|2,0,0]=4 11241 B12R0.49 COC(=O)C(C)OCCOCCO 34a_100011215400_100000692535 [0,2,0,0,0,0|2,0,0]=4 11242 B12R0.49 COC(=O)C(C)SCCCCC#N 62a_100000211248_100000211819 [0,2,0,0,0,0|1,0,1]=4 11243 B12R0.49 COC(=O)C(C)SCCCCC#N 62a_100011219923_100000211248 [0,2,0,0,0,0|1,0,1]=4 11244 B12R0.49 COC(=O)C(C)SCCCCC=O 62a_100000139335_100000211248 [0,2,0,0,0,0|1,0,1]=4 11245 B12R0.49 COC(=O)C(C)SCCCCC=O 62a_100000211248_100000139335 [0,2,0,0,0,0|1,0,1]=4 11246 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000211248_100000729378 [0,2,0,0,0,0|1,0,0]=3 11247 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000729378_100000211248 [0,2,0,0,0,0|1,0,0]=3 11248 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000211248_100000746330 [0,2,0,0,0,0|1,0,0]=3 11249 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000746330_100000211248 [0,2,0,0,0,0|1,0,0]=3 11250 B12R0.49 COC(=O)C(C)SCCOCCO 62a_100000211248_100011215305 [0,2,0,0,0,0|2,0,0]=4 11251 B12R0.49 COC(=O)C(C)SCCOCCO 62a_100011215305_100000211248 [0,2,0,0,0,0|2,0,0]=4 11252 B12R0.49 COC(=O)C(F)COCCCCF 34a_200009849844_100000729493 [0,2,0,0,0,0|1,0,0]=3 11253 B12R0.49 COC(=O)C(F)COCCCCO 34a_200009849844_100011216708 [0,2,0,0,0,0|1,0,0]=3 11254 B12R0.49 COC(=O)[C@H](N)COCCCCF 34a_100000003586_100000729493 [0,2,0,0,0,0|1,0,0]=3 11255 B12R0.49 COC(=O)[C@H](N)COCCCCO 34a_100000003586_100011216708 [0,2,0,0,0,0|1,0,0]=3 11256 B12R0.49 COC(C)C(=O)CCCCCC#N 1458a_100000743197_100009813376 [0,2,0,0,0,0|1,0,1]=4 11257 B12R0.49 COC(C)C(=O)CCCCCCF 1458a_100000743197_100015922095 [0,2,0,0,0,0|1,0,0]=3 11258 B12R0.49 COC(C)C(=O)CCCCCCO 1458a_100000743197_100000766143 [0,2,0,0,0,0|1,0,0]=3 11259 B12R0.49 COC(C)C(=O)NCCCCCO 240690a_100000762737_100000743197 [0,2,0,0,0,0|2,0,0]=4 11260 B12R0.49 COCCCCCC(=O)C(C)C#N 1458a_100011935119_100000703298 [0,2,0,0,0,0|2,0,0]=4 11261 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100000740925_100000211248 [0,2,0,0,0,0|1,0,0]=3 11262 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100011215400_100000755781 [0,2,0,0,0,0|1,0,0]=3 11263 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000211248_100000730899 [0,2,0,0,0,0|1,0,0]=3 11264 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000730899_100000211248 [0,2,0,0,0,0|1,0,0]=3 11265 B12R0.49 COCCCNCC(=O)C(=O)OC 34a_100150723488_100011610305 [0,2,0,0,0,0|1,0,1]=4 11266 B12R0.49 COCCCNCC(=O)N(C)OC 2230a_100015207273_100000740836 [0,2,0,0,0,0|2,0,0]=4 11267 B12R0.49 COCCCNCC(C)C(=O)OC 34a_100150723488_100000698445 [0,2,0,0,0,0|1,0,0]=3 11268 B12R0.49 COCCCOCC(=O)C(=O)OC 34a_100000740835_100011610305 [0,2,0,0,0,0|1,0,1]=4 11269 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000740835_100000698445 [0,2,0,0,0,0|1,0,0]=3 11270 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000749362_100000740836 [0,2,0,0,0,0|1,0,0]=3 11271 B12R0.49 COCCCOCC(C)C(=O)OC 7a_100000749362_100000740836 [0,2,0,0,0,0|1,0,0]=3 11272 B12R0.49 COCCCOCC(F)C(=O)OC 34a_200009849844_100000740836 [0,2,0,0,0,0|1,0,0]=3 11273 B12R0.49 COCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000740836 [0,2,0,0,0,0|1,0,0]=3 11274 B12R0.49 COCCCSCC(=O)C(=O)OC 62a_100000709357_100011610305 [0,2,0,0,0,0|1,0,1]=4 11275 B12R0.49 COCCCSCC(=O)C(=O)OC 62a_100011610305_100000709357 [0,2,0,0,0,0|1,0,1]=4 11276 B12R0.49 COCCCSCC(=O)N(C)OC 62a_100000709357_100000764215 [0,2,0,0,0,0|2,0,0]=4 11277 B12R0.49 COCCCSCC(=O)N(C)OC 62a_100000764215_100000709357 [0,2,0,0,0,0|2,0,0]=4 11278 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000698445_100000709357 [0,2,0,0,0,0|1,0,0]=3 11279 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000709357_100000698445 [0,2,0,0,0,0|1,0,0]=3 11280 B12R0.49 COCCNCCC(C)C(=O)OC 2230a_100000209980_100000034942 [0,2,0,0,0,0|1,0,0]=3 11281 B12R0.49 COCCOCCC(=O)C(C)OC 1458a_100000743197_100000695917 [0,2,0,0,0,0|2,0,0]=4 11282 B12R0.49 COCCOCCC(C)C(=O)OC 34a_100000210237_100000034942 [0,2,0,0,0,0|1,0,0]=3 11283 B12R0.49 COCCOCSC(C)C(=O)OC 62a_100000211248_100000231047 [0,2,0,0,0,0|2,0,0]=4 11284 B12R0.49 COCCOCSC(C)C(=O)OC 62a_100000231047_100000211248 [0,2,0,0,0,0|2,0,0]=4 11285 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000034942_100000233755 [0,2,0,0,0,0|1,0,0]=3 11286 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000233755_100000034942 [0,2,0,0,0,0|1,0,0]=3 11287 B12R0.49 COCSCCCC(=O)N(C)OC 62a_100000766300_100011842776 [0,2,0,0,0,0|2,0,0]=4 11288 B12R0.49 COCSCCCC(=O)N(C)OC 62a_100011842776_100000766300 [0,2,0,0,0,0|2,0,0]=4 11289 B12R0.49 CON(C)C(=O)CCCSCCF 62a_100011217306_100011842776 [0,2,0,0,0,0|2,0,0]=4 11290 B12R0.49 CON(C)C(=O)CCCSCCF 62a_100011842776_100011217306 [0,2,0,0,0,0|2,0,0]=4 11291 B12R0.49 CON(C)C(=O)CCCSCCO 62a_100000211926_100011842776 [0,2,0,0,0,0|2,0,0]=4 11292 B12R0.49 CON(C)C(=O)CCCSCCO 62a_100011842776_100000211926 [0,2,0,0,0,0|2,0,0]=4 11293 B12R0.49 CON(C)C(=O)CCCSCSC 62a_100011218213_100011842776 [0,2,0,0,0,0|2,0,0]=4 11294 B12R0.49 CON(C)C(=O)CCCSCSC 62a_100011842776_100011218213 [0,2,0,0,0,0|2,0,0]=4 11295 B12R0.49 CON(C)C(=O)CNCCCCF 2230a_100015207273_100000729493 [0,2,0,0,0,0|2,0,0]=4 11296 B12R0.49 CON(C)C(=O)CNCCCCO 2230a_100000750430_100000764215 [0,2,0,0,0,0|2,0,0]=4 11297 B12R0.49 CON(C)C(=O)CNCCCCO 2230a_100015207273_100000210776 [0,2,0,0,0,0|2,0,0]=4 11298 B12R0.49 CON(C)C(=O)CNCCCSC 2230a_100000749238_100000764215 [0,2,0,0,0,0|2,0,0]=4 11299 B12R0.49 CON(C)C(=O)COCCCCCl 7a_100000210776_100000764215 [0,2,0,0,0,0|2,0,0]=4 11300 B12R0.49 CON(C)C(=O)COCCCCF 7a_100011995726_100000764215 [0,2,0,0,0,0|2,0,0]=4 11301 B12R0.49 CON(C)C(=O)COCCCSC 7a_100000690336_100000764215 [0,2,0,0,0,0|2,0,0]=4 11302 B12R0.49 CON(C)C(=O)CSCCCCF 62a_100000729493_100000764215 [0,2,0,0,0,0|2,0,0]=4 11303 B12R0.49 CON(C)C(=O)CSCCCCF 62a_100000764215_100000729493 [0,2,0,0,0,0|2,0,0]=4 11304 B12R0.49 CON(C)C(=O)CSCCCCO 62a_100000210776_100000764215 [0,2,0,0,0,0|2,0,0]=4 11305 B12R0.49 CON(C)C(=O)CSCCCCO 62a_100000764215_100000210776 [0,2,0,0,0,0|2,0,0]=4 11306 B12R0.49 CSC(C)C(=O)CCCCCCF 1458a_100000149566_100015922095 [0,2,0,0,0,0|1,1,0]=4 11307 B12R0.49 CSC(C)C(=O)CCCCCCO 1458a_100000149566_100000766143 [0,2,0,0,0,0|1,1,0]=4 11308 B12R0.49 O=C(CCCCCCF)C(O)CO 1458a_100011215603_100015922095 [0,2,0,0,0,0|2,0,0]=4 11309 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [0,2,0,0,0,0|2,0,0]=4 11310 B12R0.101 C#CCC(=O)CCC(C)CCCC 1458a_100000033779_100000184674 [0,2,0,0,0,0|1,0,1]=4 11311 B12R0.101 C=CCC(=O)CCC(C)CCCC 1458a_100000033779_100000210623 [0,2,0,0,0,0|1,0,1]=4 11312 B12R0.101 C=COC(=O)CNC(C)CCCC 2230a_100000126638_100000036128 [0,2,0,0,0,0|1,0,1]=4 11313 B12R0.101 C=COC(=O)COC(C)CCCC 34a_100000687866_100000036128 [0,2,0,0,0,0|1,0,1]=4 11314 B12R0.101 C=COC(=O)CSC(C)CCCC 62a_100000036128_200011215066 [0,2,0,0,0,0|1,0,1]=4 11315 B12R0.101 C=COC(=O)CSC(C)CCCC 62a_200011215066_100000036128 [0,2,0,0,0,0|1,0,1]=4 11316 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,2,0,0,0,0|1,0,1]=4 11317 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,2,0,0,0,0|0,0,1]=3 11318 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,2,0,0,0,0|1,0,1]=4 11319 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,2,0,0,0,0|1,0,1]=4 11320 B12R0.101 CCCCC(C)CCC(=O)CC#N 1458a_100000033779_100011214920 [0,2,0,0,0,0|1,0,1]=4 11321 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,2,0,0,0,0|1,0,0]=3 11322 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,2,0,0,0,0|1,0,0]=3 11323 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,2,0,0,0,0|1,0,0]=3 11324 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 11325 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 11326 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 11327 B12R0.101 CCCCC(C)CCC(=O)NNC 22a_100016993582_100000033779 [0,2,0,0,0,0|1,0,0]=3 11328 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,2,0,0,0,0|2,0,0]=4 11329 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [0,2,0,0,0,0|2,0,0]=4 11330 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [0,2,0,0,0,0|2,0,0]=4 11331 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [0,2,0,0,0,0|2,0,0]=4 11332 B12R0.101 CCCCC(C)NCC(=O)NCO 2230a_100000126638_100000185155 [0,2,0,0,0,0|2,0,0]=4 11333 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,2,0,0,0,0|1,0,0]=3 11334 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,2,0,0,0,0|2,0,0]=4 11335 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,2,0,0,0,0|2,0,0]=4 11336 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,2,0,0,0,0|2,0,0]=4 11337 B12R0.101 CCCCC(C)OCC(=O)NCO 34a_100000687866_100000185155 [0,2,0,0,0,0|2,0,0]=4 11338 B12R0.101 CCCCC(C)OCC(=O)NCO 7a_100000687866_100000185155 [0,2,0,0,0,0|2,0,0]=4 11339 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,2,0,0,0,0|1,0,0]=3 11340 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,2,0,0,0,0|1,0,0]=3 11341 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,2,0,0,0,0|2,0,0]=4 11342 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,2,0,0,0,0|2,0,0]=4 11343 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [0,2,0,0,0,0|2,0,0]=4 11344 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [0,2,0,0,0,0|2,0,0]=4 11345 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_100000185155_200011215066 [0,2,0,0,0,0|2,0,0]=4 11346 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_200011215066_100000185155 [0,2,0,0,0,0|2,0,0]=4 11347 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,2,0,0,0,0|1,0,0]=3 11348 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,2,0,0,0,0|1,0,0]=3 11349 B12R0.101 CCCCN(C)CCC(=O)NCC 2230a_100000207549_100000737597 [0,2,0,0,0,0|2,0,0]=4 11350 B12R0.101 CCCCN(C)CCC(=O)NCC 269982a_100000207549_100000737597 [0,2,0,0,0,0|2,0,0]=4 11351 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,2,0,0,0,0|1,0,0]=3 11352 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,2,0,0,0,0|1,0,0]=3 11353 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,2,0,0,0,0|1,0,0]=3 11354 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,2,0,0,0,0|1,0,0]=3 11355 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 11356 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 11357 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 11358 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,2,0,0,0,0|1,0,0]=3 11359 B12R0.101 CCCOC(C)CNC(=O)COC 11a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 11360 B12R0.101 CCCOC(C)CNC(=O)COC 1626a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 11361 B12R0.101 CCCOC(C)CNC(=O)COC 240690a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 11362 B12R0.101 CCCOC(C)CNC(=O)COC 527a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 11363 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,2,0,0,0,0|1,0,0]=3 11364 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,2,0,0,0,0|1,0,0]=3 11365 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [0,2,0,0,0,0|1,0,1]=4 11366 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [0,2,0,0,0,0|1,0,1]=4 11367 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [0,2,0,0,0,0|1,0,1]=4 11368 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [0,2,0,0,0,0|1,0,1]=4 11369 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [0,2,0,0,0,0|2,0,0]=4 11370 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [0,2,0,0,0,0|2,0,0]=4 11371 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [0,2,0,0,0,0|2,0,0]=4 11372 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [0,2,0,0,0,0|2,0,0]=4 11373 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [0,2,0,0,0,0|2,0,0]=4 11374 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [0,2,0,0,0,0|2,0,0]=4 11375 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [0,2,0,0,0,0|2,0,0]=4 11376 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [0,2,0,0,0,0|2,0,0]=4 11377 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [0,2,0,0,0,0|2,0,0]=4 11378 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000748298_100000766300 [0,2,0,0,0,0|2,0,0]=4 11379 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000766300_100000748298 [0,2,0,0,0,0|2,0,0]=4 11380 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100000748298_100011218213 [0,2,0,0,0,0|2,0,0]=4 11381 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100011218213_100000748298 [0,2,0,0,0,0|2,0,0]=4 11382 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [0,2,0,0,0,0|2,0,0]=4 11383 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [0,2,0,0,0,0|2,0,0]=4 11384 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [0,2,0,0,0,0|2,0,0]=4 11385 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [0,2,0,0,0,0|2,0,0]=4 11386 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [0,2,0,0,0,0|2,0,0]=4 11387 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [0,2,0,0,0,0|2,0,0]=4 11388 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [0,2,0,0,0,0|2,0,0]=4 11389 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [0,2,0,0,0,0|2,0,0]=4 11390 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [0,2,0,0,0,0|2,0,0]=4 11391 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [0,2,0,0,0,0|2,0,0]=4 11392 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [0,2,0,0,0,0|2,0,0]=4 11393 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [0,2,0,0,0,0|2,0,0]=4 11394 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [0,2,0,0,0,0|2,0,0]=4 11395 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [0,2,0,0,0,0|2,0,0]=4 11396 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,2,0,0,0,0|2,0,0]=4 11397 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,2,0,0,0,0|2,0,0]=4 11398 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,2,0,0,0,0|2,0,0]=4 11399 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,2,0,0,0,0|2,0,0]=4 11400 B12R0.101 CCOCC(O)CNC(=O)COC 240690a_102515437182_100000210968 [0,2,0,0,0,0|2,0,0]=4 11401 B12R0.101 CCOCC(O)CNC(=O)COC 527a_102515437182_100000210968 [0,2,0,0,0,0|2,0,0]=4 11402 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [0,2,0,0,0,0|2,0,0]=4 11403 B12R0.101 COCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210968 [0,2,0,0,0,0|2,0,0]=4 11404 B12R0.101 COCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210968 [0,2,0,0,0,0|2,0,0]=4 11405 B12R0.114 C#CCC(=O)C(C)CCCCCC 1458a_100011220946_100011215978 [0,2,0,0,0,0|1,0,1]=4 11406 B12R0.114 C#CCC(=O)C(O)CCCCCC 1458a_100011215828_100000184674 [0,2,0,0,0,0|1,0,1]=4 11407 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [0,2,0,0,0,0|1,0,1]=4 11408 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [0,2,0,0,0,0|1,0,1]=4 11409 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [0,2,0,0,0,0|1,0,1]=4 11410 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [0,2,0,0,0,0|1,0,1]=4 11411 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [0,2,0,0,0,0|1,0,1]=4 11412 B12R0.114 C=CCC(=O)C(C)CCCCCC 1458a_100000210193_100011215978 [0,2,0,0,0,0|1,0,1]=4 11413 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,2,0,0,0,0|1,0,1]=4 11414 B12R0.114 CC#CC(=O)C(C)CCCCCC 1458a_100000763181_100011215978 [0,2,0,0,0,0|1,0,0]=3 11415 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [0,2,0,0,0,0|1,0,0]=3 11416 B12R0.114 CC=CC(=O)N(C)CCCCCC 11a_106256046315_100000210699 [0,2,0,0,0,0|2,0,0]=4 11417 B12R0.114 CC=CC(=O)N(C)CCCCCC 1626a_106256046315_100000210699 [0,2,0,0,0,0|2,0,0]=4 11418 B12R0.114 CC=CC(=O)N(C)CCCCCC 240690a_106256046315_100000210699 [0,2,0,0,0,0|2,0,0]=4 11419 B12R0.114 CCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210757 [0,2,0,0,0,0|1,0,1]=4 11420 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,2,0,0,0,0|1,0,1]=4 11421 B12R0.114 CCCCCCC(C)C(=O)C=CBr 1458a_100016273825_100011215978 [0,2,0,0,0,0|1,0,1]=4 11422 B12R0.114 CCCCCCC(C)C(=O)C=CCl 1458a_200016279998_100011215978 [0,2,0,0,0,0|1,0,1]=4 11423 B12R0.114 CCCCCCC(C)C(=O)C=CI 1458a_100016256311_100011215978 [0,2,0,0,0,0|1,0,1]=4 11424 B12R0.114 CCCCCCC(C)C(=O)CC#N 1458a_100051588842_100011215978 [0,2,0,0,0,0|1,0,1]=4 11425 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,2,0,0,0,0|1,0,0]=3 11426 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,2,0,0,0,0|1,0,0]=3 11427 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,2,0,0,0,0|0,0,0]=2 11428 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [0,2,0,0,0,0|0,1,0]=3 11429 B12R0.114 CCCCCCC(O)C(=O)CC#N 1458a_100011215828_100011214920 [0,2,0,0,0,0|1,0,1]=4 11430 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,2,0,0,0,0|1,0,0]=3 11431 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,2,0,0,0,0|1,0,0]=3 11432 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,2,0,0,0,0|1,0,0]=3 11433 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,2,0,0,0,0|1,0,0]=3 11434 B12R0.114 CCCCCCC(O)C(=O)NNC 22a_100016993582_100011215828 [0,2,0,0,0,0|1,0,0]=3 11435 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [0,2,0,0,0,0|2,0,0]=4 11436 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [0,2,0,0,0,0|2,0,0]=4 11437 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [0,2,0,0,0,0|2,0,0]=4 11438 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [0,2,0,0,0,0|2,0,0]=4 11439 B12R0.114 CCCCCCN(C)C(=O)CCO 240690a_106256046315_100011216618 [0,2,0,0,0,0|2,0,0]=4 11440 B12R0.114 CCCCCCN(C)C(=O)COC 11a_106256046315_100000210968 [0,2,0,0,0,0|1,0,0]=3 11441 B12R0.114 CCCCCCN(C)C(=O)COC 1626a_106256046315_100000210968 [0,2,0,0,0,0|1,0,0]=3 11442 B12R0.114 CCCCCCN(C)C(=O)COC 240690a_106256046315_100000210968 [0,2,0,0,0,0|1,0,0]=3 11443 B12R0.114 CCCCCCN(C)C(=O)COC 527a_106256046315_100000210968 [0,2,0,0,0,0|1,0,0]=3 11444 B12R0.114 CCCCCCN(C)C(=O)CSC 11a_106256046315_100000184570 [0,2,0,0,0,0|1,1,0]=4 11445 B12R0.114 CCCCCCN(C)C(=O)CSC 1626a_106256046315_100000184570 [0,2,0,0,0,0|1,1,0]=4 11446 B12R0.114 CCCCCCN(C)C(=O)CSC 240690a_106256046315_100000184570 [0,2,0,0,0,0|1,1,0]=4 11447 B12R0.114 CCCCCCN(C)C(=O)CSC 527a_106256046315_100000184570 [0,2,0,0,0,0|1,1,0]=4 11448 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [0,2,0,0,0,0|2,0,0]=4 11449 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [0,2,0,0,0,0|2,0,0]=4 11450 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 11451 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 11452 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 11453 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [0,2,0,0,0,0|2,0,0]=4 11454 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [0,2,0,0,0,0|2,0,0]=4 11455 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [0,2,0,0,0,0|2,0,0]=4 11456 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [0,2,0,0,0,0|1,0,0]=3 11457 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [0,2,0,0,0,0|1,0,0]=3 11458 B12R0.114 CCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210326 [0,2,0,0,0,0|1,1,0]=4 11459 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [0,2,0,0,0,0|2,0,0]=4 11460 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [0,2,0,0,0,0|2,0,0]=4 11461 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [0,2,0,0,0,0|1,0,0]=3 11462 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [0,2,0,0,0,0|1,0,0]=3 11463 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [0,2,0,0,0,0|1,0,0]=3 11464 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [0,2,0,0,0,0|1,0,0]=3 11465 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [0,2,0,0,0,0|1,0,0]=3 11466 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [0,2,0,0,0,0|2,0,0]=4 11467 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [0,2,0,0,0,0|2,0,0]=4 11468 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [0,2,0,0,0,0|1,0,0]=3 11469 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [0,2,0,0,0,0|1,0,0]=3 11470 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [0,2,0,0,0,0|1,0,0]=3 11471 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [0,2,0,0,0,0|1,0,0]=3 11472 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [0,2,0,0,0,0|1,0,1]=4 11473 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [0,2,0,0,0,0|1,0,1]=4 11474 B12R0.114 CCOC(=O)C(C)NCCCCO 2230a_100000750430_100011215307 [0,2,0,0,0,0|2,0,0]=4 11475 B12R0.114 CCOC(=O)C(C)NCCCCO 34a_100000750430_100011216346 [0,2,0,0,0,0|2,0,0]=4 11476 B12R0.114 CCOC(=O)C(C)NCCCOC 34a_100150723488_100011216346 [0,2,0,0,0,0|2,0,0]=4 11477 B12R0.114 CCOC(=O)C(C)NCCCSC 2230a_100000749238_100011215307 [0,2,0,0,0,0|2,0,0]=4 11478 B12R0.114 CCOC(=O)C(C)NCCSCC 2230a_100000106463_100011215307 [0,2,0,0,0,0|2,0,0]=4 11479 B12R0.114 CCOC(=O)C(C)OCCCCBr 34a_100011216708_100011216346 [0,2,0,0,0,0|2,0,0]=4 11480 B12R0.114 CCOC(=O)C(C)OCCCCCl 34a_100000210776_100011216346 [0,2,0,0,0,0|2,0,0]=4 11481 B12R0.114 CCOC(=O)C(C)OCCCCCl 7a_100000210776_100011216346 [0,2,0,0,0,0|2,0,0]=4 11482 B12R0.114 CCOC(=O)C(C)OCCCCF 34a_100011995726_100011216346 [0,2,0,0,0,0|2,0,0]=4 11483 B12R0.114 CCOC(=O)C(C)OCCCCF 7a_100011995726_100011216346 [0,2,0,0,0,0|2,0,0]=4 11484 B12R0.114 CCOC(=O)C(C)OCCCCI 34a_200012148704_100011216346 [0,2,0,0,0,0|2,0,0]=4 11485 B12R0.114 CCOC(=O)C(C)OCCCCN 34a_100000750430_100011216346 [0,2,0,0,0,0|2,0,0]=4 11486 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [0,2,0,0,0,0|2,0,0]=4 11487 B12R0.114 CCOC(=O)C(C)OCCCOC 34a_100000740835_100011216346 [0,2,0,0,0,0|2,0,0]=4 11488 B12R0.114 CCOC(=O)C(C)OCCCSC 34a_100000690336_100011216346 [0,2,0,0,0,0|2,0,0]=4 11489 B12R0.114 CCOC(=O)C(C)OCCCSC 7a_100000690336_100011216346 [0,2,0,0,0,0|2,0,0]=4 11490 B12R0.114 CCOC(=O)C(C)OCCSCC 34a_100000212035_100011216346 [0,2,0,0,0,0|2,0,0]=4 11491 B12R0.114 CCOC(=O)C(C)OCCSCC 7a_100000212035_100011216346 [0,2,0,0,0,0|2,0,0]=4 11492 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100000729493_100011216346 [0,2,0,0,0,0|2,0,0]=4 11493 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100011216346_100000729493 [0,2,0,0,0,0|2,0,0]=4 11494 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100000210776_100011216346 [0,2,0,0,0,0|2,0,0]=4 11495 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100011216346_100000210776 [0,2,0,0,0,0|2,0,0]=4 11496 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100000709357_100011216346 [0,2,0,0,0,0|2,0,0]=4 11497 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100011216346_100000709357 [0,2,0,0,0,0|2,0,0]=4 11498 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100000757381_100011216346 [0,2,0,0,0,0|2,0,0]=4 11499 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100011216346_100000757381 [0,2,0,0,0,0|2,0,0]=4 11500 B12R0.114 CCOC(=O)C(F)NCCCCO 2230a_100000750430_100000760018 [0,2,0,0,0,0|2,0,0]=4 11501 B12R0.114 CCOC(=O)C(F)NCCCCO 34a_100000750430_100000760018 [0,2,0,0,0,0|2,0,0]=4 11502 B12R0.114 CCOC(=O)C(F)NCCCOC 34a_100150723488_100000760018 [0,2,0,0,0,0|2,0,0]=4 11503 B12R0.114 CCOC(=O)C(F)NCCCSC 2230a_100000749238_100000760018 [0,2,0,0,0,0|2,0,0]=4 11504 B12R0.114 CCOC(=O)C(F)NCCSCC 2230a_100000106463_100000760018 [0,2,0,0,0,0|2,0,0]=4 11505 B12R0.114 CCOC(=O)C(F)OCCCCBr 34a_100011216708_100000760018 [0,2,0,0,0,0|2,0,0]=4 11506 B12R0.114 CCOC(=O)C(F)OCCCCCl 34a_100000210776_100000760018 [0,2,0,0,0,0|2,0,0]=4 11507 B12R0.114 CCOC(=O)C(F)OCCCCCl 7a_100000210776_100000040065 [0,2,0,0,0,0|2,0,0]=4 11508 B12R0.114 CCOC(=O)C(F)OCCCCF 34a_100011995726_100000760018 [0,2,0,0,0,0|2,0,0]=4 11509 B12R0.114 CCOC(=O)C(F)OCCCCF 7a_100011995726_100000040065 [0,2,0,0,0,0|2,0,0]=4 11510 B12R0.114 CCOC(=O)C(F)OCCCCI 34a_200012148704_100000760018 [0,2,0,0,0,0|2,0,0]=4 11511 B12R0.114 CCOC(=O)C(F)OCCCCN 34a_100000750430_100000760018 [0,2,0,0,0,0|2,0,0]=4 11512 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 11513 B12R0.114 CCOC(=O)C(F)OCCCOC 34a_100000740835_100000760018 [0,2,0,0,0,0|2,0,0]=4 11514 B12R0.114 CCOC(=O)C(F)OCCCSC 34a_100000690336_100000760018 [0,2,0,0,0,0|2,0,0]=4 11515 B12R0.114 CCOC(=O)C(F)OCCCSC 7a_100000690336_100000040065 [0,2,0,0,0,0|2,0,0]=4 11516 B12R0.114 CCOC(=O)C(F)OCCSCC 34a_100000212035_100000760018 [0,2,0,0,0,0|2,0,0]=4 11517 B12R0.114 CCOC(=O)C(F)OCCSCC 7a_100000212035_100000040065 [0,2,0,0,0,0|2,0,0]=4 11518 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000729493_100000760018 [0,2,0,0,0,0|2,0,0]=4 11519 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000760018_100000729493 [0,2,0,0,0,0|2,0,0]=4 11520 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000210776_100000760018 [0,2,0,0,0,0|2,0,0]=4 11521 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000760018_100000210776 [0,2,0,0,0,0|2,0,0]=4 11522 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000709357_100000760018 [0,2,0,0,0,0|2,0,0]=4 11523 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000760018_100000709357 [0,2,0,0,0,0|2,0,0]=4 11524 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000757381_100000760018 [0,2,0,0,0,0|2,0,0]=4 11525 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000760018_100000757381 [0,2,0,0,0,0|2,0,0]=4 11526 B12R0.114 CCOC(=O)[C@H](C)OCCCCF 7a_100000751109_100000729493 [0,2,0,0,0,0|2,0,0]=4 11527 B12R0.114 CCOC(=O)[C@H](C)OCCCCO 7a_100000751109_100000210776 [0,2,0,0,0,0|2,0,0]=4 11528 B12R0.114 CCOC(=O)[C@H](C)OCCCOC 7a_100000751109_100000740836 [0,2,0,0,0,0|2,0,0]=4 11529 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7a_100000751109_100000757381 [0,2,0,0,0,0|2,0,0]=4 11530 B12R0.114 CCOCCNC(C)C(=O)OCC 2230a_102516460346_100011215307 [0,2,0,0,0,0|2,0,0]=4 11531 B12R0.114 CCOCCNC(C)C(=O)OCC 34a_102516460346_100011216346 [0,2,0,0,0,0|2,0,0]=4 11532 B12R0.114 CCOCCNC(F)C(=O)OCC 2230a_102516460346_100000760018 [0,2,0,0,0,0|2,0,0]=4 11533 B12R0.114 CCOCCNC(F)C(=O)OCC 34a_102516460346_100000760018 [0,2,0,0,0,0|2,0,0]=4 11534 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [0,2,0,0,0,0|2,0,0]=4 11535 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [0,2,0,0,0,0|2,0,0]=4 11536 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [0,2,0,0,0,0|2,0,0]=4 11537 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [0,2,0,0,0,0|2,0,0]=4 11538 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [0,2,0,0,0,0|2,0,0]=4 11539 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100000210147_100011216346 [0,2,0,0,0,0|2,0,0]=4 11540 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100011216346_100011215890 [0,2,0,0,0,0|2,0,0]=4 11541 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000210147_100000760018 [0,2,0,0,0,0|2,0,0]=4 11542 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000760018_100011215890 [0,2,0,0,0,0|2,0,0]=4 11543 B12R0.114 COCC(=O)N(C)CCCCCO 240690a_100000722520_100000210968 [0,2,0,0,0,0|2,0,0]=4 11544 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [0,2,0,0,0,0|1,0,1]=4 11545 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [0,2,0,0,0,0|1,0,1]=4 11546 B12R0.121 C=CC(CCCCCCC)OCF 34a_200011934235_100015361967 [0,2,0,0,0,0|1,0,1]=4 11547 B12R0.121 C=CC(CCCCCCC)OCF 7a_200011934235_100015361967 [0,2,0,0,0,0|1,0,1]=4 11548 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,2,0,0,0,0|1,0,1]=4 11549 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,2,0,0,0,0|1,0,1]=4 11550 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [0,2,0,0,0,0|1,0,1]=4 11551 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [0,2,0,0,0,0|1,0,1]=4 11552 B12R0.121 CCCCCCCN(CC)CC=O 2230a_100000228213_200015260668 [0,2,0,0,0,0|2,0,0]=4 11553 B12R0.121 CCCCCCCN(CC)CC=O 269982a_100000228213_200015260668 [0,2,0,0,0,0|2,0,0]=4 11554 B12R0.121 CCCCCCCN(CC)COC 2230a_100000228213_100000766300 [0,2,0,0,0,0|2,0,0]=4 11555 B12R0.121 CCCCCCCN(CC)COC 269982a_100000228213_100000766300 [0,2,0,0,0,0|2,0,0]=4 11556 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,2,0,0,0,0|1,0,0]=3 11557 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,2,0,0,0,0|1,0,0]=3 11558 B12R0.206 C#CCCC(=O)CCCCCCF 1458a_100000692101_100015922095 [0,2,0,0,0,0|2,0,0]=4 11559 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,2,0,0,0,0|2,0,0]=4 11560 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,2,0,0,0,0|2,0,0]=4 11561 B12R0.206 C#CCCC(=O)CCCCCOC 1458a_100011935119_100000753159 [0,2,0,0,0,0|2,0,0]=4 11562 B12R0.206 C#CCCC(=O)CCOCCCC 1458a_100000692101_100000743108 [0,2,0,0,0,0|2,0,0]=4 11563 B12R0.206 C#CCCC(=O)CCOCCCC 34a_100011064465_100000210210 [0,2,0,0,0,0|2,0,0]=4 11564 B12R0.206 C#CCCC(=O)CCOCCCC 7a_100011064465_100000210211 [0,2,0,0,0,0|2,0,0]=4 11565 B12R0.206 C#CCCC(=O)NCCCCCC 11a_100000210581_100000692101 [0,2,0,0,0,0|2,0,0]=4 11566 B12R0.206 C#CCCC(=O)NCCCCCC 1626a_100000210581_100000692101 [0,2,0,0,0,0|2,0,0]=4 11567 B12R0.206 C#CCCC(=O)NCCCCCC 240690a_100000210581_100000692101 [0,2,0,0,0,0|2,0,0]=4 11568 B12R0.206 C#CCCC(=O)NCCCCCC 527a_100000210581_100000692101 [0,2,0,0,0,0|2,0,0]=4 11569 B12R0.206 C#CCCCCCC(=O)C=COC 1458a_100016268678_100012094781 [0,2,0,0,0,0|0,0,2]=4 11570 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000694772_100000233755 [0,2,0,0,0,0|0,0,2]=4 11571 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000749529_100012094781 [0,2,0,0,0,0|0,0,2]=4 11572 B12R0.206 C#CCCCCCC(=O)COCC 1458a_100000211967_100012094781 [0,2,0,0,0,0|0,0,2]=4 11573 B12R0.206 C#CCNC(=O)CCCCCCC 11a_100000212058_100000211969 [0,2,0,0,0,0|1,0,0]=3 11574 B12R0.206 C#CCNC(=O)CCCCCCC 1626a_100000212058_100000211969 [0,2,0,0,0,0|1,0,0]=3 11575 B12R0.206 C#CCNC(=O)CCCCCCC 240690a_100000212058_100000211969 [0,2,0,0,0,0|1,0,0]=3 11576 B12R0.206 C#CCNC(=O)CCCCCCC 527a_100000212058_100000211969 [0,2,0,0,0,0|1,0,0]=3 11577 B12R0.206 C#CCNC(=O)CCCCCCO 240690a_100000212058_100011996774 [0,2,0,0,0,0|2,0,0]=4 11578 B12R0.206 C#CCNC(=O)CCCCCOC 11a_100000212058_100011935119 [0,2,0,0,0,0|2,0,0]=4 11579 B12R0.206 C#CCNC(=O)CCCCCOC 1626a_100000212058_100011935119 [0,2,0,0,0,0|2,0,0]=4 11580 B12R0.206 C#CCNC(=O)CCCCCOC 240690a_100000212058_100011935119 [0,2,0,0,0,0|2,0,0]=4 11581 B12R0.206 C#CCNC(=O)CCCCCOC 527a_100000212058_100011935119 [0,2,0,0,0,0|2,0,0]=4 11582 B12R0.206 C#CCNC(=O)CNCCCCC 2230a_100000747989_100000210326 [0,2,0,0,0,0|2,0,0]=4 11583 B12R0.206 C#CCNC(=O)CNCCCCC 34a_100000747989_100000718602 [0,2,0,0,0,0|2,0,0]=4 11584 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000210581_100000212058 [0,2,0,0,0,0|2,0,0]=4 11585 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000212058_100000210581 [0,2,0,0,0,0|2,0,0]=4 11586 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000210581_100000212058 [0,2,0,0,0,0|2,0,0]=4 11587 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000212058_100000210581 [0,2,0,0,0,0|2,0,0]=4 11588 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000210581_100000212058 [0,2,0,0,0,0|2,0,0]=4 11589 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000212058_100000210581 [0,2,0,0,0,0|2,0,0]=4 11590 B12R0.206 C#CCOC(C)CCCCCCC 34a_100000210247_200011218727 [0,2,0,0,0,0|1,0,1]=4 11591 B12R0.206 C#CCOC(C)CCCCCCC 34a_200011215852_100000184674 [0,2,0,0,0,0|1,0,1]=4 11592 B12R0.206 C#CCOC(C)CCCCCCC 7a_200011215852_100000038162 [0,2,0,0,0,0|1,0,1]=4 11593 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,2,0,0,0,0|1,0,0]=3 11594 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,2,0,0,0,0|2,0,0]=4 11595 B12R0.206 C/C=C/CC(=O)CCCCCOC 1458a_100011935119_100102629194 [0,2,0,0,0,0|2,0,0]=4 11596 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,2,0,0,0,0|2,0,0]=4 11597 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000042856_100000210326 [0,2,0,0,0,0|2,0,0]=4 11598 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000210326_100000042856 [0,2,0,0,0,0|2,0,0]=4 11599 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,2,0,0,0,0|1,0,1]=4 11600 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|1,0,0]=3 11601 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|1,0,0]=3 11602 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,2,0,0,0,0|2,0,0]=4 11603 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,2,0,0,0,0|2,0,0]=4 11604 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,2,0,0,0,0|2,0,0]=4 11605 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,2,0,0,0,0|2,0,0]=4 11606 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,2,0,0,0,0|2,0,0]=4 11607 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,2,0,0,0,0|2,0,0]=4 11608 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,2,0,0,0,0|2,0,0]=4 11609 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,2,0,0,0,0|2,0,0]=4 11610 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,2,0,0,0,0|2,0,0]=4 11611 B12R0.206 C=CCCCCCC(=O)C=COC 1458a_100016268678_100000700193 [0,2,0,0,0,0|0,0,2]=4 11612 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,2,0,0,0,0|0,0,2]=4 11613 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,2,0,0,0,0|0,0,2]=4 11614 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,2,0,0,0,0|0,0,2]=4 11615 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 11616 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 11617 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 11618 B12R0.206 C=CCNC(=O)CCCCCCO 240690a_100020586998_100011996774 [0,2,0,0,0,0|2,0,0]=4 11619 B12R0.206 C=CCNC(=O)CCCCCOC 1626a_100020586998_100011935119 [0,2,0,0,0,0|2,0,0]=4 11620 B12R0.206 C=CCNC(=O)CCCCCOC 240690a_100020586998_100011935119 [0,2,0,0,0,0|2,0,0]=4 11621 B12R0.206 C=CCNC(=O)CCCCCOC 527a_100020586998_100011935119 [0,2,0,0,0,0|2,0,0]=4 11622 B12R0.206 C=CCNC(=O)CCNCCCC 2230a_100000102301_100011222895 [0,2,0,0,0,0|2,0,0]=4 11623 B12R0.206 C=CCNC(=O)CCNCCCC 7a_106832991798_100011222895 [0,2,0,0,0,0|2,0,0]=4 11624 B12R0.206 C=CCNC(=O)CCOCCCC 7a_100000210227_100011222895 [0,2,0,0,0,0|2,0,0]=4 11625 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100000210211_100011222895 [0,2,0,0,0,0|2,0,0]=4 11626 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100011222895_100000210210 [0,2,0,0,0,0|2,0,0]=4 11627 B12R0.206 C=CCNC(=O)CNCCCCC 2230a_100000209983_100000183597 [0,2,0,0,0,0|2,0,0]=4 11628 B12R0.206 C=CCNC(=O)COCCCCC 7a_100000210253_100000183597 [0,2,0,0,0,0|2,0,0]=4 11629 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000183597_100000210326 [0,2,0,0,0,0|2,0,0]=4 11630 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000210326_100000183597 [0,2,0,0,0,0|2,0,0]=4 11631 B12R0.206 C=CCNC(=O)NCCCCCC 2708a_100000210581_100020586998 [0,2,0,0,0,0|2,0,0]=4 11632 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100000210581_100020586998 [0,2,0,0,0,0|2,0,0]=4 11633 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100020586998_100000210581 [0,2,0,0,0,0|2,0,0]=4 11634 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100000210581_100020586998 [0,2,0,0,0,0|2,0,0]=4 11635 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100020586998_100000210581 [0,2,0,0,0,0|2,0,0]=4 11636 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,2,0,0,0,0|1,0,0]=3 11637 B12R0.206 C=CCOC(=O)CNCCCCO 2230a_100000750430_100000033060 [0,2,0,0,0,0|2,0,0]=4 11638 B12R0.206 C=CCOC(=O)CNCCCCO 34a_100000750430_100000033060 [0,2,0,0,0,0|2,0,0]=4 11639 B12R0.206 C=CCOC(=O)CNCCCOC 34a_100150723488_100000033060 [0,2,0,0,0,0|2,0,0]=4 11640 B12R0.206 C=CCOC(=O)CNCCCSC 2230a_100000749238_100000033060 [0,2,0,0,0,0|2,0,0]=4 11641 B12R0.206 C=CCOC(=O)CNCCOCC 2230a_102516460346_100000033060 [0,2,0,0,0,0|2,0,0]=4 11642 B12R0.206 C=CCOC(=O)CNCCOCC 34a_102516460346_100000033060 [0,2,0,0,0,0|2,0,0]=4 11643 B12R0.206 C=CCOC(=O)CNCCSCC 2230a_100000106463_100000033060 [0,2,0,0,0,0|2,0,0]=4 11644 B12R0.206 C=CCOC(=O)COCCCCBr 34a_100011216708_100000033060 [0,2,0,0,0,0|2,0,0]=4 11645 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,2,0,0,0,0|1,0,0]=3 11646 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,2,0,0,0,0|1,0,0]=3 11647 B12R0.206 C=CCOC(=O)COCCCCCl 34a_100000210776_100000033060 [0,2,0,0,0,0|2,0,0]=4 11648 B12R0.206 C=CCOC(=O)COCCCCCl 7a_100000210776_100000033060 [0,2,0,0,0,0|2,0,0]=4 11649 B12R0.206 C=CCOC(=O)COCCCCF 34a_100011995726_100000033060 [0,2,0,0,0,0|2,0,0]=4 11650 B12R0.206 C=CCOC(=O)COCCCCF 7a_100011995726_100000033060 [0,2,0,0,0,0|2,0,0]=4 11651 B12R0.206 C=CCOC(=O)COCCCCI 34a_200012148704_100000033060 [0,2,0,0,0,0|2,0,0]=4 11652 B12R0.206 C=CCOC(=O)COCCCCN 34a_100000750430_100000033060 [0,2,0,0,0,0|2,0,0]=4 11653 B12R0.206 C=CCOC(=O)COCCCNC 34a_100000213112_100000033060 [0,2,0,0,0,0|2,0,0]=4 11654 B12R0.206 C=CCOC(=O)COCCCOC 34a_100000740835_100000033060 [0,2,0,0,0,0|2,0,0]=4 11655 B12R0.206 C=CCOC(=O)COCCCSC 34a_100000690336_100000033060 [0,2,0,0,0,0|2,0,0]=4 11656 B12R0.206 C=CCOC(=O)COCCCSC 7a_100000690336_100000033060 [0,2,0,0,0,0|2,0,0]=4 11657 B12R0.206 C=CCOC(=O)COCCOCC 34a_100000210136_100000033060 [0,2,0,0,0,0|2,0,0]=4 11658 B12R0.206 C=CCOC(=O)COCCOCC 7a_100000210136_100000033060 [0,2,0,0,0,0|2,0,0]=4 11659 B12R0.206 C=CCOC(=O)COCCSCC 34a_100000212035_100000033060 [0,2,0,0,0,0|2,0,0]=4 11660 B12R0.206 C=CCOC(=O)COCCSCC 7a_100000212035_100000033060 [0,2,0,0,0,0|2,0,0]=4 11661 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,2,0,0,0,0|1,0,0]=3 11662 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,2,0,0,0,0|1,0,0]=3 11663 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000033060_100000729493 [0,2,0,0,0,0|2,0,0]=4 11664 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000729493_100000033060 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000033060_100000210776 [0,2,0,0,0,0|2,0,0]=4 11666 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000210776_100000033060 [0,2,0,0,0,0|2,0,0]=4 11667 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000033060_100000709357 [0,2,0,0,0,0|2,0,0]=4 11668 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000709357_100000033060 [0,2,0,0,0,0|2,0,0]=4 11669 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000033060_100011215890 [0,2,0,0,0,0|2,0,0]=4 11670 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000210147_100000033060 [0,2,0,0,0,0|2,0,0]=4 11671 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000033060_100000757381 [0,2,0,0,0,0|2,0,0]=4 11672 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000757381_100000033060 [0,2,0,0,0,0|2,0,0]=4 11673 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,2,0,0,0,0|1,0,1]=4 11674 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,2,0,0,0,0|1,0,1]=4 11675 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,2,0,0,0,0|1,0,1]=4 11676 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [0,2,0,0,0,0|1,0,0]=3 11677 B12R0.206 CC#CCC(=O)CCCCCCO 1458a_100011996774_100000748600 [0,2,0,0,0,0|2,0,0]=4 11678 B12R0.206 CC#CCC(=O)CCCCCOC 1458a_100011935119_100000748600 [0,2,0,0,0,0|2,0,0]=4 11679 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,2,0,0,0,0|1,0,0]=3 11680 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,2,0,0,0,0|1,0,0]=3 11681 B12R0.206 CC=CCC(=O)CCCCCCF 1458a_100121576822_100015922095 [0,2,0,0,0,0|2,0,0]=4 11682 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,2,0,0,0,0|2,0,0]=4 11683 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,2,0,0,0,0|2,0,0]=4 11684 B12R0.206 CC=CCC(=O)CCCCCOC 1458a_100011935119_100000070051 [0,2,0,0,0,0|2,0,0]=4 11685 B12R0.206 CC=CCC(=O)CCOCCCC 1458a_100121576822_100000743108 [0,2,0,0,0,0|2,0,0]=4 11686 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,2,0,0,0,0|2,0,0]=4 11687 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,2,0,0,0,0|2,0,0]=4 11688 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,2,0,0,0,0|2,0,0]=4 11689 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,2,0,0,0,0|2,0,0]=4 11690 B12R0.206 CC=NNC(=O)CCCCCCC 4a_100000181853_200000210099 [0,2,0,0,0,0|1,0,0]=3 11691 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,2,0,0,0,0|1,0,0]=3 11692 B12R0.206 CCC#CC(=O)CCCCCCF 1458a_100011827653_100015922095 [0,2,0,0,0,0|2,0,0]=4 11693 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [0,2,0,0,0,0|2,0,0]=4 11694 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [0,2,0,0,0,0|2,0,0]=4 11695 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|1,0,0]=3 11696 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [0,2,0,0,0,0|2,0,0]=4 11697 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,2,0,0,0,0|2,0,0]=4 11698 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,2,0,0,0,0|2,0,0]=4 11699 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,2,0,0,0,0|2,0,0]=4 11700 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,2,0,0,0,0|2,0,0]=4 11701 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,2,0,0,0,0|2,0,0]=4 11702 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,2,0,0,0,0|0,0,2]=4 11703 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,2,0,0,0,0|2,0,0]=4 11704 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,2,0,0,0,0|2,0,0]=4 11705 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,2,0,0,0,0|2,0,0]=4 11706 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,2,0,0,0,0|2,0,0]=4 11707 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,2,0,0,0,0|0,0,2]=4 11708 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,2,0,0,0,0|0,0,2]=4 11709 B12R0.206 CCCCCCCC(=NNCC)C 4a_100000756455_100000210596 [0,2,0,0,0,0|2,0,0]=4 11710 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [0,2,0,0,0,0|1,0,0]=3 11711 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,2,0,0,0,0|0,0,0]=2 11712 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,2,0,0,0,0|1,0,0]=3 11713 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,2,0,0,0,0|1,0,0]=3 11714 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|1,0,0]=3 11715 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|1,0,0]=3 11716 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|1,0,0]=3 11717 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|1,0,0]=3 11718 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|0,0,0]=2 11719 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|0,0,0]=2 11720 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|0,1,0]=3 11721 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|0,1,0]=3 11722 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|0,0,0]=2 11723 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,2,0,0,0,0|0,1,0]=3 11724 B12R0.206 CCCCCCCC(=O)NCC#N 1626a_100000734998_100000211969 [0,2,0,0,0,0|1,0,0]=3 11725 B12R0.206 CCCCCCCC(=O)NCC#N 527a_100000734998_100000211969 [0,2,0,0,0,0|1,0,0]=3 11726 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 11727 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 11728 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 11729 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 11730 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 11731 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 11732 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 11733 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 11734 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,2,0,0,0,0|1,0,0]=3 11735 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,2,0,0,0,0|1,0,0]=3 11736 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,2,0,0,0,0|1,0,0]=3 11737 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|0,0,0]=2 11738 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|0,0,0]=2 11739 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|0,0,0]=2 11740 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|0,0,0]=2 11741 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|0,0,0]=2 11742 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|0,0,0]=2 11743 B12R0.206 CCCCCCCC(C)OCC#N 7a_200011215852_100011215382 [0,2,0,0,0,0|1,0,1]=4 11744 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,2,0,0,0,0|1,0,1]=4 11745 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,2,0,0,0,0|1,0,1]=4 11746 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,2,0,0,0,0|1,0,1]=4 11747 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,2,0,0,0,0|1,0,1]=4 11748 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 11749 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 11750 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,2,0,0,0,0|1,0,1]=4 11751 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,2,0,0,0,0|1,0,1]=4 11752 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,2,0,0,0,0|1,0,1]=4 11753 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,2,0,0,0,0|1,0,1]=4 11754 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,2,0,0,0,0|1,0,1]=4 11755 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,2,0,0,0,0|1,0,1]=4 11756 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,2,0,0,0,0|1,0,1]=4 11757 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,2,0,0,0,0|1,0,1]=4 11758 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,2,0,0,0,0|2,0,0]=4 11759 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,2,0,0,0,0|2,0,0]=4 11760 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,2,0,0,0,0|2,0,0]=4 11761 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,2,0,0,0,0|2,0,0]=4 11762 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [0,2,0,0,0,0|2,0,0]=4 11763 B12R0.206 CCCCCCNC(=O)C=COC 1626a_100000210581_100016268678 [0,2,0,0,0,0|1,0,0]=3 11764 B12R0.206 CCCCCCNC(=O)C=COC 240690a_100000210581_100016268678 [0,2,0,0,0,0|1,0,0]=3 11765 B12R0.206 CCCCCCNC(=O)CCC#N 11a_100000210581_100011934036 [0,2,0,0,0,0|2,0,0]=4 11766 B12R0.206 CCCCCCNC(=O)CCC#N 1626a_100000210581_100011934036 [0,2,0,0,0,0|2,0,0]=4 11767 B12R0.206 CCCCCCNC(=O)CCC#N 240690a_100000210581_100011934036 [0,2,0,0,0,0|2,0,0]=4 11768 B12R0.206 CCCCCCNC(=O)CCC#N 527a_100000210581_100011934036 [0,2,0,0,0,0|2,0,0]=4 11769 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,2,0,0,0,0|2,0,0]=4 11770 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,2,0,0,0,0|2,0,0]=4 11771 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,2,0,0,0,0|2,0,0]=4 11772 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,2,0,0,0,0|2,0,0]=4 11773 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 11774 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 11775 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 11776 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 11777 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,2,0,0,0,0|1,1,0]=4 11778 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,2,0,0,0,0|1,1,0]=4 11779 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,2,0,0,0,0|1,1,0]=4 11780 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,2,0,0,0,0|1,1,0]=4 11781 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,2,0,0,0,0|2,0,0]=4 11782 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 11783 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 11784 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 11785 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,2,0,0,0,0|1,0,0]=3 11786 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 11787 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,2,0,0,0,0|1,1,0]=4 11788 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,2,0,0,0,0|1,1,0]=4 11789 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,2,0,0,0,0|1,1,0]=4 11790 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,2,0,0,0,0|1,1,0]=4 11791 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,2,0,0,0,0|1,1,0]=4 11792 B12R0.206 CCCCCCNC(=O)CSCF 62a_100000230325_100015361967 [0,2,0,0,0,0|1,1,0]=4 11793 B12R0.206 CCCCCCNC(=O)NCC#N 2708a_100000734998_100000210581 [0,2,0,0,0,0|2,0,0]=4 11794 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000210581_100000734998 [0,2,0,0,0,0|2,0,0]=4 11795 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000734998_100000210581 [0,2,0,0,0,0|2,0,0]=4 11796 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000210581_100000734998 [0,2,0,0,0,0|2,0,0]=4 11797 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000734998_100000210581 [0,2,0,0,0,0|2,0,0]=4 11798 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,2,0,0,0,0|2,0,0]=4 11799 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,2,0,0,0,0|2,0,0]=4 11800 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,2,0,0,0,0|2,0,0]=4 11801 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,2,0,0,0,0|2,0,0]=4 11802 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,2,0,0,0,0|2,0,0]=4 11803 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,2,0,0,0,0|2,0,0]=4 11804 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 11805 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 11806 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,2,0,0,0,0|2,0,0]=4 11807 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 11808 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 11809 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,2,0,0,0,0|2,0,0]=4 11810 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 11811 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 11812 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,2,0,0,0,0|2,0,0]=4 11813 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,2,0,0,0,0|2,0,0]=4 11814 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,2,0,0,0,0|2,0,0]=4 11815 B12R0.206 CCCCCNCC(=O)NCC#N 2230a_100000209983_100000736037 [0,2,0,0,0,0|2,0,0]=4 11816 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,2,0,0,0,0|2,0,0]=4 11817 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,2,0,0,0,0|2,0,0]=4 11818 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,2,0,0,0,0|2,0,0]=4 11819 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,2,0,0,0,0|1,0,0]=3 11820 B12R0.206 CCCCCNNC(=O)C=COC 22a_100000694160_100016268678 [0,2,0,0,0,0|2,0,0]=4 11821 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,2,0,0,0,0|2,0,0]=4 11822 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,2,0,0,0,0|2,0,0]=4 11823 B12R0.206 CCCCCOCC(=O)NCC#N 7a_100000210253_100000736037 [0,2,0,0,0,0|2,0,0]=4 11824 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,2,0,0,0,0|2,0,0]=4 11825 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,2,0,0,0,0|2,0,0]=4 11826 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,2,0,0,0,0|1,0,0]=3 11827 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,2,0,0,0,0|1,0,0]=3 11828 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000210326_100000736037 [0,2,0,0,0,0|2,0,0]=4 11829 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000736037_100000210326 [0,2,0,0,0,0|2,0,0]=4 11830 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,2,0,0,0,0|2,0,0]=4 11831 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,2,0,0,0,0|2,0,0]=4 11832 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,2,0,0,0,0|1,0,0]=3 11833 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,2,0,0,0,0|1,0,0]=3 11834 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,2,0,0,0,0|2,0,0]=4 11835 B12R0.206 CCCCOCCC(=O)C#CCO 1458a_100000049017_100000743108 [0,2,0,0,0,0|2,0,0]=4 11836 B12R0.206 CCCCOCCC(=O)C=COC 1458a_100016268678_100000743108 [0,2,0,0,0,0|1,0,0]=3 11837 B12R0.206 CCCCOCCC(=O)CCC#N 1458a_100011934036_100000743108 [0,2,0,0,0,0|2,0,0]=4 11838 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,2,0,0,0,0|2,0,0]=4 11839 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,2,0,0,0,0|1,0,0]=3 11840 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,2,0,0,0,0|1,1,0]=4 11841 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,2,0,0,0,0|1,0,0]=3 11842 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [0,2,0,0,0,0|1,1,0]=4 11843 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,2,0,0,0,0|2,0,0]=4 11844 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,2,0,0,0,0|2,0,0]=4 11845 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,2,0,0,0,0|2,0,0]=4 11846 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,2,0,0,0,0|2,0,0]=4 11847 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,2,0,0,0,0|2,0,0]=4 11848 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,2,0,0,0,0|2,0,0]=4 11849 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,2,0,0,0,0|2,0,0]=4 11850 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,2,0,0,0,0|2,0,0]=4 11851 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,2,0,0,0,0|2,0,0]=4 11852 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,2,0,0,0,0|2,0,0]=4 11853 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,2,0,0,0,0|2,0,0]=4 11854 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,2,0,0,0,0|2,0,0]=4 11855 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,2,0,0,0,0|2,0,0]=4 11856 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,2,0,0,0,0|2,0,0]=4 11857 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,2,0,0,0,0|2,0,0]=4 11858 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,2,0,0,0,0|2,0,0]=4 11859 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,2,0,0,0,0|2,0,0]=4 11860 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,2,0,0,0,0|2,0,0]=4 11861 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,2,0,0,0,0|2,0,0]=4 11862 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,2,0,0,0,0|2,0,0]=4 11863 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,2,0,0,0,0|2,0,0]=4 11864 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,2,0,0,0,0|2,0,0]=4 11865 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,2,0,0,0,0|2,0,0]=4 11866 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,2,0,0,0,0|2,0,0]=4 11867 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,2,0,0,0,0|2,0,0]=4 11868 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,2,0,0,0,0|2,0,0]=4 11869 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,2,0,0,0,0|2,0,0]=4 11870 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,2,0,0,0,0|2,0,0]=4 11871 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,2,0,0,0,0|2,0,0]=4 11872 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,2,0,0,0,0|2,0,0]=4 11873 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,2,0,0,0,0|2,0,0]=4 11874 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,2,0,0,0,0|2,0,0]=4 11875 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,2,0,0,0,0|2,0,0]=4 11876 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,2,0,0,0,0|2,0,0]=4 11877 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,2,0,0,0,0|2,0,0]=4 11878 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,2,0,0,0,0|2,0,0]=4 11879 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,2,0,0,0,0|2,0,0]=4 11880 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,2,0,0,0,0|2,0,0]=4 11881 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,2,0,0,0,0|2,0,0]=4 11882 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,2,0,0,0,0|2,0,0]=4 11883 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,2,0,0,0,0|2,0,0]=4 11884 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,2,0,0,0,0|2,0,0]=4 11885 B12R0.206 CCCOCCNC(=O)C=COC 1626a_100161115042_100016268678 [0,2,0,0,0,0|2,0,0]=4 11886 B12R0.206 CCCOCCNC(=O)C=COC 240690a_100161115042_100016268678 [0,2,0,0,0,0|2,0,0]=4 11887 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 11888 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 11889 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 11890 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 11891 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 11892 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 11893 B12R0.206 CCCSCCNC(=O)C=COC 240690a_100020603323_100016268678 [0,2,0,0,0,0|2,0,0]=4 11894 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 11895 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 11896 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 11897 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 11898 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 11899 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 11900 B12R0.206 CCNNC(=O)CCCCCOC 22a_100000756455_100011935119 [0,2,0,0,0,0|2,0,0]=4 11901 B12R0.206 CCOCC(=O)CCCCCC#N 1458a_100000211967_100009813376 [0,2,0,0,0,0|1,0,1]=4 11902 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,2,0,0,0,0|1,0,0]=3 11903 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,2,0,0,0,0|1,0,0]=3 11904 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [0,2,0,0,0,0|2,0,0]=4 11905 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,2,0,0,0,0|2,0,0]=4 11906 B12R0.206 CCOCCCNC(=O)C=COC 1626a_100000210961_100016268678 [0,2,0,0,0,0|2,0,0]=4 11907 B12R0.206 CCOCCCNC(=O)C=COC 240690a_100000210961_100016268678 [0,2,0,0,0,0|2,0,0]=4 11908 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 11909 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 11910 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 11911 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 11912 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 11913 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 11914 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 11915 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 11916 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,2,0,0,0,0|1,1,0]=4 11917 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,2,0,0,0,0|1,1,0]=4 11918 B12R0.206 COC=CC(=O)CCCCCC#N 1458a_100016268678_100009813376 [0,2,0,0,0,0|1,0,1]=4 11919 B12R0.206 COC=CC(=O)CCCCCCF 1458a_100016268678_100015922095 [0,2,0,0,0,0|1,0,0]=3 11920 B12R0.206 COC=CC(=O)CCCCCCO 1458a_100016268678_100000766143 [0,2,0,0,0,0|1,0,0]=3 11921 B12R0.206 COC=CC(=O)CCOCCOC 1458a_100016268678_100000695917 [0,2,0,0,0,0|2,0,0]=4 11922 B12R0.206 COC=CC(=O)NCCCCCO 240690a_100000762737_100016268678 [0,2,0,0,0,0|2,0,0]=4 11923 B12R0.206 COCCC(=O)CCCCCC#N 1458a_100000749529_100009813376 [0,2,0,0,0,0|1,0,1]=4 11924 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,2,0,0,0,0|1,0,0]=3 11925 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,2,0,0,0,0|1,0,0]=3 11926 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,2,0,0,0,0|1,0,0]=3 11927 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,2,0,0,0,0|2,0,0]=4 11928 B12R0.206 COCCCCCC(=O)CCC#N 1458a_100011935119_100011215226 [0,2,0,0,0,0|2,0,0]=4 11929 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,2,0,0,0,0|2,0,0]=4 11930 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,2,0,0,0,0|2,0,0]=4 11931 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,2,0,0,0,0|1,0,0]=3 11932 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,2,0,0,0,0|1,1,0]=4 11933 B12R0.206 COCCCCCC(=O)NCC#N 1626a_100000734998_100011935119 [0,2,0,0,0,0|2,0,0]=4 11934 B12R0.206 COCCCCCC(=O)NCC#N 527a_100000734998_100011935119 [0,2,0,0,0,0|2,0,0]=4 11935 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 11936 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 11937 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 11938 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 11939 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,2,0,0,0,0|2,0,0]=4 11940 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,2,0,0,0,0|2,0,0]=4 11941 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000745395_100000233755 [0,2,0,0,0,0|2,0,0]=4 11942 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000749529_100000695917 [0,2,0,0,0,0|2,0,0]=4 11943 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,2,0,0,0,0|1,1,0]=4 11944 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,2,0,0,0,0|1,1,0]=4 11945 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,2,0,0,0,0|1,1,0]=4 11946 B12R0.206 N#CCCC(=O)CCCCCCF 1458a_100011934036_100015922095 [0,2,0,0,0,0|2,0,0]=4 11947 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,2,0,0,0,0|2,0,0]=4 11948 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,2,0,0,0,0|2,0,0]=4 11949 B12R0.206 O=C(C#CCO)CCCCCCF 1458a_100000049017_100015922095 [0,2,0,0,0,0|2,0,0]=4 11950 B12R0.206 O=C(C#CCO)CCCCCCO 1458a_100000049017_100000766143 [0,2,0,0,0,0|2,0,0]=4 11951 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,2,0,0,0,0|2,0,0]=4 11952 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,2,0,0,0,0|2,0,0]=4 11953 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,2,0,0,0,0|2,0,0]=4 11954 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,2,0,0,0,0|2,0,0]=4 11955 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,2,0,0,0,0|0,0,2]=4 11956 B12R0.239 C=COC(=O)CN(C)CCCCC 2230a_100000223495_100000036128 [0,2,0,0,0,0|1,0,1]=4 11957 B12R0.239 C=COC(=O)CN(C)CCCCC 269982a_100000223495_100000036128 [0,2,0,0,0,0|1,0,1]=4 11958 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,2,0,0,0,0|1,0,1]=4 11959 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,2,0,0,0,0|1,0,1]=4 11960 B12R0.239 CC=CC(=O)NC(C)CCCCC 11a_100000211957_100000210699 [0,2,0,0,0,0|2,0,0]=4 11961 B12R0.239 CC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000210699 [0,2,0,0,0,0|2,0,0]=4 11962 B12R0.239 CC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000210699 [0,2,0,0,0,0|2,0,0]=4 11963 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,2,0,0,0,0|1,0,1]=4 11964 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,2,0,0,0,0|1,0,1]=4 11965 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|1,0,1]=4 11966 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,2,0,0,0,0|0,0,1]=3 11967 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,2,0,0,0,0|0,1,1]=4 11968 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|1,0,1]=4 11969 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,2,0,0,0,0|1,0,1]=4 11970 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|0,0,1]=3 11971 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|0,0,1]=3 11972 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,2,0,0,0,0|2,0,0]=4 11973 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,2,0,0,0,0|2,0,0]=4 11974 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,2,0,0,0,0|2,0,0]=4 11975 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,2,0,0,0,0|2,0,0]=4 11976 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,2,0,0,0,0|2,0,0]=4 11977 B12R0.239 CCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230335 [0,2,0,0,0,0|2,0,0]=4 11978 B12R0.239 CCCCCC(C)NC(=O)CNC 34a_100102657272_100000230335 [0,2,0,0,0,0|2,0,0]=4 11979 B12R0.239 CCCCCC(C)NC(=O)CNC 7a_106832991635_100000230335 [0,2,0,0,0,0|2,0,0]=4 11980 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,2,0,0,0,0|1,0,0]=3 11981 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,2,0,0,0,0|1,0,0]=3 11982 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,2,0,0,0,0|1,0,0]=3 11983 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,2,0,0,0,0|1,0,0]=3 11984 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,2,0,0,0,0|1,0,0]=3 11985 B12R0.239 CCCCCC(C)NC(=O)CSC 11a_100000211957_100000184570 [0,2,0,0,0,0|1,1,0]=4 11986 B12R0.239 CCCCCC(C)NC(=O)CSC 1626a_100000211957_100000184570 [0,2,0,0,0,0|1,1,0]=4 11987 B12R0.239 CCCCCC(C)NC(=O)CSC 240690a_100000211957_100000184570 [0,2,0,0,0,0|1,1,0]=4 11988 B12R0.239 CCCCCC(C)NC(=O)CSC 527a_100000211957_100000184570 [0,2,0,0,0,0|1,1,0]=4 11989 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_100000230335_200000210301 [0,2,0,0,0,0|1,1,0]=4 11990 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_200000210301_100000230335 [0,2,0,0,0,0|1,1,0]=4 11991 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_100000230335_200025704644 [0,2,0,0,0,0|1,1,0]=4 11992 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230335 [0,2,0,0,0,0|1,1,0]=4 11993 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 11994 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 11995 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 11996 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 11997 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 11998 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 11999 B12R0.239 CCCCCC(C)NC(=O)NNC 273464a_100000211957_100016993582 [0,2,0,0,0,0|2,0,0]=4 12000 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100000211957_100016993582 [0,2,0,0,0,0|2,0,0]=4 12001 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100016993582_100000211957 [0,2,0,0,0,0|2,0,0]=4 12002 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,2,0,0,0,0|2,0,0]=4 12003 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,2,0,0,0,0|2,0,0]=4 12004 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,2,0,0,0,0|2,0,0]=4 12005 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,2,0,0,0,0|1,0,0]=3 12006 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,2,0,0,0,0|1,1,0]=4 12007 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,2,0,0,0,0|1,1,0]=4 12008 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,2,0,0,0,0|1,1,0]=4 12009 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,2,0,0,0,0|1,1,0]=4 12010 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,2,0,0,0,0|2,0,0]=4 12011 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,2,0,0,0,0|2,0,0]=4 12012 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,2,0,0,0,0|2,0,0]=4 12013 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,2,0,0,0,0|2,0,0]=4 12014 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,2,0,0,0,0|2,0,0]=4 12015 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,2,0,0,0,0|2,0,0]=4 12016 B12R0.239 CCCCCN(C)CC(=O)NCO 2230a_100000223495_100000185155 [0,2,0,0,0,0|2,0,0]=4 12017 B12R0.239 CCCCCN(C)CC(=O)NCO 269982a_100000223495_100000185155 [0,2,0,0,0,0|2,0,0]=4 12018 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,2,0,0,0,0|1,0,0]=3 12019 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,2,0,0,0,0|1,0,0]=3 12020 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,2,0,0,0,0|1,0,0]=3 12021 B12R0.239 CCCCNC(=O)CC(=O)COC 1458a_100000210968_100000182744 [0,2,0,0,0,0|1,0,1]=4 12022 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,2,0,0,0,0|1,0,1]=4 12023 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,2,0,0,0,0|1,0,0]=3 12024 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,2,0,0,0,0|1,0,0]=3 12025 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,2,0,0,0,0|1,0,1]=4 12026 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,2,0,0,0,0|1,0,0]=3 12027 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,2,0,0,0,0|1,0,0]=3 12028 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,2,0,0,0,0|1,0,0]=3 12029 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,2,0,0,0,0|1,0,0]=3 12030 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,2,0,0,0,0|2,0,0]=4 12031 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,2,0,0,0,0|2,0,0]=4 12032 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,2,0,0,0,0|1,0,1]=4 12033 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,2,0,0,0,0|1,0,0]=3 12034 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,2,0,0,0,0|1,0,1]=4 12035 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,2,0,0,0,0|1,0,1]=4 12036 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,2,0,0,0,0|1,0,1]=4 12037 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,2,0,0,0,0|1,0,0]=3 12038 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,2,0,0,0,0|1,0,0]=3 12039 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,2,0,0,0,0|1,0,1]=4 12040 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,2,0,0,0,0|1,0,1]=4 12041 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,2,0,0,0,0|1,0,1]=4 12042 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,2,0,0,0,0|1,0,1]=4 12043 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,2,0,0,0,0|1,0,1]=4 12044 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,2,0,0,0,0|1,0,1]=4 12045 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,2,0,0,0,0|1,0,1]=4 12046 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,2,0,0,0,0|1,0,1]=4 12047 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,2,0,0,0,0|2,0,0]=4 12048 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,2,0,0,0,0|2,0,0]=4 12049 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,2,0,0,0,0|2,0,0]=4 12050 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,2,0,0,0,0|2,0,0]=4 12051 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,2,0,0,0,0|2,0,0]=4 12052 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,2,0,0,0,0|2,0,0]=4 12053 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,2,0,0,0,0|2,0,0]=4 12054 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,2,0,0,0,0|2,0,0]=4 12055 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,2,0,0,0,0|2,0,0]=4 12056 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,2,0,0,0,0|2,0,0]=4 12057 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,2,0,0,0,0|2,0,0]=4 12058 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,2,0,0,0,0|2,0,0]=4 12059 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,2,0,0,0,0|2,0,0]=4 12060 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,2,0,0,0,0|2,0,0]=4 12061 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,2,0,0,0,0|2,0,0]=4 12062 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,2,0,0,0,0|2,0,0]=4 12063 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,2,0,0,0,0|2,0,0]=4 12064 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,2,0,0,0,0|2,0,0]=4 12065 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,2,0,0,0,0|2,0,0]=4 12066 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,2,0,0,0,0|2,0,0]=4 12067 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,2,0,0,0,0|2,0,0]=4 12068 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,2,0,0,0,0|2,0,0]=4 12069 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,2,0,0,0,0|2,0,0]=4 12070 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,2,0,0,0,0|2,0,0]=4 12071 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [0,2,0,0,0,0|2,0,0]=4 12072 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [0,2,0,0,0,0|2,0,0]=4 12073 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,2,0,0,0,0|2,0,0]=4 12074 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,2,0,0,0,0|2,0,0]=4 12075 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [0,2,0,0,0,0|2,0,0]=4 12076 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [0,2,0,0,0,0|2,0,0]=4 12077 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [0,2,0,0,0,0|2,0,0]=4 12078 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [0,2,0,0,0,0|2,0,0]=4 12079 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [0,2,0,0,0,0|2,0,0]=4 12080 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [0,2,0,0,0,0|2,0,0]=4 12081 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [0,2,0,0,0,0|2,0,0]=4 12082 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [0,2,0,0,0,0|2,0,0]=4 12083 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,2,0,0,0,0|1,0,1]=4 12084 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,2,0,0,0,0|1,0,1]=4 12085 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,2,0,0,0,0|2,0,0]=4 12086 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,2,0,0,0,0|2,0,0]=4 12087 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,2,0,0,0,0|2,0,0]=4 12088 B12R0.276 C#CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000184674 [0,2,0,0,0,0|0,0,2]=4 12089 B12R0.276 C#CCC(=O)CCCCC(=O)OC 1458a_100011220946_100000204269 [0,2,0,0,0,0|0,0,2]=4 12090 B12R0.276 C#CCC(C)OCCCC(=O)OC 34a_100000685586_100000742333 [0,2,0,0,0,0|0,0,2]=4 12091 B12R0.276 C#CCC(C)OCCCC(=O)OC 7a_100000685586_100011218270 [0,2,0,0,0,0|0,0,2]=4 12092 B12R0.276 C#CCN(C)CCCCC(=O)OC 2230a_100000225692_100000204269 [0,2,0,0,0,0|0,0,2]=4 12093 B12R0.276 C#CCN(C)CCCCC(=O)OC 34a_100000225692_100000204269 [0,2,0,0,0,0|0,0,2]=4 12094 B12R0.276 C/C=C/C(C)OCCCC(=O)OC 34a_200102604097_100000742333 [0,2,0,0,0,0|0,0,2]=4 12095 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000210193_100000204269 [0,2,0,0,0,0|0,0,2]=4 12096 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210623 [0,2,0,0,0,0|0,0,2]=4 12097 B12R0.276 C=CCC(C)COCCC(=O)OC 34a_100009832082_100000742370 [0,2,0,0,0,0|0,0,2]=4 12098 B12R0.276 C=CCC(C)COCCC(=O)OC 7a_100009832082_100000204255 [0,2,0,0,0,0|0,0,2]=4 12099 B12R0.276 C=CCN(C)CCCCC(=O)OC 2230a_100000225617_100000204269 [0,2,0,0,0,0|0,0,2]=4 12100 B12R0.276 C=CCN(C)CCCCC(=O)OC 269982a_100000225617_100000204269 [0,2,0,0,0,0|0,0,2]=4 12101 B12R0.276 C=CC[C@@H](C)OCCCC(=O)OC 34a_100000731007_100000742333 [0,2,0,0,0,0|0,0,2]=4 12102 B12R0.276 C=CC[C@@H](C)OCCCC(=O)OC 7a_100000731007_100011218270 [0,2,0,0,0,0|0,0,2]=4 12103 B12R0.276 C=CC[C@@H](N)COCCC(=O)OC 34a_100020615467_100000742370 [0,2,0,0,0,0|0,0,2]=4 12104 B12R0.276 C=COC(=O)CNCCC(C)CC 2230a_100020591266_100000036128 [0,2,0,0,0,0|1,0,1]=4 12105 B12R0.276 CC#CC(=O)CCCCC(=O)OC 1458a_100000763181_100000204269 [0,2,0,0,0,0|0,0,2]=4 12106 B12R0.276 CC#CC(C)OCCCC(=O)OC 34a_100011216543_100000742333 [0,2,0,0,0,0|0,0,2]=4 12107 B12R0.276 CC=CC(=O)CCCCC(=O)OC 1458a_100000210699_100000204269 [0,2,0,0,0,0|0,0,2]=4 12108 B12R0.276 CCC(C)CCNCC(=O)NCO 2230a_100020591266_100000185155 [0,2,0,0,0,0|2,0,0]=4 12109 B12R0.276 CCC(C)CCOCC(=O)NCO 7a_100011215188_100000185155 [0,2,0,0,0,0|2,0,0]=4 12110 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,2,0,0,0,0|0,0,0]=2 12111 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,2,0,0,0,0|0,0,0]=2 12112 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,2,0,0,0,0|0,0,1]=3 12113 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,2,0,0,0,0|0,0,1]=3 12114 B12R0.276 CCCC(=O)CNCCC(=O)NC 2230a_100000738227_100000747444 [0,2,0,0,0,0|1,0,1]=4 12115 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,2,0,0,0,0|2,0,0]=4 12116 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,2,0,0,0,0|2,0,0]=4 12117 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000737683_100000747444 [0,2,0,0,0,0|1,0,1]=4 12118 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000747444_100000737683 [0,2,0,0,0,0|1,0,1]=4 12119 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000204255_100000747444 [0,2,0,0,0,0|0,0,1]=3 12120 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000747444_100000204255 [0,2,0,0,0,0|0,0,1]=3 12121 B12R0.276 CCCC(=O)CSCOC(=O)OC 62a_100000747444_100000139417 [0,2,0,0,0,0|1,0,1]=4 12122 B12R0.276 CCCC(=O)NCCCC(=O)NC 11a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 12123 B12R0.276 CCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 12124 B12R0.276 CCCC(=O)NCCCC(=O)NC 527a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 12125 B12R0.276 CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211992 [0,2,0,0,0,0|0,0,1]=3 12126 B12R0.276 CCCC(=O)OCSCC(=O)OC 62a_100000747449_100000034017 [0,2,0,0,0,0|1,0,1]=4 12127 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,2,0,0,0,0|1,0,0]=3 12128 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,2,0,0,0,0|1,0,0]=3 12129 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,2,0,0,0,0|1,0,0]=3 12130 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,2,0,0,0,0|0,0,0]=2 12131 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,2,0,0,0,0|0,0,0]=2 12132 B12R0.276 CCCC(C)CNCCC(=O)NC 2230a_100000738227_100011216630 [0,2,0,0,0,0|1,0,0]=3 12133 B12R0.276 CCCC(C)CNCCC(=O)NC 270004a_100000738227_100000243154 [0,2,0,0,0,0|1,0,0]=3 12134 B12R0.276 CCCC(C)CNCCC(=O)NC 34a_100000738227_100011216630 [0,2,0,0,0,0|1,0,0]=3 12135 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000688023_100012179268 [0,2,0,0,0,0|1,0,0]=3 12136 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000754576_100011216630 [0,2,0,0,0,0|1,0,0]=3 12137 B12R0.276 CCCC(C)COCCC(=O)NC 7a_100000688023_100000737683 [0,2,0,0,0,0|1,0,0]=3 12138 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,2,0,0,0,0|0,0,0]=2 12139 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,2,0,0,0,0|0,0,0]=2 12140 B12R0.276 CCCC(C)COCCC(C)OC 7a_100000764861_100011216630 [0,2,0,0,0,0|1,0,1]=4 12141 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100000737683_100011216630 [0,2,0,0,0,0|1,0,0]=3 12142 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100011216630_100000737683 [0,2,0,0,0,0|1,0,0]=3 12143 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,2,0,0,0,0|0,0,0]=2 12144 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,2,0,0,0,0|0,0,0]=2 12145 B12R0.276 CCCC(C)CSCOC(=O)OC 62a_100011216630_100000139417 [0,2,0,0,0,0|1,0,0]=3 12146 B12R0.276 CCCC(C)NC/C=C/C(=O)OC 2230a_100000741246_100000742655 [0,2,0,0,0,0|0,0,2]=4 12147 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000740002_100000766640 [0,2,0,0,0,0|1,0,0]=3 12148 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000741246_100000741757 [0,2,0,0,0,0|1,0,0]=3 12149 B12R0.276 CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000211909 [0,2,0,0,0,0|1,0,0]=3 12150 B12R0.276 CCCC(C)NCCCC(=O)NC 34a_100000740002_100000766640 [0,2,0,0,0,0|1,0,0]=3 12151 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,2,0,0,0,0|0,0,0]=2 12152 B12R0.276 CCCC(C)NCCNC(=O)CC 270004a_100132302217_100000211909 [0,2,0,0,0,0|2,0,0]=4 12153 B12R0.276 CCCC(C)NCCNC(=O)CC 34a_100132302217_100000766640 [0,2,0,0,0,0|2,0,0]=4 12154 B12R0.276 CCCC(C)NCCNC(=O)NC 34a_100015205895_100000766640 [0,2,0,0,0,0|2,0,0]=4 12155 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 34a_100000764384_100000742655 [0,2,0,0,0,0|0,0,2]=4 12156 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 7a_100000764384_100000742655 [0,2,0,0,0,0|0,0,2]=4 12157 B12R0.276 CCCC(C)OCCCC(=O)NC 34a_100000764384_100000741757 [0,2,0,0,0,0|1,0,0]=3 12158 B12R0.276 CCCC(C)OCCCC(=O)NC 7a_100000764384_100000741757 [0,2,0,0,0,0|1,0,0]=3 12159 B12R0.276 CCCC(C)OCCCC(=O)NN 34a_100000211488_100000766640 [0,2,0,0,0,0|2,0,0]=4 12160 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,2,0,0,0,0|0,0,0]=2 12161 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,2,0,0,0,0|0,0,0]=2 12162 B12R0.276 CCCC(C)OCCNC(=O)CC 34a_200000158885_100000766640 [0,2,0,0,0,0|2,0,0]=4 12163 B12R0.276 CCCC(C)OCCNC(=O)CC 7a_200000158885_100000766640 [0,2,0,0,0,0|2,0,0]=4 12164 B12R0.276 CCCC(C)OCCNC(=O)OC 34a_100000757965_100000766640 [0,2,0,0,0,0|1,0,0]=3 12165 B12R0.276 CCCC(C)OCCOC(=O)CC 7a_200000031056_100000766640 [0,2,0,0,0,0|2,0,0]=4 12166 B12R0.276 CCCC(C)OCCOC(=O)NC 34a_100000764384_200011997002 [0,2,0,0,0,0|2,0,0]=4 12167 B12R0.276 CCCC(C)OCCOC(=O)NC 7a_100000764384_200011997002 [0,2,0,0,0,0|2,0,0]=4 12168 B12R0.276 CCCC(C)OCCOC(=O)OC 34a_100010262106_100000766640 [0,2,0,0,0,0|1,0,0]=3 12169 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000766640 [0,2,0,0,0,0|0,0,2]=4 12170 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000766640_100000742655 [0,2,0,0,0,0|0,0,2]=4 12171 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000741757_100000766640 [0,2,0,0,0,0|1,0,0]=3 12172 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000766640_100000741757 [0,2,0,0,0,0|1,0,0]=3 12173 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,2,0,0,0,0|0,0,0]=2 12174 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,2,0,0,0,0|0,0,0]=2 12175 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_100000766640_200011997002 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_200011997002_100000766640 [0,2,0,0,0,0|2,0,0]=4 12177 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,2,0,0,0,0|0,0,0]=2 12178 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,2,0,0,0,0|0,0,0]=2 12179 B12R0.276 CCCN(C)CCOCC(=O)OC 2230a_100000747261_100000090808 [0,2,0,0,0,0|1,0,0]=3 12180 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,2,0,0,0,0|1,0,0]=3 12181 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,2,0,0,0,0|0,0,0]=2 12182 B12R0.276 CCC[C@H](N)COCCC(=O)NC 34a_100000732646_100012179268 [0,2,0,0,0,0|1,0,0]=3 12183 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,2,0,0,0,0|0,0,0]=2 12184 B12R0.276 CCNC(=O)CCCCC(=O)OC 11a_100015525214_100000695723 [0,2,0,0,0,0|0,0,1]=3 12185 B12R0.276 CCNC(=O)CCCCC(=O)OC 240690a_100015525214_100000695723 [0,2,0,0,0,0|0,0,1]=3 12186 B12R0.276 CCNC(=O)CCCCC(=O)OC 527a_100015525214_100000695723 [0,2,0,0,0,0|0,0,1]=3 12187 B12R0.276 CCNC(=O)CCCNC(=O)OC 11a_100015525214_100000753017 [0,2,0,0,0,0|1,0,1]=4 12188 B12R0.276 CCNC(=O)CCCNC(=O)OC 240690a_100015525214_100000753017 [0,2,0,0,0,0|1,0,1]=4 12189 B12R0.276 CCNC(=O)CCCNC(=O)OC 527a_100015525214_100000753017 [0,2,0,0,0,0|1,0,1]=4 12190 B12R0.276 CCNC(=O)CCNCC(=O)OC 34a_100025743525_100000747449 [0,2,0,0,0,0|1,0,1]=4 12191 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [0,2,0,0,0,0|2,0,0]=4 12192 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [0,2,0,0,0,0|2,0,0]=4 12193 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [0,2,0,0,0,0|2,0,0]=4 12194 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [0,2,0,0,0,0|2,0,0]=4 12195 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [0,2,0,0,0,0|2,0,0]=4 12196 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [0,2,0,0,0,0|2,0,0]=4 12197 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [0,2,0,0,0,0|2,0,0]=4 12198 B12R0.276 CCNC(=O)CCSCC(=O)OC 62a_100000737597_100000747449 [0,2,0,0,0,0|1,0,1]=4 12199 B12R0.276 CCNC(=O)CCSCC(=O)OC 62a_100000747449_100000737597 [0,2,0,0,0,0|1,0,1]=4 12200 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [0,2,0,0,0,0|2,0,0]=4 12201 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [0,2,0,0,0,0|2,0,0]=4 12202 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [0,2,0,0,0,0|2,0,0]=4 12203 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [0,2,0,0,0,0|2,0,0]=4 12204 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [0,2,0,0,0,0|2,0,0]=4 12205 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [0,2,0,0,0,0|2,0,0]=4 12206 B12R0.276 CCNC(=O)CNCCC(=O)OC 2230a_100016988866_100000204255 [0,2,0,0,0,0|1,0,1]=4 12207 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [0,2,0,0,0,0|2,0,0]=4 12208 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,2,0,0,0,0|2,0,0]=4 12209 B12R0.276 CCNC(=O)CSCCC(=O)OC 62a_100000183381_100000204255 [0,2,0,0,0,0|1,0,1]=4 12210 B12R0.276 CCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183381 [0,2,0,0,0,0|1,0,1]=4 12211 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,2,0,0,0,0|0,0,1]=3 12212 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,2,0,0,0,0|0,0,1]=3 12213 B12R0.276 CCOC(=O)CCCCC(=O)CF 1458a_100011217402_100015361967 [0,2,0,0,0,0|1,0,1]=4 12214 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [0,2,0,0,0,0|1,0,1]=4 12215 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [0,2,0,0,0,0|1,0,1]=4 12216 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 12217 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 12218 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 12219 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [0,2,0,0,0,0|1,0,0]=3 12220 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [0,2,0,0,0,0|1,0,0]=3 12221 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,2,0,0,0,0|1,0,1]=4 12222 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [0,2,0,0,0,0|1,0,0]=3 12223 B12R0.276 CCOC(=O)CCCN[C@H](C)CO 2230a_100000737577_100009991533 [0,2,0,0,0,0|2,0,0]=4 12224 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [0,2,0,0,0,0|1,0,0]=3 12225 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [0,2,0,0,0,0|1,0,0]=3 12226 B12R0.276 CCOC(=O)CCCOC(C)CF 34a_100016041109_100009991533 [0,2,0,0,0,0|2,0,0]=4 12227 B12R0.276 CCOC(=O)CCCOC(C)CF 7a_100016041109_100011215271 [0,2,0,0,0,0|2,0,0]=4 12228 B12R0.276 CCOC(=O)CCCOC(C)CN 34a_100000210904_100009991533 [0,2,0,0,0,0|2,0,0]=4 12229 B12R0.276 CCOC(=O)CCCOC(C)CO 7a_100012001163_100012180447 [0,2,0,0,0,0|2,0,0]=4 12230 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [0,2,0,0,0,0|1,0,0]=3 12231 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [0,2,0,0,0,0|1,0,0]=3 12232 B12R0.276 CCOC(=O)CCCSC(C)CO 62a_100012180447_100009991533 [0,2,0,0,0,0|2,0,0]=4 12233 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009879195_100009991533 [0,2,0,0,0,0|2,0,0]=4 12234 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009991533_100009879195 [0,2,0,0,0,0|2,0,0]=4 12235 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100009991533_100016084084 [0,2,0,0,0,0|2,0,0]=4 12236 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100016084084_100009991533 [0,2,0,0,0,0|2,0,0]=4 12237 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [0,2,0,0,0,0|1,0,0]=3 12238 B12R0.276 CCOC(=O)CCNCC(C)CO 34a_100000744482_100000765890 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [0,2,0,0,0,0|1,0,0]=3 12240 B12R0.276 CCOC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011206558 [0,2,0,0,0,0|2,0,0]=4 12241 B12R0.276 CCOC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000765890 [0,2,0,0,0,0|2,0,0]=4 12242 B12R0.276 CCOC(=O)CCNC[C@H](O)CO 2230a_100020644852_100011206558 [0,2,0,0,0,0|2,0,0]=4 12243 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [0,2,0,0,0,0|1,0,1]=4 12244 B12R0.276 CCOC(=O)CCOCC(C)CN 34a_100000744482_100000765890 [0,2,0,0,0,0|2,0,0]=4 12245 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [0,2,0,0,0,0|2,0,0]=4 12246 B12R0.276 CCOC(=O)CCOCC(Cl)CCl 34a_100000033668_100000765890 [0,2,0,0,0,0|2,0,0]=4 12247 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [0,2,0,0,0,0|1,0,0]=3 12248 B12R0.276 CCOC(=O)CCOC[C@H](F)CN 34a_100015665980_100000765890 [0,2,0,0,0,0|2,0,0]=4 12249 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [0,2,0,0,0,0|1,0,1]=4 12250 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [0,2,0,0,0,0|1,0,1]=4 12251 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000747449_100000765890 [0,2,0,0,0,0|1,0,1]=4 12252 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000765890_100000747449 [0,2,0,0,0,0|1,0,1]=4 12253 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [0,2,0,0,0,0|1,0,0]=3 12254 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [0,2,0,0,0,0|1,0,0]=3 12255 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [0,2,0,0,0,0|1,0,0]=3 12256 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [0,2,0,0,0,0|1,0,0]=3 12257 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100000765890_100011219619 [0,2,0,0,0,0|2,0,0]=4 12258 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100011219619_100000765890 [0,2,0,0,0,0|2,0,0]=4 12259 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [0,2,0,0,0,0|1,0,0]=3 12260 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [0,2,0,0,0,0|1,0,0]=3 12261 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000765890 [0,2,0,0,0,0|2,0,0]=4 12262 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000765890_100000059175 [0,2,0,0,0,0|2,0,0]=4 12263 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100000765890_100015614560 [0,2,0,0,0,0|2,0,0]=4 12264 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000765890 [0,2,0,0,0,0|2,0,0]=4 12265 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100000765890_100009815848 [0,2,0,0,0,0|2,0,0]=4 12266 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000765890 [0,2,0,0,0,0|2,0,0]=4 12267 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [0,2,0,0,0,0|1,0,0]=3 12268 B12R0.276 CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000188475 [0,2,0,0,0,0|2,0,0]=4 12269 B12R0.276 CCOC(=O)CNCCC(C)CO 34a_106354213184_100000188475 [0,2,0,0,0,0|2,0,0]=4 12270 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,2,0,0,0,0|1,0,1]=4 12271 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,2,0,0,0,0|1,0,0]=3 12272 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [0,2,0,0,0,0|2,0,0]=4 12273 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [0,2,0,0,0,0|2,0,0]=4 12274 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [0,2,0,0,0,0|2,0,0]=4 12275 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000188475_100000204255 [0,2,0,0,0,0|1,0,1]=4 12276 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000188475 [0,2,0,0,0,0|1,0,1]=4 12277 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [0,2,0,0,0,0|2,0,0]=4 12278 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [0,2,0,0,0,0|2,0,0]=4 12279 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [0,2,0,0,0,0|2,0,0]=4 12280 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [0,2,0,0,0,0|2,0,0]=4 12281 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [0,2,0,0,0,0|2,0,0]=4 12282 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [0,2,0,0,0,0|2,0,0]=4 12283 B12R0.276 CNC(=O)CCCNC(C)CCO 2230a_100000740002_100009893172 [0,2,0,0,0,0|2,0,0]=4 12284 B12R0.276 CNC(=O)CCCNC(C)CCO 34a_100000740002_100009893172 [0,2,0,0,0,0|2,0,0]=4 12285 B12R0.276 CNC(=O)CCCNC(C)COC 2230a_100000740002_100000765312 [0,2,0,0,0,0|2,0,0]=4 12286 B12R0.276 CNC(=O)CCCNC(C)COC 270004a_100000740002_100000749346 [0,2,0,0,0,0|2,0,0]=4 12287 B12R0.276 CNC(=O)CCCNC(C)COC 34a_100000740002_100000765312 [0,2,0,0,0,0|2,0,0]=4 12288 B12R0.276 CNC(=O)CCCNC(C)CSC 270004a_100000740002_100011216314 [0,2,0,0,0,0|2,0,0]=4 12289 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100000741757 [0,2,0,0,0,0|2,0,0]=4 12290 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000741757 [0,2,0,0,0,0|2,0,0]=4 12291 B12R0.276 CNC(=O)CCCN[C@H](C)COC 2230a_100000764878_100000741757 [0,2,0,0,0,0|2,0,0]=4 12292 B12R0.276 CNC(=O)CCCOC(C)CCBr 34a_100012276601_100000741757 [0,2,0,0,0,0|2,0,0]=4 12293 B12R0.276 CNC(=O)CCCO[C@H](C)COC 34a_100011934205_100000741757 [0,2,0,0,0,0|2,0,0]=4 12294 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100000741757_100009893172 [0,2,0,0,0,0|2,0,0]=4 12295 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100009893172_100000741757 [0,2,0,0,0,0|2,0,0]=4 12296 B12R0.276 CNC(=O)CCCSC(C)COC 62a_100000741757_100000765312 [0,2,0,0,0,0|2,0,0]=4 12297 B12R0.276 CNC(=O)CCCSC(C)COC 62a_100000765312_100000741757 [0,2,0,0,0,0|2,0,0]=4 12298 B12R0.276 CNC(=O)CCNCC(O)COC 2230a_100000756049_100000737683 [0,2,0,0,0,0|2,0,0]=4 12299 B12R0.276 CNC(=O)CCNCC(O)COC 34a_100000738227_100011215053 [0,2,0,0,0,0|2,0,0]=4 12300 B12R0.276 CNC(=O)CCNCC(O)COC 34a_100000756049_100012179268 [0,2,0,0,0,0|2,0,0]=4 12301 B12R0.276 CNC(=O)CCOCC(C)CCN 34a_106354213184_100012179268 [0,2,0,0,0,0|2,0,0]=4 12302 B12R0.276 CNC(=O)CCOCC(N)COC 34a_100000724102_100012179268 [0,2,0,0,0,0|2,0,0]=4 12303 B12R0.276 CNC(=O)CCOCC(O)COC 34a_100000754576_100011215053 [0,2,0,0,0,0|2,0,0]=4 12304 B12R0.276 CNC(=O)CCSCC(O)COC 62a_100000737683_100011215053 [0,2,0,0,0,0|2,0,0]=4 12305 B12R0.276 CNC(=O)CCSCC(O)COC 62a_100011215053_100000737683 [0,2,0,0,0,0|2,0,0]=4 12306 B12R0.276 CNCC(=O)NCCCC(=O)OC 2230a_106832991635_100000230218 [0,2,0,0,0,0|1,0,1]=4 12307 B12R0.276 CNCC(=O)NCCCC(=O)OC 34a_100102657272_100000230218 [0,2,0,0,0,0|1,0,1]=4 12308 B12R0.276 CNCC(=O)NCCCC(=O)OC 7a_106832991635_100000230218 [0,2,0,0,0,0|1,0,1]=4 12309 B12R0.276 CNNC(=O)CCCCC(=O)OC 22a_100016993582_100000695723 [0,2,0,0,0,0|1,0,1]=4 12310 B12R0.276 COC(=O)CCCCC(=O)CC#N 1458a_100000695723_100011214920 [0,2,0,0,0,0|0,0,2]=4 12311 B12R0.276 COC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000204269 [0,2,0,0,0,0|0,0,2]=4 12312 B12R0.276 COC(=O)CCCCC(=O)CCF 1458a_100000695723_100011217306 [0,2,0,0,0,0|0,0,1]=3 12313 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100000695723_100000211926 [0,2,0,0,0,0|0,0,1]=3 12314 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100011216618_100000204269 [0,2,0,0,0,0|0,0,1]=3 12315 B12R0.276 COC(=O)CCCCC(=O)CSC 1458a_100000184570_100000204269 [0,2,0,0,0,0|0,0,1]=3 12316 B12R0.276 COC(=O)CCCCN(C)CC#N 2230a_100000748184_100000204269 [0,2,0,0,0,0|1,0,1]=4 12317 B12R0.276 COC(=O)CCCCN(C)CCO 2230a_100000210263_100000204269 [0,2,0,0,0,0|1,0,0]=3 12318 B12R0.276 COC(=O)CCCCN(C)CCO 269982a_100000210263_100000204269 [0,2,0,0,0,0|1,0,0]=3 12319 B12R0.276 COC(=O)CCCNC(=O)CSC 188690a_100000184769_100000184570 [0,2,0,0,0,0|1,0,1]=4 12320 B12R0.276 COC(=O)CCCNC(=O)CSC 62a_100000230218_200000210301 [0,2,0,0,0,0|1,0,1]=4 12321 B12R0.276 COC(=O)CCCNC(=O)CSC 62a_200000210301_100000230218 [0,2,0,0,0,0|1,0,1]=4 12322 B12R0.276 COC(=O)CCCNC(=O)CS[13CH3] 62a_100000230218_200025704644 [0,2,0,0,0,0|1,0,1]=4 12323 B12R0.276 COC(=O)CCCNC(=O)CS[13CH3] 62a_200025704644_100000230218 [0,2,0,0,0,0|1,0,1]=4 12324 B12R0.276 COC(=O)CCCN[C@@H](C)CC#N 2230a_100016994482_100011218270 [0,2,0,0,0,0|1,0,1]=4 12325 B12R0.276 COC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100011218270 [0,2,0,0,0,0|1,0,0]=3 12326 B12R0.276 COC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000742333 [0,2,0,0,0,0|1,0,0]=3 12327 B12R0.276 COC(=O)CCCOC(C)CCBr 34a_100012276601_100000742333 [0,2,0,0,0,0|1,0,0]=3 12328 B12R0.276 COC(=O)CCCSC(C)CC#N 62a_100009813641_100011218270 [0,2,0,0,0,0|1,0,1]=4 12329 B12R0.276 COC(=O)CCCSC(C)CC#N 62a_100011218270_100009813641 [0,2,0,0,0,0|1,0,1]=4 12330 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100009893172_100011218270 [0,2,0,0,0,0|1,0,0]=3 12331 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100011218270_100009893172 [0,2,0,0,0,0|1,0,0]=3 12332 B12R0.276 COC(=O)CCOCC(C)CCN 34a_106354213184_100000742370 [0,2,0,0,0,0|1,0,0]=3 12333 B12R0.276 COC(=O)CCSC[C@@H](O)CC#N 62a_100000001066_100000204255 [0,2,0,0,0,0|1,0,1]=4 12334 B12R0.276 COC(=O)CCSC[C@@H](O)CC#N 62a_100000204255_100000001066 [0,2,0,0,0,0|1,0,1]=4 12335 B12R0.276 COC(=O)COCCC(=O)CCO 1458a_100011216618_100000090808 [0,2,0,0,0,0|1,0,1]=4 12336 B12R0.276 COC(=O)COCCC(=O)CSC 1458a_100000184570_100000090808 [0,2,0,0,0,0|1,0,1]=4 12337 B12R0.276 COC(=O)COCCN(C)CCO 2230a_100000210263_100000090808 [0,2,0,0,0,0|2,0,0]=4 12338 B12R0.276 COC(=O)NCCCC(=O)CCF 1458a_100000753017_100011217306 [0,2,0,0,0,0|1,0,1]=4 12339 B12R0.276 COC(=O)NCCCC(=O)CCO 1458a_100000753017_100000211926 [0,2,0,0,0,0|1,0,1]=4 12340 B12R0.276 COC(=O)NCCOC(C)CCO 34a_100000757965_100009893172 [0,2,0,0,0,0|2,0,0]=4 12341 B12R0.276 COC(=O)OCCOC(C)CCO 34a_100010262106_100009893172 [0,2,0,0,0,0|2,0,0]=4 12342 B12R0.276 COCC(=O)CCCCC(=O)OC 1458a_100000210968_100000204269 [0,2,0,0,0,0|0,0,1]=3 12343 B12R0.276 COCC(=O)CCOCC(=O)OC 1458a_100000210968_100000090808 [0,2,0,0,0,0|1,0,1]=4 12344 B12R0.276 COCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210968 [0,2,0,0,0,0|1,0,1]=4 12345 B12R0.276 COCC(=O)NCCCC(=O)OC 34a_100138415774_100000230218 [0,2,0,0,0,0|1,0,1]=4 12346 B12R0.276 COCC(C)OCCNC(=O)OC 34a_100000757965_100000765312 [0,2,0,0,0,0|2,0,0]=4 12347 B12R0.276 COCC(C)OCCOC(=O)OC 34a_100010262106_100000765312 [0,2,0,0,0,0|2,0,0]=4 12348 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100000765312_100011218270 [0,2,0,0,0,0|1,0,0]=3 12349 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100011218270_100000765312 [0,2,0,0,0,0|1,0,0]=3 12350 B12R0.276 COCC(N)COCCC(=O)OC 34a_100000724102_100000742370 [0,2,0,0,0,0|1,0,0]=3 12351 B12R0.276 COCC(O)CNCCC(=O)OC 2230a_100000756049_100000204255 [0,2,0,0,0,0|1,0,0]=3 12352 B12R0.276 COCC(O)CNCCC(=O)OC 34a_100000756049_100000742370 [0,2,0,0,0,0|1,0,0]=3 12353 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100000204255_100011215053 [0,2,0,0,0,0|1,0,0]=3 12354 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100011215053_100000204255 [0,2,0,0,0,0|1,0,0]=3 12355 B12R0.276 COCC(O)CSCOC(=O)OC 62a_100011215053_100000139417 [0,2,0,0,0,0|2,0,0]=4 12356 B12R0.276 COC[C@@H](C)NCCCC(=O)OC 2230a_100000764878_100011218270 [0,2,0,0,0,0|1,0,0]=3 12357 B12R0.276 COC[C@@H](C)OCCCC(=O)OC 34a_100011934205_100000742333 [0,2,0,0,0,0|1,0,0]=3 12358 B12R0.277 C#CCC(=O)CCCCCC(C)C 1458a_100000766313_100000184674 [0,2,0,0,0,0|1,0,1]=4 12359 B12R0.277 C#CCC(=O)CCCCCC(C)C 1458a_100011220946_100000210682 [0,2,0,0,0,0|1,0,1]=4 12360 B12R0.277 C=C(C)CCOCCC(=O)OCC 34a_100000764851_100000765890 [0,2,0,0,0,0|1,0,1]=4 12361 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000730704_100000765890 [0,2,0,0,0,0|1,0,1]=4 12362 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000765890_100000730704 [0,2,0,0,0,0|1,0,1]=4 12363 B12R0.277 C=C(C)COCCCC(=O)OCC 34a_100000210245_100009991533 [0,2,0,0,0,0|1,0,1]=4 12364 B12R0.277 C=C(C)COCCCC(=O)OCC 7a_100012001163_100000748629 [0,2,0,0,0,0|1,0,1]=4 12365 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100000748629_100009991533 [0,2,0,0,0,0|1,0,1]=4 12366 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100009991533_100000211660 [0,2,0,0,0,0|1,0,1]=4 12367 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000210193_100000210682 [0,2,0,0,0,0|1,0,1]=4 12368 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210623 [0,2,0,0,0,0|1,0,1]=4 12369 B12R0.277 C=COC(=O)CNCCCC(C)C 2230a_200000737386_100000036128 [0,2,0,0,0,0|1,0,1]=4 12370 B12R0.277 C=COC(=O)CNCCCC(C)C 34a_200000737386_100000036128 [0,2,0,0,0,0|1,0,1]=4 12371 B12R0.277 C=COC(=O)COCCCC(C)C 34a_100000210774_100000036128 [0,2,0,0,0,0|1,0,1]=4 12372 B12R0.277 C=COC(=O)CSCCCC(C)C 62a_100000036128_100011214892 [0,2,0,0,0,0|1,0,1]=4 12373 B12R0.277 C=COC(=O)CSCCCC(C)C 62a_100011214892_100000036128 [0,2,0,0,0,0|1,0,1]=4 12374 B12R0.277 C=COC(=O)CSCCCC(C)O 62a_100000036128_200000718107 [0,2,0,0,0,0|1,0,1]=4 12375 B12R0.277 C=COC(=O)CSCCCC(C)O 62a_200000718107_100000036128 [0,2,0,0,0,0|1,0,1]=4 12376 B12R0.277 CC#CC(=O)CCCCCC(C)C 1458a_100000763181_100000210682 [0,2,0,0,0,0|1,0,0]=3 12377 B12R0.277 CC(C)CCCCCC(=O)C=CBr 1458a_100016273825_100000210682 [0,2,0,0,0,0|1,0,1]=4 12378 B12R0.277 CC(C)CCCCCC(=O)C=CCl 1458a_200016279998_100000210682 [0,2,0,0,0,0|1,0,1]=4 12379 B12R0.277 CC(C)CCCCCC(=O)C=CI 1458a_100016256311_100000210682 [0,2,0,0,0,0|1,0,1]=4 12380 B12R0.277 CC(C)CCCCCC(=O)CC#N 1458a_100000766313_100011214920 [0,2,0,0,0,0|1,0,1]=4 12381 B12R0.277 CC(C)CCCCCC(=O)CC#N 1458a_100051588842_100000210682 [0,2,0,0,0,0|1,0,1]=4 12382 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,2,0,0,0,0|1,0,0]=3 12383 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,2,0,0,0,0|1,0,0]=3 12384 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,2,0,0,0,0|1,0,0]=3 12385 B12R0.277 CC(C)CCCNCC(=O)NCO 2230a_200000737386_100000185155 [0,2,0,0,0,0|2,0,0]=4 12386 B12R0.277 CC(C)CCCNCC(=O)NCO 34a_200000737386_100000185155 [0,2,0,0,0,0|2,0,0]=4 12387 B12R0.277 CC(C)CCCOCC(=O)NCO 34a_100000210774_100000185155 [0,2,0,0,0,0|2,0,0]=4 12388 B12R0.277 CC(C)CCCOCC(=O)NCO 7a_100000210774_100000185155 [0,2,0,0,0,0|2,0,0]=4 12389 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100000185155_100011214892 [0,2,0,0,0,0|2,0,0]=4 12390 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100011214892_100000185155 [0,2,0,0,0,0|2,0,0]=4 12391 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_100000185155_200000718107 [0,2,0,0,0,0|2,0,0]=4 12392 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_200000718107_100000185155 [0,2,0,0,0,0|2,0,0]=4 12393 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [0,2,0,0,0,0|1,0,0]=3 12394 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,2,0,0,0,0|1,0,0]=3 12395 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,2,0,0,0,0|1,0,0]=3 12396 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,2,0,0,0,0|2,0,0]=4 12397 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,2,0,0,0,0|2,0,0]=4 12398 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,2,0,0,0,0|2,0,0]=4 12399 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,2,0,0,0,0|2,0,0]=4 12400 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,2,0,0,0,0|2,0,0]=4 12401 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,2,0,0,0,0|2,0,0]=4 12402 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 12403 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 12404 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 12405 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [0,2,0,0,0,0|2,0,0]=4 12406 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [0,2,0,0,0,0|2,0,0]=4 12407 B12R0.277 CCNC(=O)CCNCCC(C)O 2230a_200000755665_100000737597 [0,2,0,0,0,0|2,0,0]=4 12408 B12R0.277 CCNC(=O)CCNCCC(C)O 34a_100025743525_100012276601 [0,2,0,0,0,0|2,0,0]=4 12409 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [0,2,0,0,0,0|2,0,0]=4 12410 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [0,2,0,0,0,0|2,0,0]=4 12411 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [0,2,0,0,0,0|2,0,0]=4 12412 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100000737597_100012276601 [0,2,0,0,0,0|2,0,0]=4 12413 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100012276601_100000737597 [0,2,0,0,0,0|2,0,0]=4 12414 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [0,2,0,0,0,0|2,0,0]=4 12415 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [0,2,0,0,0,0|2,0,0]=4 12416 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [0,2,0,0,0,0|2,0,0]=4 12418 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,2,0,0,0,0|2,0,0]=4 12419 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,2,0,0,0,0|2,0,0]=4 12420 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [0,2,0,0,0,0|2,0,0]=4 12421 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [0,2,0,0,0,0|2,0,0]=4 12422 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [0,2,0,0,0,0|2,0,0]=4 12423 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [0,2,0,0,0,0|2,0,0]=4 12424 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|0,0,1]=3 12425 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|0,0,1]=3 12426 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|0,0,1]=3 12427 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [0,2,0,0,0,0|1,0,0]=3 12428 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [0,2,0,0,0,0|1,0,0]=3 12429 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,2,0,0,0,0|1,0,1]=4 12430 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [0,2,0,0,0,0|1,0,0]=3 12431 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [0,2,0,0,0,0|1,0,0]=3 12432 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [0,2,0,0,0,0|1,0,0]=3 12433 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [0,2,0,0,0,0|1,0,0]=3 12434 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [0,2,0,0,0,0|1,0,0]=3 12435 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [0,2,0,0,0,0|1,0,0]=3 12436 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [0,2,0,0,0,0|1,0,0]=3 12437 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [0,2,0,0,0,0|1,0,0]=3 12438 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [0,2,0,0,0,0|1,0,0]=3 12439 B12R0.277 CCOC(=O)CCCNCC(F)F 34a_100000765723_100009991533 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [0,2,0,0,0,0|1,0,1]=4 12441 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [0,2,0,0,0,0|1,0,0]=3 12442 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [0,2,0,0,0,0|1,0,0]=3 12443 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [0,2,0,0,0,0|1,0,0]=3 12444 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [0,2,0,0,0,0|1,0,0]=3 12445 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [0,2,0,0,0,0|1,0,0]=3 12446 B12R0.277 CCOC(=O)CCCOCC(F)F 34a_100000743014_100009991533 [0,2,0,0,0,0|2,0,0]=4 12447 B12R0.277 CCOC(=O)CCCOCC(F)F 7a_100012001163_100011934356 [0,2,0,0,0,0|2,0,0]=4 12448 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [0,2,0,0,0,0|1,0,0]=3 12449 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [0,2,0,0,0,0|1,0,0]=3 12450 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [0,2,0,0,0,0|1,0,0]=3 12451 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [0,2,0,0,0,0|1,0,0]=3 12452 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [0,2,0,0,0,0|1,0,0]=3 12453 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [0,2,0,0,0,0|1,0,0]=3 12454 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [0,2,0,0,0,0|1,0,0]=3 12455 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100009991533_100011934356 [0,2,0,0,0,0|2,0,0]=4 12456 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100011934356_100009991533 [0,2,0,0,0,0|2,0,0]=4 12457 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [0,2,0,0,0,0|1,0,0]=3 12458 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [0,2,0,0,0,0|1,0,0]=3 12459 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [0,2,0,0,0,0|1,0,0]=3 12460 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [0,2,0,0,0,0|1,0,1]=4 12461 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [0,2,0,0,0,0|1,0,1]=4 12462 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [0,2,0,0,0,0|1,0,0]=3 12463 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [0,2,0,0,0,0|1,0,0]=3 12464 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [0,2,0,0,0,0|1,0,0]=3 12465 B12R0.277 CCOC(=O)CCOCCC(F)F 34a_100103093639_100000765890 [0,2,0,0,0,0|2,0,0]=4 12466 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [0,2,0,0,0,0|1,0,0]=3 12467 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [0,2,0,0,0,0|1,0,1]=4 12468 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [0,2,0,0,0,0|1,0,1]=4 12469 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [0,2,0,0,0,0|1,0,0]=3 12470 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [0,2,0,0,0,0|1,0,0]=3 12471 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [0,2,0,0,0,0|1,0,0]=3 12472 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [0,2,0,0,0,0|1,0,0]=3 12473 B12R0.277 CCOC(=O)CCSCCN(C)C 62a_100000765890_100000755713 [0,2,0,0,0,0|2,0,0]=4 12474 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000709892_100000765890 [0,2,0,0,0,0|2,0,0]=4 12475 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000765890_100000709892 [0,2,0,0,0,0|2,0,0]=4 12476 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [0,2,0,0,0,0|1,0,0]=3 12477 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [0,2,0,0,0,0|1,0,0]=3 12478 B12R0.277 CCOC(=O)CNCCCS(=O)C 2230a_200000753449_100000188475 [0,2,0,0,0,0|2,0,0]=4 12479 B12R0.277 CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000188475 [0,2,0,0,0,0|2,0,0]=4 12480 B12R0.277 CCOC(=O)CNCCOC(C)C 34a_100000701111_100000188475 [0,2,0,0,0,0|2,0,0]=4 12481 B12R0.277 CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000188475 [0,2,0,0,0,0|2,0,0]=4 12482 B12R0.277 CCOC(=O)CNCCSC(C)C 34a_100000731138_100000188475 [0,2,0,0,0,0|2,0,0]=4 12483 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,2,0,0,0,0|1,0,1]=4 12484 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,2,0,0,0,0|1,0,1]=4 12485 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,2,0,0,0,0|1,0,1]=4 12486 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,2,0,0,0,0|1,0,0]=3 12487 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,2,0,0,0,0|1,0,0]=3 12488 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [0,2,0,0,0,0|2,0,0]=4 12489 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [0,2,0,0,0,0|2,0,0]=4 12490 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [0,2,0,0,0,0|2,0,0]=4 12491 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [0,2,0,0,0,0|2,0,0]=4 12492 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [0,2,0,0,0,0|2,0,0]=4 12493 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [0,2,0,0,0,0|2,0,0]=4 12494 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [0,2,0,0,0,0|2,0,0]=4 12495 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [0,2,0,0,0,0|2,0,0]=4 12496 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [0,2,0,0,0,0|2,0,0]=4 12497 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [0,2,0,0,0,0|2,0,0]=4 12498 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [0,2,0,0,0,0|2,0,0]=4 12499 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [0,2,0,0,0,0|2,0,0]=4 12500 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [0,2,0,0,0,0|1,0,1]=4 12501 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [0,2,0,0,0,0|1,0,1]=4 12502 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [0,2,0,0,0,0|1,0,0]=3 12503 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [0,2,0,0,0,0|1,0,0]=3 12504 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [0,2,0,0,0,0|1,0,0]=3 12505 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [0,2,0,0,0,0|1,0,0]=3 12506 B12R0.277 CCOC(=O)CSCCCN(C)C 62a_100000188475_100000757444 [0,2,0,0,0,0|2,0,0]=4 12507 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000188475_100000211751 [0,2,0,0,0,0|2,0,0]=4 12508 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000211751_100000188475 [0,2,0,0,0,0|2,0,0]=4 12509 B12R0.277 CCOC(=O)CSCCOC(C)C 7a_200000230590_100000210206 [0,2,0,0,0,0|2,0,0]=4 12510 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000188475_100000730970 [0,2,0,0,0,0|2,0,0]=4 12511 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000730970_100000188475 [0,2,0,0,0,0|2,0,0]=4 12512 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [0,2,0,0,0,0|2,0,0]=4 12513 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [0,2,0,0,0,0|2,0,0]=4 12514 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [0,2,0,0,0,0|2,0,0]=4 12515 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [0,2,0,0,0,0|2,0,0]=4 12516 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [0,2,0,0,0,0|2,0,0]=4 12517 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [0,2,0,0,0,0|2,0,0]=4 12518 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [0,2,0,0,0,0|2,0,0]=4 12519 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [0,2,0,0,0,0|2,0,0]=4 12520 B12R0.277 CNNC(=O)CCCCCC(C)C 22a_100016993582_100000766313 [0,2,0,0,0,0|1,0,0]=3 12521 B12R0.277 COCC(=O)CCCCCB(O)O 1458a_100000210968_200009817188 [0,2,0,0,0,0|2,0,0]=4 12522 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,2,0,0,0,0|1,0,1]=4 12523 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,2,0,0,0,0|0,0,0]=2 12524 B12R0.277 COCC(=O)CCCCOC(=O)C 1458a_100000210968_100000033659 [0,2,0,0,0,0|1,0,1]=4 12525 B12R0.277 COCC(=O)CCCCSC(=O)C 1458a_100000210968_200010402107 [0,2,0,0,0,0|1,0,1]=4 12526 B12R0.277 COCC(=O)NCCCCN(C)C 240690a_100025707445_100000210968 [0,2,0,0,0,0|2,0,0]=4 12527 B12R0.277 COCC(=O)NCCCOC(C)C 11a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 12528 B12R0.277 COCC(=O)NCCCOC(C)C 1626a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 12529 B12R0.277 COCC(=O)NCCCOC(C)C 240690a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 12530 B12R0.277 COCC(=O)NCCCOC(C)C 34a_100138415774_100000230355 [0,2,0,0,0,0|2,0,0]=4 12531 B12R0.277 COCC(=O)NCCCOC(C)C 527a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 12532 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,2,0,0,0,0|0,1,0]=3 12533 B12R0.285 C=COC(=O)COCC(C)CCC 34a_100000688023_100000036128 [0,2,0,0,0,0|1,0,1]=4 12534 B12R0.285 C=COC(=O)COC[C@@H](N)CCC 34a_100000732646_100000036128 [0,2,0,0,0,0|1,0,1]=4 12535 B12R0.285 C=COC(=O)CSCC(C)CCC 62a_100000036128_100011216630 [0,2,0,0,0,0|1,0,1]=4 12536 B12R0.285 C=COC(=O)CSCC(C)CCC 62a_100011216630_100000036128 [0,2,0,0,0,0|1,0,1]=4 12537 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,2,0,0,0,0|1,0,1]=4 12538 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,2,0,0,0,0|0,0,1]=3 12539 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,2,0,0,0,0|0,0,1]=3 12540 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,2,0,0,0,0|1,0,1]=4 12541 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,2,0,0,0,0|2,0,0]=4 12542 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,2,0,0,0,0|1,0,1]=4 12543 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,2,0,0,0,0|1,0,1]=4 12544 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,2,0,0,0,0|2,0,0]=4 12545 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,2,0,0,0,0|2,0,0]=4 12546 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,2,0,0,0,0|1,0,1]=4 12547 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [0,2,0,0,0,0|2,0,0]=4 12548 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [0,2,0,0,0,0|2,0,0]=4 12549 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,2,0,0,0,0|2,0,0]=4 12550 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,2,0,0,0,0|2,0,0]=4 12551 B12R0.285 CCCC(C)COCC(=O)NCO 34a_100000688023_100000185155 [0,2,0,0,0,0|2,0,0]=4 12552 B12R0.285 CCCC(C)COCC(=O)NCO 7a_100000688023_100000185155 [0,2,0,0,0,0|2,0,0]=4 12553 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,2,0,0,0,0|1,0,0]=3 12554 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,2,0,0,0,0|1,0,0]=3 12555 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [0,2,0,0,0,0|2,0,0]=4 12556 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [0,2,0,0,0,0|2,0,0]=4 12557 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100000185155_100011216630 [0,2,0,0,0,0|2,0,0]=4 12558 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100011216630_100000185155 [0,2,0,0,0,0|2,0,0]=4 12559 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,2,0,0,0,0|1,0,0]=3 12560 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,2,0,0,0,0|1,0,0]=3 12561 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [0,2,0,0,0,0|2,0,0]=4 12562 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [0,2,0,0,0,0|2,0,0]=4 12563 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [0,2,0,0,0,0|2,0,0]=4 12564 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,2,0,0,0,0|1,0,0]=3 12565 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,2,0,0,0,0|2,0,0]=4 12566 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,2,0,0,0,0|1,0,0]=3 12567 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,2,0,0,0,0|1,0,0]=3 12568 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [0,2,0,0,0,0|2,0,0]=4 12569 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [0,2,0,0,0,0|2,0,0]=4 12570 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,2,0,0,0,0|1,0,0]=3 12571 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,2,0,0,0,0|1,0,0]=3 12572 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,2,0,0,0,0|2,0,0]=4 12573 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,2,0,0,0,0|1,0,0]=3 12574 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,2,0,0,0,0|1,0,0]=3 12575 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,2,0,0,0,0|2,0,0]=4 12576 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,2,0,0,0,0|2,0,0]=4 12577 B12R0.285 CCC[C@H](N)COCC(=O)NCO 34a_100000732646_100000185155 [0,2,0,0,0,0|2,0,0]=4 12578 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,2,0,0,0,0|1,0,0]=3 12579 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,2,0,0,0,0|1,0,1]=4 12580 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,2,0,0,0,0|1,0,1]=4 12581 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,2,0,0,0,0|1,0,1]=4 12582 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,2,0,0,0,0|1,0,1]=4 12583 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,2,0,0,0,0|1,0,1]=4 12584 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,2,0,0,0,0|1,0,1]=4 12585 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,2,0,0,0,0|1,0,1]=4 12586 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,2,0,0,0,0|1,0,1]=4 12587 B12R0.285 CCOC(=O)CCCN(C)CCO 2230a_100000210263_100009991533 [0,2,0,0,0,0|2,0,0]=4 12588 B12R0.285 CCOC(=O)CCCN(C)CCO 269982a_100000210263_100009991533 [0,2,0,0,0,0|2,0,0]=4 12589 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 2230a_100000706166_100011206558 [0,2,0,0,0,0|2,0,0]=4 12590 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 34a_100000706166_100000765890 [0,2,0,0,0,0|2,0,0]=4 12591 B12R0.285 CCOC(=O)CCN[C@H](C)COC 2230a_100000764878_100011206558 [0,2,0,0,0,0|2,0,0]=4 12592 B12R0.285 CCOC(=O)CCOC(C)CCBr 34a_100012276601_100000765890 [0,2,0,0,0,0|2,0,0]=4 12593 B12R0.285 CCOC(=O)CCO[C@H](C)COC 34a_100011934205_100000765890 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100000765890_100009893172 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100009893172_100000765890 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765312_100000765890 [0,2,0,0,0,0|2,0,0]=4 12597 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765890_100000765312 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.285 CCOC(=O)CNCC(O)COC 2230a_100000756049_100000188475 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.285 CCOC(=O)CNCC(O)COC 34a_100000756049_100000188475 [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100000188475_100011215053 [0,2,0,0,0,0|2,0,0]=4 12603 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100011215053_100000188475 [0,2,0,0,0,0|2,0,0]=4 12604 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [0,2,0,0,0,0|1,0,1]=4 12605 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,2,0,0,0,0|1,0,1]=4 12606 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,2,0,0,0,0|1,0,1]=4 12607 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,2,0,0,0,0|1,0,1]=4 12608 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,2,0,0,0,0|1,0,1]=4 12609 B12R0.57 CCCCCCNCC(OC)OC 2230a_100000210581_100000751394 [0,2,0,0,0,0|0,0,2]=4 12610 B12R0.57 CCCCCCNCC(OC)OC 270004a_100000210581_100000752162 [0,2,0,0,0,0|0,0,2]=4 12611 B12R0.57 CCCCCCOCC(CC)OC 34a_100011934954_100000210314 [0,2,0,0,0,0|1,0,1]=4 12612 B12R0.57 CCCCCCOCC(CC)OC 7a_100011934954_100000210314 [0,2,0,0,0,0|1,0,1]=4 12613 B12R0.57 CCCCCCOCC(OC)OC 34a_100000210259_100000211822 [0,2,0,0,0,0|0,0,2]=4 12614 B12R0.57 CCCCCCOCC(OC)OC 34a_100011216393_100000210314 [0,2,0,0,0,0|0,0,2]=4 12615 B12R0.57 CCCCCCOCC(OC)OC 7a_100000210259_100000751394 [0,2,0,0,0,0|0,0,2]=4 12616 B12R0.57 CCCCCCSCC(OC)OC 62a_100000210314_100000751394 [0,2,0,0,0,0|0,0,2]=4 12617 B12R0.57 CCCCCCSCC(OC)OC 62a_100000751394_100000210757 [0,2,0,0,0,0|0,0,2]=4 12618 B12R0.57 CCCCCNCCC(OC)OC 2230a_100000209983_100009813347 [0,2,0,0,0,0|0,0,2]=4 12619 B12R0.57 CCCCCOCCC(OC)OC 34a_100000210253_100000139399 [0,2,0,0,0,0|0,0,2]=4 12620 B12R0.57 CCCCCOCCC(OC)OC 7a_100000210253_100009813347 [0,2,0,0,0,0|0,0,2]=4 12621 B12R0.57 CCCCCSCCC(OC)OC 62a_100000139399_100000210326 [0,2,0,0,0,0|0,0,2]=4 12622 B12R0.57 CCCCCSCCC(OC)OC 62a_100000210326_100000139399 [0,2,0,0,0,0|0,0,2]=4 12623 B12R0.57 CCCCNCCCC(OC)OC 2230a_100000102301_100000069011 [0,2,0,0,0,0|0,0,2]=4 12624 B12R0.57 CCCCNCCCC(OC)OC 7a_106832991798_100000069011 [0,2,0,0,0,0|0,0,2]=4 12625 B12R0.57 CCCCOCCCC(OC)OC 34a_100000210227_100000069011 [0,2,0,0,0,0|0,0,2]=4 12626 B12R0.57 CCCCOCCCC(OC)OC 7a_100000210227_100000069011 [0,2,0,0,0,0|0,0,2]=4 12627 B12R0.57 CCCCSCCCC(OC)OC 62a_100000069011_100000210210 [0,2,0,0,0,0|0,0,2]=4 12628 B12R0.57 CCCCSCCCC(OC)OC 62a_100000210211_100000069011 [0,2,0,0,0,0|0,0,2]=4 12629 B12R0.57 CCCOCCCCN(CC)N=O 34a_200000035056_100000210303 [0,2,0,0,0,0|2,0,0]=4 12630 B12R0.102 C#CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000753159 [0,2,0,0,0,0|0,0,2]=4 12631 B12R0.102 C#CCCC(=O)CCCC(=O)OC 1458a_100000692101_100011218270 [0,2,0,0,0,0|0,0,2]=4 12632 B12R0.102 C#CCCN(C)CCCC(=O)OC 269982a_100000739225_100000730999 [0,2,0,0,0,0|0,0,2]=4 12633 B12R0.102 C/C=C/CC(=O)CCCC(=O)OC 1458a_100000239890_100102629194 [0,2,0,0,0,0|0,0,2]=4 12634 B12R0.102 C/C=C/CN(C)CCCC(=O)OC 269982a_100000739225_100102629194 [0,2,0,0,0,0|0,0,2]=4 12635 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000754431 [0,2,0,0,0,0|0,0,2]=4 12636 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000749702_100011218270 [0,2,0,0,0,0|0,0,2]=4 12637 B12R0.102 C=CCCC(C)OCCC(=O)OC 34a_100000765329_100000742370 [0,2,0,0,0,0|0,0,2]=4 12638 B12R0.102 C=CCCC(C)OCCC(=O)OC 7a_100000765329_100000204255 [0,2,0,0,0,0|0,0,2]=4 12639 B12R0.102 C=CCCN(C)CCCC(=O)OC 2230a_100020639649_100011218270 [0,2,0,0,0,0|0,0,2]=4 12640 B12R0.102 C=CCCN(C)CCCC(=O)OC 269982a_100000739225_100000754431 [0,2,0,0,0,0|0,0,2]=4 12641 B12R0.102 C=CCCN(C)CCCC(=O)OC 269982a_100020639649_100011218270 [0,2,0,0,0,0|0,0,2]=4 12642 B12R0.102 CC#CCC(=O)CCCC(=O)OC 1458a_100000239890_100000748600 [0,2,0,0,0,0|0,0,2]=4 12643 B12R0.102 CC=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000070051 [0,2,0,0,0,0|0,0,2]=4 12644 B12R0.102 CC=CCC(=O)CCCC(=O)OC 1458a_100121576822_100011218270 [0,2,0,0,0,0|0,0,2]=4 12645 B12R0.102 CCC#CC(=O)CCCC(=O)OC 1458a_100011827653_100011218270 [0,2,0,0,0,0|0,0,2]=4 12646 B12R0.102 CCC#CC(C)OCCC(=O)OC 34a_100000033903_100000742370 [0,2,0,0,0,0|0,0,2]=4 12647 B12R0.102 CCC#CC(C)OCCC(=O)OC 7a_100000033903_100000204255 [0,2,0,0,0,0|0,0,2]=4 12648 B12R0.102 CCC=CC(=O)CCCC(=O)OC 1458a_100000212282_100011218270 [0,2,0,0,0,0|0,0,2]=4 12649 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [0,2,0,0,0,0|1,0,0]=3 12650 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,2,0,0,0,0|0,0,0]=2 12651 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,2,0,0,0,0|0,0,0]=2 12652 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [0,2,0,0,0,0|1,0,1]=4 12653 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [0,2,0,0,0,0|0,0,1]=3 12654 B12R0.102 CCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 12655 B12R0.102 CCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 12656 B12R0.102 CCCCC(=O)NCCC(=O)NC 527a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 12657 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [0,2,0,0,0,0|0,0,1]=3 12658 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,2,0,0,0,0|1,0,0]=3 12659 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [0,2,0,0,0,0|1,0,0]=3 12660 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [0,2,0,0,0,0|1,0,0]=3 12661 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,2,0,0,0,0|0,0,0]=2 12662 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,2,0,0,0,0|0,0,0]=2 12663 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000126638_100000737683 [0,2,0,0,0,0|1,0,0]=3 12664 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000738227_200011215066 [0,2,0,0,0,0|1,0,0]=3 12665 B12R0.102 CCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210087 [0,2,0,0,0,0|1,0,0]=3 12666 B12R0.102 CCCCC(C)NCCC(=O)NC 34a_100000738227_200011215066 [0,2,0,0,0,0|1,0,0]=3 12667 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [0,2,0,0,0,0|0,0,0]=2 12668 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000687866_100012179268 [0,2,0,0,0,0|1,0,0]=3 12669 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000754576_200011215066 [0,2,0,0,0,0|1,0,0]=3 12670 B12R0.102 CCCCC(C)OCCC(=O)NC 7a_100000687866_100000737683 [0,2,0,0,0,0|1,0,0]=3 12671 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,2,0,0,0,0|0,0,0]=2 12672 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,2,0,0,0,0|0,0,0]=2 12673 B12R0.102 CCCCC(C)OCCC(C)OC 7a_100000764861_200011215066 [0,2,0,0,0,0|1,0,1]=4 12674 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_100000737683_200011215066 [0,2,0,0,0,0|1,0,0]=3 12675 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_200011215066_100000737683 [0,2,0,0,0,0|1,0,0]=3 12676 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [0,2,0,0,0,0|0,0,0]=2 12677 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [0,2,0,0,0,0|0,0,0]=2 12678 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [0,2,0,0,0,0|1,0,0]=3 12679 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 2230a_100000207549_100000742655 [0,2,0,0,0,0|0,0,2]=4 12680 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 269982a_100000207549_100000742655 [0,2,0,0,0,0|0,0,2]=4 12681 B12R0.102 CCCCN(C)CCCC(=O)NC 2230a_100000207549_100000741757 [0,2,0,0,0,0|1,0,0]=3 12682 B12R0.102 CCCCN(C)CCCC(=O)NC 269982a_100000207549_100000741757 [0,2,0,0,0,0|1,0,0]=3 12683 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,2,0,0,0,0|0,0,0]=2 12684 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,2,0,0,0,0|0,0,0]=2 12685 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,2,0,0,0,0|0,0,0]=2 12686 B12R0.102 CCCCN(C)CCNC(=O)CC 1626a_200000754967_100000210414 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.102 CCCCN(C)CCNC(=O)CC 240690a_200000754967_100000210414 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.102 CCCCN(C)CCNC(=O)CC 527a_200000754967_100000210414 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_100102657272_200000754967 [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_200000754967_106832991635 [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_100102657272_200000754967 [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_200000754967_100102657272 [0,2,0,0,0,0|2,0,0]=4 12693 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_106832991638_200000754967 [0,2,0,0,0,0|2,0,0]=4 12694 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_200000754967_100102657272 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.102 CCCCN(C)CCOC(=O)NC 269982a_100000207549_200011997002 [0,2,0,0,0,0|2,0,0]=4 12696 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|1,0,0]=3 12697 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|0,0,0]=2 12698 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [0,2,0,0,0,0|1,0,1]=4 12699 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [0,2,0,0,0,0|1,0,1]=4 12700 B12R0.102 CCCNC(=O)CCCC(=O)NC 11a_106832991635_100000199544 [0,2,0,0,0,0|1,0,1]=4 12701 B12R0.102 CCCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 12702 B12R0.102 CCCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 12703 B12R0.102 CCCNC(=O)CCCC(=O)NC 527a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 12704 B12R0.102 CCCNC(=O)CCCC(=O)OC 11a_100020643023_100000239890 [0,2,0,0,0,0|0,0,1]=3 12705 B12R0.102 CCCNC(=O)CCCC(=O)OC 1626a_100020643023_100000239890 [0,2,0,0,0,0|0,0,1]=3 12706 B12R0.102 CCCNC(=O)CCCC(=O)OC 240690a_100020643023_100000239890 [0,2,0,0,0,0|0,0,1]=3 12707 B12R0.102 CCCNC(=O)CCCC(=O)OC 527a_100020643023_100000239890 [0,2,0,0,0,0|0,0,1]=3 12708 B12R0.102 CCCNC(=O)CNCC(=O)OC 2230a_100000174927_100000747449 [0,2,0,0,0,0|1,0,1]=4 12709 B12R0.102 CCCNC(=O)CSCC(=O)OC 11a_100020643023_100000191316 [0,2,0,0,0,0|1,0,1]=4 12710 B12R0.102 CCCNC(=O)CSCC(=O)OC 1626a_100020643023_100000191316 [0,2,0,0,0,0|1,0,1]=4 12711 B12R0.102 CCCNC(=O)CSCC(=O)OC 240690a_100020643023_100000191316 [0,2,0,0,0,0|1,0,1]=4 12712 B12R0.102 CCCNC(=O)CSCC(=O)OC 62a_100000183358_100000747449 [0,2,0,0,0,0|1,0,1]=4 12713 B12R0.102 CCCNC(=O)CSCC(=O)OC 62a_100000747449_100000183358 [0,2,0,0,0,0|1,0,1]=4 12714 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_100000747449_200011215008 [0,2,0,0,0,0|1,0,1]=4 12715 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_200011215008_100000747449 [0,2,0,0,0,0|1,0,1]=4 12716 B12R0.102 CCCOC(C)CNCC(=O)NC 2230a_100015185124_100000183359 [0,2,0,0,0,0|2,0,0]=4 12717 B12R0.102 CCCOC(C)CNCC(=O)NC 34a_100015185124_100000183359 [0,2,0,0,0,0|2,0,0]=4 12718 B12R0.102 CCCOC(C)CNCC(=O)OC 2230a_100015185124_100000747449 [0,2,0,0,0,0|1,0,0]=3 12719 B12R0.102 CCCOC(C)CNCC(=O)OC 34a_100015185124_100000747449 [0,2,0,0,0,0|1,0,0]=3 12720 B12R0.102 CCNCC(=O)NCCC(=O)OC 2230a_100015525214_100000230212 [0,2,0,0,0,0|1,0,1]=4 12721 B12R0.102 CCNN=C(C)CCCC(=O)OC 4a_100000756455_100000015542 [0,2,0,0,0,0|1,0,1]=4 12722 B12R0.102 CCNNC(=O)CCCC(=O)OC 22a_100000756455_100000239890 [0,2,0,0,0,0|1,0,1]=4 12723 B12R0.102 CCOCC(=O)CCCC(=O)NC 1458a_100000211967_100000741757 [0,2,0,0,0,0|1,0,1]=4 12724 B12R0.102 CCOCC(=O)CCCC(=O)OC 1458a_100000211967_100011218270 [0,2,0,0,0,0|0,0,1]=3 12725 B12R0.102 CCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000211967 [0,2,0,0,0,0|1,0,1]=4 12726 B12R0.102 CCOCC(=O)NCCC(=O)OC 34a_100121572206_100000230212 [0,2,0,0,0,0|1,0,1]=4 12727 B12R0.102 CCOCC(C)OCCC(=O)NC 34a_100000718985_100012179268 [0,2,0,0,0,0|2,0,0]=4 12728 B12R0.102 CCOCC(C)OCCC(=O)NC 7a_100000718985_100000737683 [0,2,0,0,0,0|2,0,0]=4 12729 B12R0.102 CCOCC(C)OCCC(=O)OC 34a_100000718985_100000742370 [0,2,0,0,0,0|1,0,0]=3 12730 B12R0.102 CCOCC(C)OCCC(=O)OC 7a_100000718985_100000204255 [0,2,0,0,0,0|1,0,0]=3 12731 B12R0.102 CCOCC(O)CNCC(=O)NC 2230a_102515437182_100000183359 [0,2,0,0,0,0|2,0,0]=4 12732 B12R0.102 CCOCC(O)CNCC(=O)NC 34a_102515437182_100000183359 [0,2,0,0,0,0|2,0,0]=4 12733 B12R0.102 CCOCC(O)CNCC(=O)OC 2230a_102515437182_100000747449 [0,2,0,0,0,0|1,0,0]=3 12734 B12R0.102 CCOCC(O)CNCC(=O)OC 34a_102515437182_100000747449 [0,2,0,0,0,0|1,0,0]=3 12735 B12R0.102 CCOCN(C)CCCC(=O)OC 269982a_100000739225_100000739092 [0,2,0,0,0,0|1,0,0]=3 12736 B12R0.102 CCSCC(=O)CCCC(=O)NC 1458a_100000230394_100000741757 [0,2,0,0,0,0|1,0,1]=4 12737 B12R0.102 CCSCC(=O)CCCC(=O)OC 1458a_100000230394_100011218270 [0,2,0,0,0,0|0,0,1]=3 12738 B12R0.102 CCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000230394 [0,2,0,0,0,0|1,0,1]=4 12739 B12R0.102 CCSCC(=O)NCCC(=O)OC 62a_100000210202_100000230212 [0,2,0,0,0,0|1,0,1]=4 12740 B12R0.102 CCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210202 [0,2,0,0,0,0|1,0,1]=4 12741 B12R0.102 CCSCC(C)NCCC(=O)NC 270004a_100000738227_200011216171 [0,2,0,0,0,0|2,0,0]=4 12742 B12R0.102 CNC(=O)CCCC(=O)CCOC 1458a_100000749529_100000741757 [0,2,0,0,0,0|1,0,1]=4 12743 B12R0.102 CNC(=O)CCCC(=O)CCSC 1458a_100000174002_100000741757 [0,2,0,0,0,0|1,0,1]=4 12744 B12R0.102 CNC(=O)CCCN(C)CCCO 2230a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 12745 B12R0.102 CNC(=O)CCCN(C)CCCO 269982a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 12746 B12R0.102 CNC(=O)CCCN(C)CCOC 2230a_100000743101_100000741757 [0,2,0,0,0,0|2,0,0]=4 12747 B12R0.102 CNC(=O)CCCN(C)CCOC 269982a_100000743101_100000741757 [0,2,0,0,0,0|2,0,0]=4 12748 B12R0.102 CNC(=O)CCCN(C)CCSC 2230a_100000686725_100000741757 [0,2,0,0,0,0|2,0,0]=4 12749 B12R0.102 CNC(=O)CCCN(C)CCSC 269982a_100000686725_100000741757 [0,2,0,0,0,0|2,0,0]=4 12750 B12R0.102 CNC(=O)CCNC(C)CCOC 270004a_100000738227_100000742357 [0,2,0,0,0,0|2,0,0]=4 12751 B12R0.102 CNC(=O)CCNC(C)CCSC 270004a_100000738227_100011217047 [0,2,0,0,0,0|2,0,0]=4 12752 B12R0.102 CNC(=O)CCOC(C)CCCCl 34a_200000718107_100012179268 [0,2,0,0,0,0|2,0,0]=4 12753 B12R0.102 CNC(=O)CCOC(C)CCCCl 7a_200000718107_100000737683 [0,2,0,0,0,0|2,0,0]=4 12754 B12R0.102 CNC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 12755 B12R0.102 CNC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 12756 B12R0.102 CNC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000183359 [0,2,0,0,0,0|2,0,0]=4 12757 B12R0.102 COC(=O)CCCC(=O)CCC#N 1458a_100000239890_100011215226 [0,2,0,0,0,0|0,0,2]=4 12758 B12R0.102 COC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011218270 [0,2,0,0,0,0|0,0,2]=4 12759 B12R0.102 COC(=O)CCCC(=O)CCCF 1458a_100000239890_100011934791 [0,2,0,0,0,0|0,0,1]=3 12760 B12R0.102 COC(=O)CCCC(=O)CCCO 1458a_100000239890_100011215043 [0,2,0,0,0,0|0,0,1]=3 12761 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000174002_100011218270 [0,2,0,0,0,0|0,0,1]=3 12762 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000239890_100000751147 [0,2,0,0,0,0|0,0,1]=3 12763 B12R0.102 COC(=O)CCCC(=O)NCCF 11a_100000724931_100000239890 [0,2,0,0,0,0|1,0,1]=4 12764 B12R0.102 COC(=O)CCCC(=O)NCCF 1626a_100000724931_100000239890 [0,2,0,0,0,0|1,0,1]=4 12765 B12R0.102 COC(=O)CCCC(=O)NCCF 240690a_100000724931_100000239890 [0,2,0,0,0,0|1,0,1]=4 12766 B12R0.102 COC(=O)CCCC(=O)NCCF 527a_100000724931_100000239890 [0,2,0,0,0,0|1,0,1]=4 12767 B12R0.102 COC(=O)CCCC(=O)NCCO 240690a_100000210304_100000239890 [0,2,0,0,0,0|1,0,1]=4 12768 B12R0.102 COC(=O)CCCC(=O)NCCO 527a_100000210304_100000239890 [0,2,0,0,0,0|1,0,1]=4 12769 B12R0.102 COC(=O)CCCN(C)CCC#N 2230a_100000184479_100011218270 [0,2,0,0,0,0|1,0,1]=4 12770 B12R0.102 COC(=O)CCCN(C)CCC#N 269982a_100000739225_100011215226 [0,2,0,0,0,0|1,0,1]=4 12771 B12R0.102 COC(=O)CCCN(C)CCCF 269982a_100000739225_100011934791 [0,2,0,0,0,0|1,0,0]=3 12772 B12R0.102 COC(=O)CCCN(C)CCCO 2230a_100000213112_100011218270 [0,2,0,0,0,0|1,0,0]=3 12773 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000213112_100011218270 [0,2,0,0,0,0|1,0,0]=3 12774 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000739225_100011215043 [0,2,0,0,0,0|1,0,0]=3 12775 B12R0.102 COC(=O)CCCN(C)CCSC 2230a_100000686725_100011218270 [0,2,0,0,0,0|1,0,0]=3 12776 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000686725_100011218270 [0,2,0,0,0,0|1,0,0]=3 12777 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000739225_100000212216 [0,2,0,0,0,0|1,0,0]=3 12778 B12R0.102 COC(=O)CCNC(=O)CCSC 188690a_100000683876_100000174002 [0,2,0,0,0,0|1,0,1]=4 12779 B12R0.102 COC(=O)CCOC(C)CCCCl 34a_200000718107_100000742370 [0,2,0,0,0,0|1,0,0]=3 12780 B12R0.102 COC(=O)CCOC(C)CCCCl 7a_200000718107_100000204255 [0,2,0,0,0,0|1,0,0]=3 12781 B12R0.102 COC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747449 [0,2,0,0,0,0|1,0,0]=3 12782 B12R0.102 COC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000747449 [0,2,0,0,0,0|1,0,0]=3 12783 B12R0.102 COC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000747449 [0,2,0,0,0,0|1,0,0]=3 12784 B12R0.102 COC(=O)CSCC(=O)CCCF 1458a_100000191316_100011934791 [0,2,0,0,0,0|1,0,1]=4 12785 B12R0.102 COC(=O)CSCC(=O)CCCO 1458a_100000191316_100011215043 [0,2,0,0,0,0|1,0,1]=4 12786 B12R0.102 COC(=O)CSCC(=O)CCSC 1458a_100000191316_100000751147 [0,2,0,0,0,0|1,0,1]=4 12787 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000233755 [0,2,0,0,0,0|0,0,1]=3 12788 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000749529_100011218270 [0,2,0,0,0,0|0,0,1]=3 12789 B12R0.102 COCCC(=O)CSCC(=O)OC 1458a_100000191316_100000233755 [0,2,0,0,0,0|1,0,1]=4 12790 B12R0.102 COCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749529 [0,2,0,0,0,0|1,0,1]=4 12791 B12R0.102 COCCN(C)CCCC(=O)OC 2230a_100000743101_100011218270 [0,2,0,0,0,0|1,0,0]=3 12792 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000739225_100000233755 [0,2,0,0,0,0|1,0,0]=3 12793 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000743101_100011218270 [0,2,0,0,0,0|1,0,0]=3 12794 B12R0.102 COCO[C@H](C)COCC(=O)OC 34a_100016172286_100000747449 [0,2,0,0,0,0|2,0,0]=4 12795 B12R0.102 COCO[C@H](C)COCC(=O)OC 7a_100016172286_100000747449 [0,2,0,0,0,0|2,0,0]=4 12796 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000211351_100010269958 [0,2,0,0,0,0|0,0,2]=4 12797 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000696528_100000747449 [0,2,0,0,0,0|0,0,2]=4 12798 B12R0.113 C#CCCCCN(C)CC(=O)OC 2230a_100000198492_100010269958 [0,2,0,0,0,0|0,0,2]=4 12799 B12R0.113 C#CCCCNC(C)CC(=O)OC 34a_100000718082_100009817358 [0,2,0,0,0,0|0,0,2]=4 12800 B12R0.113 C#CCCCOC(C)CC(=O)OC 34a_100000215630_100009817358 [0,2,0,0,0,0|0,0,2]=4 12801 B12R0.113 C#CCCCOC(C)CC(=O)OC 7a_100000215630_100009817358 [0,2,0,0,0,0|0,0,2]=4 12802 B12R0.113 C#CCCCSC(C)CC(=O)OC 62a_100009817358_100011215417 [0,2,0,0,0,0|0,0,2]=4 12803 B12R0.113 C#CCCCSC(C)CC(=O)OC 62a_100011215417_100009817358 [0,2,0,0,0,0|0,0,2]=4 12804 B12R0.113 C#CCCNC[C@H](O)CC(=O)OC 34a_100000755551_100000754131 [0,2,0,0,0,0|0,0,2]=4 12805 B12R0.113 C#CCCOC[C@H](O)CC(=O)OC 34a_100011215631_100000754131 [0,2,0,0,0,0|0,0,2]=4 12806 B12R0.113 C#CCCSC[C@H](O)CC(=O)OC 62a_100000688953_100000754131 [0,2,0,0,0,0|0,0,2]=4 12807 B12R0.113 C#CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000688953 [0,2,0,0,0,0|0,0,2]=4 12808 B12R0.113 C/C=C/CCOC(C)CC(=O)OC 34a_100016278192_100009817358 [0,2,0,0,0,0|0,0,2]=4 12809 B12R0.113 C/C=C/COC[C@H](O)CC(=O)OC 34a_100016270725_100000754131 [0,2,0,0,0,0|0,0,2]=4 12810 B12R0.113 C/C=C/CSC[C@H](O)CC(=O)OC 62a_100000754131_100102629194 [0,2,0,0,0,0|0,0,2]=4 12811 B12R0.113 C/C=C/CSC[C@H](O)CC(=O)OC 62a_100102629194_100000754131 [0,2,0,0,0,0|0,0,2]=4 12812 B12R0.113 C=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000185746 [0,2,0,0,0,0|1,0,1]=4 12813 B12R0.113 C=CC(=O)NC(C)CCCCCC 240690a_100000210919_200121576911 [0,2,0,0,0,0|1,0,1]=4 12814 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215482 [0,2,0,0,0,0|0,0,2]=4 12815 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100011215552_100000747449 [0,2,0,0,0,0|0,0,2]=4 12816 B12R0.113 C=CCCCCN(C)CC(=O)OC 2230a_100000198492_100011215482 [0,2,0,0,0,0|0,0,2]=4 12817 B12R0.113 C=CCCCCN(C)CC(=O)OC 2230a_100012000471_100000747449 [0,2,0,0,0,0|0,0,2]=4 12818 B12R0.113 C=CCCCCN(C)CC(=O)OC 269982a_100012000471_100000747449 [0,2,0,0,0,0|0,0,2]=4 12819 B12R0.113 C=CCCCNC(C)CC(=O)OC 2230a_100000700776_100009817358 [0,2,0,0,0,0|0,0,2]=4 12820 B12R0.113 C=CCCCNC(C)CC(=O)OC 34a_100000700776_100009817358 [0,2,0,0,0,0|0,0,2]=4 12821 B12R0.113 C=CCCCOC(C)CC(=O)OC 34a_100000758997_100009817358 [0,2,0,0,0,0|0,0,2]=4 12822 B12R0.113 C=CCCCOC(C)CC(=O)OC 7a_100000758997_100009817358 [0,2,0,0,0,0|0,0,2]=4 12823 B12R0.113 C=CCCCSC(C)CC(=O)OC 62a_100009817358_100000757094 [0,2,0,0,0,0|0,0,2]=4 12824 B12R0.113 C=CCCCSC(C)CC(=O)OC 62a_100011713584_100009817358 [0,2,0,0,0,0|0,0,2]=4 12825 B12R0.113 C=CCCOC[C@H](O)CC(=O)OC 34a_100011205117_100000754131 [0,2,0,0,0,0|0,0,2]=4 12826 B12R0.113 C=CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000754431 [0,2,0,0,0,0|0,0,2]=4 12827 B12R0.113 C=CCCSC[C@H](O)CC(=O)OC 62a_100000754431_100000754131 [0,2,0,0,0,0|0,0,2]=4 12828 B12R0.113 CC#CCCOC(C)CC(=O)OC 34a_100000750427_100009817358 [0,2,0,0,0,0|0,0,2]=4 12829 B12R0.113 CC#CCNC[C@H](O)CC(=O)OC 34a_100000685387_100000754131 [0,2,0,0,0,0|0,0,2]=4 12830 B12R0.113 CC#CCOC[C@H](O)CC(=O)OC 34a_100000761923_100000754131 [0,2,0,0,0,0|0,0,2]=4 12831 B12R0.113 CC#CCSC[C@H](O)CC(=O)OC 62a_100000748600_100000754131 [0,2,0,0,0,0|0,0,2]=4 12832 B12R0.113 CC#CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000748600 [0,2,0,0,0,0|0,0,2]=4 12833 B12R0.113 CC/C=C\CCC(=O)CC(=O)OC 1458a_100000211351_100015370543 [0,2,0,0,0,0|0,0,2]=4 12834 B12R0.113 CC/C=C\CCN(C)CC(=O)OC 2230a_100000198492_100015370543 [0,2,0,0,0,0|0,0,2]=4 12835 B12R0.113 CC/C=C\COC(C)CC(=O)OC 34a_100016268518_100009817358 [0,2,0,0,0,0|0,0,2]=4 12836 B12R0.113 CC/C=C\CSC(C)CC(=O)OC 62a_100009817358_100103147603 [0,2,0,0,0,0|0,0,2]=4 12837 B12R0.113 CC/C=C\CSC(C)CC(=O)OC 62a_100103147603_100009817358 [0,2,0,0,0,0|0,0,2]=4 12838 B12R0.113 CC=CCSC[C@H](O)CC(=O)OC 62a_100000070051_100000754131 [0,2,0,0,0,0|0,0,2]=4 12839 B12R0.113 CC=CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000070051 [0,2,0,0,0,0|0,0,2]=4 12840 B12R0.113 CCC#CCOC(C)CC(=O)OC 34a_100000032950_100009817358 [0,2,0,0,0,0|0,0,2]=4 12841 B12R0.113 CCC#CCSC(C)CC(=O)OC 62a_100009813939_100009817358 [0,2,0,0,0,0|0,0,2]=4 12842 B12R0.113 CCC#CCSC(C)CC(=O)OC 62a_100009817358_100009813939 [0,2,0,0,0,0|0,0,2]=4 12843 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,2,0,0,0,0|1,0,1]=4 12844 B12R0.113 CCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747405 [0,2,0,0,0,0|2,0,0]=4 12845 B12R0.113 CCC/C=C/CC(=O)CC(=O)OC 1458a_200016266809_100000747449 [0,2,0,0,0,0|0,0,2]=4 12846 B12R0.113 CCCCC=CC(=O)CC(=O)OC 1458a_100016266645_100000747449 [0,2,0,0,0,0|0,0,2]=4 12847 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|1,0,0]=3 12848 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|1,0,0]=3 12849 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|0,0,0]=2 12850 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|0,0,0]=2 12851 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,2,0,0,0,0|1,0,0]=3 12852 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,2,0,0,0,0|1,0,0]=3 12853 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,2,0,0,0,0|1,0,0]=3 12854 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,2,0,0,0,0|1,0,0]=3 12855 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,2,0,0,0,0|2,0,0]=4 12856 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,2,0,0,0,0|2,0,0]=4 12857 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,2,0,0,0,0|1,0,0]=3 12858 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,2,0,0,0,0|1,0,0]=3 12859 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,2,0,0,0,0|1,0,0]=3 12860 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,2,0,0,0,0|1,0,0]=3 12861 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,2,0,0,0,0|1,0,0]=3 12862 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,2,0,0,0,0|1,0,0]=3 12863 B12R0.113 CCCCCCC(C)SC(C)OC 62a_100009879195_100011215978 [0,2,0,0,0,0|1,0,1]=4 12864 B12R0.113 CCCCCCC(C)SC(C)OC 62a_100011215978_100009879195 [0,2,0,0,0,0|1,0,1]=4 12865 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,2,0,0,0,0|1,0,0]=3 12866 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [0,2,0,0,0,0|1,0,0]=3 12867 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [0,2,0,0,0,0|1,0,0]=3 12868 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [0,2,0,0,0,0|1,0,0]=3 12869 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,2,0,0,0,0|0,0,0]=2 12870 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,2,0,0,0,0|0,0,0]=2 12871 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,2,0,0,0,0|0,0,0]=2 12872 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,2,0,0,0,0|1,0,1]=4 12873 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [0,2,0,0,0,0|0,0,1]=3 12874 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,2,0,0,0,0|0,0,0]=2 12875 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,2,0,0,0,0|0,0,0]=2 12876 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,2,0,0,0,0|0,0,0]=2 12877 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,2,0,0,0,0|0,0,0]=2 12878 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,2,0,0,0,0|0,0,0]=2 12879 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [0,2,0,0,0,0|0,0,0]=2 12880 B12R0.113 CCCCNN=C(C)CC(=O)OC 4a_100025702795_100000210079 [0,2,0,0,0,0|1,0,1]=4 12881 B12R0.113 CCCCNNC(=O)CC(=O)OC 22a_100025702795_100000211351 [0,2,0,0,0,0|1,0,1]=4 12882 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,2,0,0,0,0|1,0,1]=4 12883 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [0,2,0,0,0,0|1,0,1]=4 12884 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [0,2,0,0,0,0|0,0,1]=3 12885 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [0,2,0,0,0,0|0,0,1]=3 12886 B12R0.113 CCCCOCN(C)CC(=O)NC 2230a_100000189611_100011995733 [0,2,0,0,0,0|2,0,0]=4 12887 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [0,2,0,0,0,0|1,0,0]=3 12888 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,2,0,0,0,0|0,0,0]=2 12889 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,2,0,0,0,0|0,0,0]=2 12890 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,2,0,0,0,0|1,0,1]=4 12891 B12R0.113 CCCCSCC(=O)CC(=O)NC 1458a_100000191162_100000183359 [0,2,0,0,0,0|1,0,1]=4 12892 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [0,2,0,0,0,0|0,0,1]=3 12893 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [0,2,0,0,0,0|0,0,1]=3 12894 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [0,2,0,0,0,0|0,0,1]=3 12895 B12R0.113 CCCCSCC(=O)NC(=O)OC 62a_100000210211_100000010850 [0,2,0,0,0,0|1,0,1]=4 12896 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [0,2,0,0,0,0|0,0,0]=2 12897 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [0,2,0,0,0,0|0,0,0]=2 12898 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [0,2,0,0,0,0|0,0,1]=3 12899 B12R0.113 CCCOCCN(C)CC(=O)NC 2230a_100000189611_100011215938 [0,2,0,0,0,0|2,0,0]=4 12900 B12R0.113 CCCOCCN(C)CC(=O)OC 2230a_100000198492_100011215938 [0,2,0,0,0,0|1,0,0]=3 12901 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [0,2,0,0,0,0|0,0,1]=3 12902 B12R0.113 CCOCCCN(C)CC(=O)NC 2230a_100000189611_100012232248 [0,2,0,0,0,0|2,0,0]=4 12903 B12R0.113 CCOCCCN(C)CC(=O)OC 2230a_100000198492_100012232248 [0,2,0,0,0,0|1,0,0]=3 12904 B12R0.113 CCOCCNC(=O)CC(=O)OC 240690a_100011200944_100000211351 [0,2,0,0,0,0|1,0,1]=4 12905 B12R0.113 CCOCCNC(C)CC(=O)OC 2230a_102516460346_100009817358 [0,2,0,0,0,0|1,0,0]=3 12906 B12R0.113 CCOCCNC(C)CC(=O)OC 34a_102516460346_100009817358 [0,2,0,0,0,0|1,0,0]=3 12907 B12R0.113 CCOCCOC(C)CC(=O)OC 34a_100000210136_100009817358 [0,2,0,0,0,0|1,0,0]=3 12908 B12R0.113 CCOCCOC(C)CC(=O)OC 7a_100000210136_100009817358 [0,2,0,0,0,0|1,0,0]=3 12909 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100000210147_100009817358 [0,2,0,0,0,0|1,0,0]=3 12910 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100009817358_100011215890 [0,2,0,0,0,0|1,0,0]=3 12911 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000210525_100000739092 [0,2,0,0,0,0|1,0,1]=4 12912 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000739092_100000210525 [0,2,0,0,0,0|1,0,1]=4 12913 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000739092_100000754131 [0,2,0,0,0,0|1,0,0]=3 12914 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000754131_100000739092 [0,2,0,0,0,0|1,0,0]=3 12915 B12R0.113 CCSCCNC(=O)CC(=O)OC 240690a_100000106463_100000211351 [0,2,0,0,0,0|1,0,1]=4 12916 B12R0.113 CCSCCNC(C)CC(=O)OC 2230a_100000106463_100009817358 [0,2,0,0,0,0|1,0,0]=3 12917 B12R0.113 CCSCCOC(C)CC(=O)OC 34a_100000212035_100009817358 [0,2,0,0,0,0|1,0,0]=3 12918 B12R0.113 CCSCCOC(C)CC(=O)OC 7a_100000212035_100009817358 [0,2,0,0,0,0|1,0,0]=3 12919 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100000757381_100009817358 [0,2,0,0,0,0|1,0,0]=3 12920 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100009817358_100000757381 [0,2,0,0,0,0|1,0,0]=3 12921 B12R0.113 CNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183359 [0,2,0,0,0,0|1,0,1]=4 12922 B12R0.113 CNC(=O)CN(C)CCCCCF 2230a_100000189611_100000729378 [0,2,0,0,0,0|2,0,0]=4 12923 B12R0.113 CNC(=O)CN(C)CCCCCO 2230a_100000189611_100000746330 [0,2,0,0,0,0|2,0,0]=4 12924 B12R0.113 CNC(=O)CN(C)CCCCCO 2230a_100000722520_100000183359 [0,2,0,0,0,0|2,0,0]=4 12925 B12R0.113 CNC(=O)CN(C)CCCCCO 269982a_100000722520_100000183359 [0,2,0,0,0,0|2,0,0]=4 12926 B12R0.113 CNC(=O)CN(C)CCCCOC 2230a_100000189611_100000730899 [0,2,0,0,0,0|2,0,0]=4 12927 B12R0.113 CNCCCOC(C)CC(=O)OC 34a_100000213112_100009817358 [0,2,0,0,0,0|1,0,0]=3 12928 B12R0.113 COC(=O)CC(=O)CCCCC#N 1458a_100000211351_100000211819 [0,2,0,0,0,0|0,0,2]=4 12929 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [0,2,0,0,0,0|0,0,1]=3 12930 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [0,2,0,0,0,0|0,0,1]=3 12931 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [0,2,0,0,0,0|0,0,1]=3 12932 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100000211351_100011215305 [0,2,0,0,0,0|1,0,1]=4 12933 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100011229844_100000747449 [0,2,0,0,0,0|1,0,1]=4 12934 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100000210525_100011934791 [0,2,0,0,0,0|1,0,1]=4 12935 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100011934791_100000210525 [0,2,0,0,0,0|1,0,1]=4 12936 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100000210525_100011215043 [0,2,0,0,0,0|1,0,1]=4 12937 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100011215043_100000210525 [0,2,0,0,0,0|1,0,1]=4 12938 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000210525_100000751147 [0,2,0,0,0,0|1,0,1]=4 12939 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000212216_100000210525 [0,2,0,0,0,0|1,0,1]=4 12940 B12R0.113 COC(=O)CC(=O)NCCCCO 240690a_100000750430_100000211351 [0,2,0,0,0,0|1,0,1]=4 12941 B12R0.113 COC(=O)CC(=O)NCCCSC 240690a_100000749238_100000211351 [0,2,0,0,0,0|1,0,1]=4 12942 B12R0.113 COC(=O)CC(C)NCCCCO 2230a_100000750430_100009817358 [0,2,0,0,0,0|1,0,0]=3 12943 B12R0.113 COC(=O)CC(C)NCCCCO 34a_100000750430_100009817358 [0,2,0,0,0,0|1,0,0]=3 12944 B12R0.113 COC(=O)CC(C)NCCCSC 2230a_100000749238_100009817358 [0,2,0,0,0,0|1,0,0]=3 12945 B12R0.113 COC(=O)CC(C)OCCCCBr 34a_100011216708_100009817358 [0,2,0,0,0,0|1,0,0]=3 12946 B12R0.113 COC(=O)CC(C)OCCCCCl 34a_100000210776_100009817358 [0,2,0,0,0,0|1,0,0]=3 12947 B12R0.113 COC(=O)CC(C)OCCCCCl 7a_100000210776_100009817358 [0,2,0,0,0,0|1,0,0]=3 12948 B12R0.113 COC(=O)CC(C)OCCCCF 34a_100011995726_100009817358 [0,2,0,0,0,0|1,0,0]=3 12949 B12R0.113 COC(=O)CC(C)OCCCCF 7a_100011995726_100009817358 [0,2,0,0,0,0|1,0,0]=3 12950 B12R0.113 COC(=O)CC(C)OCCCCI 34a_200012148704_100009817358 [0,2,0,0,0,0|1,0,0]=3 12951 B12R0.113 COC(=O)CC(C)OCCCCN 34a_100000750430_100009817358 [0,2,0,0,0,0|1,0,0]=3 12952 B12R0.113 COC(=O)CC(C)OCCCSC 34a_100000690336_100009817358 [0,2,0,0,0,0|1,0,0]=3 12953 B12R0.113 COC(=O)CC(C)OCCCSC 7a_100000690336_100009817358 [0,2,0,0,0,0|1,0,0]=3 12954 B12R0.113 COC(=O)CC(C)SCCCC#N 62a_100000687738_100009817358 [0,2,0,0,0,0|1,0,1]=4 12955 B12R0.113 COC(=O)CC(C)SCCCC#N 62a_100009817358_100000687738 [0,2,0,0,0,0|1,0,1]=4 12956 B12R0.113 COC(=O)CC(C)SCCCC=O 62a_100009817358_200011292268 [0,2,0,0,0,0|1,0,1]=4 12957 B12R0.113 COC(=O)CC(C)SCCCC=O 62a_200011292268_100009817358 [0,2,0,0,0,0|1,0,1]=4 12958 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100000729493_100009817358 [0,2,0,0,0,0|1,0,0]=3 12959 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100009817358_100000729493 [0,2,0,0,0,0|1,0,0]=3 12960 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100000210776_100009817358 [0,2,0,0,0,0|1,0,0]=3 12961 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100009817358_100000210776 [0,2,0,0,0,0|1,0,0]=3 12962 B12R0.113 COC(=O)CN(C)CCCCC#N 2230a_100000198492_100000211819 [0,2,0,0,0,0|1,0,1]=4 12963 B12R0.113 COC(=O)CN(C)CCCCC=O 2230a_100000198492_100000139335 [0,2,0,0,0,0|1,0,1]=4 12964 B12R0.113 COC(=O)CN(C)CCCCCF 2230a_100000198492_100000729378 [0,2,0,0,0,0|1,0,0]=3 12965 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000198492_100000746330 [0,2,0,0,0,0|1,0,0]=3 12966 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000722520_100000747449 [0,2,0,0,0,0|1,0,0]=3 12967 B12R0.113 COC(=O)CN(C)CCCCCO 269982a_100000722520_100000747449 [0,2,0,0,0,0|1,0,0]=3 12968 B12R0.113 COC(=O)CN(C)CCOCCO 2230a_100000198492_100011215305 [0,2,0,0,0,0|2,0,0]=4 12969 B12R0.113 COC(=O)CN(C)CCOCCO 2230a_100000228057_100000747449 [0,2,0,0,0,0|2,0,0]=4 12970 B12R0.113 COC(=O)CN(C)CCOCCO 269982a_100000228057_100000747449 [0,2,0,0,0,0|2,0,0]=4 12971 B12R0.113 COC(=O)C[C@@H](O)CNCCCF 34a_100015189416_100000754131 [0,2,0,0,0,0|1,0,0]=3 12972 B12R0.113 COC(=O)C[C@@H](O)COCCCBr 34a_100011217188_100000754131 [0,2,0,0,0,0|1,0,0]=3 12973 B12R0.113 COC(=O)C[C@@H](O)COCCCCl 34a_100000230001_100000754131 [0,2,0,0,0,0|1,0,0]=3 12974 B12R0.113 COC(=O)C[C@@H](O)COCCCF 34a_100000759539_100000754131 [0,2,0,0,0,0|1,0,0]=3 12975 B12R0.113 COC(=O)C[C@@H](O)COCCCN 34a_100000182051_100000754131 [0,2,0,0,0,0|1,0,0]=3 12976 B12R0.113 COC(=O)C[C@@H](O)COCCON 34a_100000700252_100000754131 [0,2,0,0,0,0|2,0,0]=4 12977 B12R0.113 COC(=O)C[C@@H](O)COCCSC 34a_100000230434_100000754131 [0,2,0,0,0,0|1,0,0]=3 12978 B12R0.113 COC(=O)C[C@@H](O)COCCSC 7a_100000230434_100000754131 [0,2,0,0,0,0|1,0,0]=3 12979 B12R0.113 COC(=O)C[C@@H](O)CSCCC#N 62a_100000754131_100011215226 [0,2,0,0,0,0|1,0,1]=4 12980 B12R0.113 COC(=O)C[C@@H](O)CSCCC#N 62a_100011215226_100000754131 [0,2,0,0,0,0|1,0,1]=4 12981 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100000754131_100011934791 [0,2,0,0,0,0|1,0,0]=3 12982 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100011934791_100000754131 [0,2,0,0,0,0|1,0,0]=3 12983 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100000754131_100011215043 [0,2,0,0,0,0|1,0,0]=3 12984 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100011215043_100000754131 [0,2,0,0,0,0|1,0,0]=3 12985 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000212216_100000754131 [0,2,0,0,0,0|1,0,0]=3 12986 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000754131_100000751147 [0,2,0,0,0,0|1,0,0]=3 12987 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [0,2,0,0,0,0|0,0,1]=3 12988 B12R0.113 COCCCCN(C)CC(=O)OC 2230a_100000198492_100000730899 [0,2,0,0,0,0|1,0,0]=3 12989 B12R0.113 COCCCNC(=O)CC(=O)OC 240690a_100150723488_100000211351 [0,2,0,0,0,0|1,0,1]=4 12990 B12R0.113 COCCCNC(C)CC(=O)OC 34a_100150723488_100009817358 [0,2,0,0,0,0|1,0,0]=3 12991 B12R0.113 COCCCOC(C)CC(=O)OC 34a_100000740835_100009817358 [0,2,0,0,0,0|1,0,0]=3 12992 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100000709357_100009817358 [0,2,0,0,0,0|1,0,0]=3 12993 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100009817358_100000709357 [0,2,0,0,0,0|1,0,0]=3 12994 B12R0.113 COCCOCC(=O)CC(=O)OC 1458a_100000211095_100000747449 [0,2,0,0,0,0|1,0,1]=4 12995 B12R0.113 COCCOCN(C)CC(=O)OC 2230a_100000198492_100000231047 [0,2,0,0,0,0|2,0,0]=4 12996 B12R0.113 COCCOC[C@H](O)CC(=O)OC 34a_100000210237_100000754131 [0,2,0,0,0,0|1,0,0]=3 12997 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000210525_100000233755 [0,2,0,0,0,0|1,0,1]=4 12998 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000233755_100000210525 [0,2,0,0,0,0|1,0,1]=4 12999 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000233755_100000754131 [0,2,0,0,0,0|1,0,0]=3 13000 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000233755 [0,2,0,0,0,0|1,0,0]=3 13001 B12R0.142 C#CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000731252 [0,2,0,0,0,0|0,0,2]=4 13002 B12R0.142 C#CCCCN(C)CCC(=O)OC 269982a_100025711912_100011215417 [0,2,0,0,0,0|0,0,2]=4 13003 B12R0.142 C=CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000757094 [0,2,0,0,0,0|0,0,2]=4 13004 B12R0.142 C=CCCCN(C)CCC(=O)OC 269982a_100025711912_100000757094 [0,2,0,0,0,0|0,0,2]=4 13005 B12R0.142 CC/C=C\CC(=O)CCC(=O)OC 1458a_100000187943_100103147603 [0,2,0,0,0,0|0,0,2]=4 13006 B12R0.142 CC/C=C\CN(C)CCC(=O)OC 269982a_100025711912_100103147603 [0,2,0,0,0,0|0,0,2]=4 13007 B12R0.142 CCC#CCC(=O)CCC(=O)OC 1458a_100000187943_100009813939 [0,2,0,0,0,0|0,0,2]=4 13008 B12R0.142 CCC#CCC(C)OCC(=O)OC 34a_200000035118_100000747449 [0,2,0,0,0,0|0,0,2]=4 13009 B12R0.142 CCC#CCC(C)OCC(=O)OC 7a_200000035118_100000747449 [0,2,0,0,0,0|0,0,2]=4 13010 B12R0.142 CCC(=O)COC(C)CCCOC 7a_200011539412_100000747405 [0,2,0,0,0,0|2,0,0]=4 13011 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,2,0,0,0,0|1,0,0]=3 13012 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,2,0,0,0,0|0,0,0]=2 13013 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [0,2,0,0,0,0|2,0,0]=4 13014 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [0,2,0,0,0,0|1,0,1]=4 13015 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [0,2,0,0,0,0|0,0,1]=3 13016 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 13017 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 13018 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 13019 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,2,0,0,0,0|0,0,1]=3 13020 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,2,0,0,0,0|1,0,0]=3 13021 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,2,0,0,0,0|2,0,0]=4 13022 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,2,0,0,0,0|1,0,0]=3 13023 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 13024 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 13025 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 13026 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [0,2,0,0,0,0|1,0,0]=3 13027 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [0,2,0,0,0,0|1,0,0]=3 13028 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [0,2,0,0,0,0|1,0,0]=3 13029 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,2,0,0,0,0|0,0,0]=2 13030 B12R0.142 CCCCCC(C)NC[C@@H](C)OC 2230a_100020591295_200011218191 [0,2,0,0,0,0|1,0,1]=4 13031 B12R0.142 CCCCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000211708 [0,2,0,0,0,0|1,0,1]=4 13032 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|1,0,0]=3 13033 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|1,0,0]=3 13034 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [0,2,0,0,0,0|1,0,0]=3 13035 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [0,2,0,0,0,0|1,0,0]=3 13036 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [0,2,0,0,0,0|1,0,0]=3 13037 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,2,0,0,0,0|0,0,0]=2 13038 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,2,0,0,0,0|0,0,0]=2 13039 B12R0.142 CCCCCC(C)OCC(C)OC 34a_100000690652_200011218191 [0,2,0,0,0,0|1,0,1]=4 13040 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,2,0,0,0,0|1,0,0]=3 13041 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,2,0,0,0,0|1,0,0]=3 13042 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [0,2,0,0,0,0|1,0,0]=3 13043 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [0,2,0,0,0,0|1,0,0]=3 13044 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,2,0,0,0,0|0,0,0]=2 13045 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,2,0,0,0,0|0,0,0]=2 13046 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,2,0,0,0,0|1,0,0]=3 13047 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [0,2,0,0,0,0|2,0,0]=4 13048 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [0,2,0,0,0,0|1,0,0]=3 13049 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [0,2,0,0,0,0|1,0,0]=3 13050 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [0,2,0,0,0,0|1,0,0]=3 13051 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [0,2,0,0,0,0|1,0,0]=3 13052 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [0,2,0,0,0,0|1,0,0]=3 13053 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,2,0,0,0,0|0,0,0]=2 13054 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,2,0,0,0,0|0,0,0]=2 13055 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,2,0,0,0,0|0,0,0]=2 13056 B12R0.142 CCCCNC(=O)CCC(=O)NC 11a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 13057 B12R0.142 CCCCNC(=O)CCC(=O)NC 1626a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 13058 B12R0.142 CCCCNC(=O)CCC(=O)NC 240690a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 13059 B12R0.142 CCCCNC(=O)CCC(=O)NC 527a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 13060 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [0,2,0,0,0,0|0,0,1]=3 13061 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [0,2,0,0,0,0|0,0,1]=3 13062 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [0,2,0,0,0,0|0,0,1]=3 13063 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [0,2,0,0,0,0|0,0,1]=3 13064 B12R0.142 CCCCNC(=O)CNC(=O)OC 11a_100000102301_100000215747 [0,2,0,0,0,0|1,0,1]=4 13065 B12R0.142 CCCCNC(=O)CNC(=O)OC 1626a_100000102301_100000215747 [0,2,0,0,0,0|1,0,1]=4 13066 B12R0.142 CCCCNC(=O)CNC(=O)OC 240690a_100000102301_100000215747 [0,2,0,0,0,0|1,0,1]=4 13067 B12R0.142 CCCCNC(=O)CNC(=O)OC 527a_100000102301_100000215747 [0,2,0,0,0,0|1,0,1]=4 13068 B12R0.142 CCCNN=C(C)CCC(=O)OC 4a_100000740057_100000756497 [0,2,0,0,0,0|1,0,1]=4 13069 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [0,2,0,0,0,0|0,0,1]=3 13070 B12R0.142 CCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000745993 [0,2,0,0,0,0|1,0,1]=4 13071 B12R0.142 CCCOCC(=O)NCC(=O)OC 34a_100000210258_100000182966 [0,2,0,0,0,0|1,0,1]=4 13072 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000210303_100000691467 [0,2,0,0,0,0|0,0,1]=3 13073 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210303 [0,2,0,0,0,0|0,0,1]=3 13074 B12R0.142 CCCSCC(=O)NCC(=O)OC 188690a_100000185156_100000217233 [0,2,0,0,0,0|1,0,1]=4 13075 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000182966_100000210303 [0,2,0,0,0,0|1,0,1]=4 13076 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000210303_100000182966 [0,2,0,0,0,0|1,0,1]=4 13077 B12R0.142 CCCSCC(C)NCC(=O)NC 270004a_100000693194_100011343953 [0,2,0,0,0,0|2,0,0]=4 13078 B12R0.142 CCOCCC(=O)CCC(=O)NC 1458a_100011309844_100011215890 [0,2,0,0,0,0|1,0,1]=4 13079 B12R0.142 CCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215890 [0,2,0,0,0,0|0,0,1]=3 13080 B12R0.142 CCOCCC(=O)CNC(=O)OC 1458a_100000215747_100011215890 [0,2,0,0,0,0|1,0,1]=4 13081 B12R0.142 CCOCCC(=O)NCC(=O)OC 188690a_100000185156_100000749530 [0,2,0,0,0,0|1,0,1]=4 13082 B12R0.142 CCOCCC(C)NCC(=O)NC 270004a_100000693194_200011216536 [0,2,0,0,0,0|2,0,0]=4 13083 B12R0.142 CCOCCN(C)CCC(=O)NC 2230a_100000750875_100011215890 [0,2,0,0,0,0|2,0,0]=4 13084 B12R0.142 CCOCCN(C)CCC(=O)NC 269982a_100000750875_100011215890 [0,2,0,0,0,0|2,0,0]=4 13085 B12R0.142 CCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215890 [0,2,0,0,0,0|1,0,0]=3 13086 B12R0.142 CCSCCC(=O)CCC(=O)NC 1458a_100011309844_100000757381 [0,2,0,0,0,0|1,0,1]=4 13087 B12R0.142 CCSCCC(=O)CCC(=O)OC 1458a_100000187943_100000757381 [0,2,0,0,0,0|0,0,1]=3 13088 B12R0.142 CCSCCC(=O)CNC(=O)OC 1458a_100000215747_100000757381 [0,2,0,0,0,0|1,0,1]=4 13089 B12R0.142 CCSCCC(=O)NCC(=O)OC 188690a_100000185156_100000230768 [0,2,0,0,0,0|1,0,1]=4 13090 B12R0.142 CCSCCN(C)CCC(=O)NC 2230a_100000750875_100000757381 [0,2,0,0,0,0|2,0,0]=4 13091 B12R0.142 CCSCCN(C)CCC(=O)NC 269982a_100000750875_100000757381 [0,2,0,0,0,0|2,0,0]=4 13092 B12R0.142 CCSCCN(C)CCC(=O)OC 269982a_100025711912_100000757381 [0,2,0,0,0,0|1,0,0]=3 13093 B12R0.142 CNC(=O)CCC(=O)CCCCF 1458a_100011309844_100000729493 [0,2,0,0,0,0|1,0,1]=4 13094 B12R0.142 CNC(=O)CCC(=O)CCCCO 1458a_100011309844_100000210776 [0,2,0,0,0,0|1,0,1]=4 13095 B12R0.142 CNC(=O)CCC(=O)CCCOC 1458a_100011309844_100000740836 [0,2,0,0,0,0|1,0,1]=4 13096 B12R0.142 CNC(=O)CCN(C)CCCCF 2230a_100000750875_100000729493 [0,2,0,0,0,0|2,0,0]=4 13097 B12R0.142 CNC(=O)CCN(C)CCCCF 269982a_100000750875_100000729493 [0,2,0,0,0,0|2,0,0]=4 13098 B12R0.142 CNC(=O)CCN(C)CCCCO 2230a_100000717598_100000737683 [0,2,0,0,0,0|2,0,0]=4 13099 B12R0.142 CNC(=O)CCN(C)CCCCO 2230a_100000750875_100000210776 [0,2,0,0,0,0|2,0,0]=4 13100 B12R0.142 CNC(=O)CCN(C)CCCCO 269982a_100000717598_100000737683 [0,2,0,0,0,0|2,0,0]=4 13101 B12R0.142 CNC(=O)CCN(C)CCCCO 269982a_100000750875_100000210776 [0,2,0,0,0,0|2,0,0]=4 13102 B12R0.142 CNC(=O)CCN(C)CCCOC 2230a_100000224831_100000737683 [0,2,0,0,0,0|2,0,0]=4 13103 B12R0.142 CNC(=O)CCN(C)CCCOC 2230a_100000750875_100000740836 [0,2,0,0,0,0|2,0,0]=4 13104 B12R0.142 CNC(=O)CCN(C)CCCOC 269982a_100000224831_100000737683 [0,2,0,0,0,0|2,0,0]=4 13105 B12R0.142 CNC(=O)CCN(C)CCCOC 269982a_100000750875_100000740836 [0,2,0,0,0,0|2,0,0]=4 13106 B12R0.142 CNC(=O)CNC(C)CCCSC 270004a_100000693194_100011399439 [0,2,0,0,0,0|2,0,0]=4 13107 B12R0.142 CNC(=O)COC(C)CCCOC 34a_200011539412_100000183359 [0,2,0,0,0,0|2,0,0]=4 13108 B12R0.142 CNC(=O)COC(C)CCCOC 7a_200011539412_100000183359 [0,2,0,0,0,0|2,0,0]=4 13109 B12R0.142 COC(=O)CCC(=O)CCCC#N 1458a_100000187943_100000211468 [0,2,0,0,0,0|0,0,2]=4 13110 B12R0.142 COC(=O)CCC(=O)CCCCF 1458a_100000187943_100000729493 [0,2,0,0,0,0|0,0,1]=3 13111 B12R0.142 COC(=O)CCC(=O)CCCCO 1458a_100000187943_100000210776 [0,2,0,0,0,0|0,0,1]=3 13112 B12R0.142 COC(=O)CCC(=O)CNCCF 34a_100000724931_100000691467 [0,2,0,0,0,0|1,0,1]=4 13113 B12R0.142 COC(=O)CCC(=O)CNCCO 2230a_100016997473_100000691467 [0,2,0,0,0,0|1,0,1]=4 13114 B12R0.142 COC(=O)CCC(=O)CNCCO 34a_100016990907_100000691467 [0,2,0,0,0,0|1,0,1]=4 13115 B12R0.142 COC(=O)CCC(=O)COCCBr 34a_100000211926_100000691467 [0,2,0,0,0,0|1,0,1]=4 13116 B12R0.142 COC(=O)CCC(=O)COCCN 34a_100000210304_100000691467 [0,2,0,0,0,0|1,0,1]=4 13117 B12R0.142 COC(=O)CCC(=O)CSCCF 62a_100000691467_100011217306 [0,2,0,0,0,0|1,0,1]=4 13118 B12R0.142 COC(=O)CCC(=O)CSCCF 62a_100011217306_100000691467 [0,2,0,0,0,0|1,0,1]=4 13119 B12R0.142 COC(=O)CCC(=O)CSCCO 62a_100000211926_100000691467 [0,2,0,0,0,0|1,0,1]=4 13120 B12R0.142 COC(=O)CCC(=O)CSCCO 62a_100000691467_100000211926 [0,2,0,0,0,0|1,0,1]=4 13121 B12R0.142 COC(=O)CCC(=O)CSCSC 62a_100000691467_100011218213 [0,2,0,0,0,0|1,0,1]=4 13122 B12R0.142 COC(=O)CCC(=O)CSCSC 62a_100011218213_100000691467 [0,2,0,0,0,0|1,0,1]=4 13123 B12R0.142 COC(=O)CCC(=O)NCCCF 11a_100015189416_100000187943 [0,2,0,0,0,0|1,0,1]=4 13124 B12R0.142 COC(=O)CCC(=O)NCCCF 1626a_100015189416_100000187943 [0,2,0,0,0,0|1,0,1]=4 13125 B12R0.142 COC(=O)CCC(=O)NCCCF 240690a_100015189416_100000187943 [0,2,0,0,0,0|1,0,1]=4 13126 B12R0.142 COC(=O)CCC(=O)NCCCF 527a_100015189416_100000187943 [0,2,0,0,0,0|1,0,1]=4 13127 B12R0.142 COC(=O)CCC(=O)NCCCO 240690a_100000182051_100000187943 [0,2,0,0,0,0|1,0,1]=4 13128 B12R0.142 COC(=O)CCC(=O)NCCCO 527a_100000182051_100000187943 [0,2,0,0,0,0|1,0,1]=4 13129 B12R0.142 COC(=O)CCC(=O)NCCSC 11a_100020590264_100000187943 [0,2,0,0,0,0|1,0,1]=4 13130 B12R0.142 COC(=O)CCC(=O)NCCSC 1626a_100020590264_100000187943 [0,2,0,0,0,0|1,0,1]=4 13131 B12R0.142 COC(=O)CCC(=O)NCCSC 240690a_100020590264_100000187943 [0,2,0,0,0,0|1,0,1]=4 13132 B12R0.142 COC(=O)CCC(=O)NCCSC 527a_100020590264_100000187943 [0,2,0,0,0,0|1,0,1]=4 13133 B12R0.142 COC(=O)CCN(C)CCCC#N 269982a_100025711912_100000687738 [0,2,0,0,0,0|1,0,1]=4 13134 B12R0.142 COC(=O)CCN(C)CCCC=O 269982a_100025711912_200011292268 [0,2,0,0,0,0|1,0,1]=4 13135 B12R0.142 COC(=O)CCN(C)CCCCF 269982a_100025711912_100000729493 [0,2,0,0,0,0|1,0,0]=3 13136 B12R0.142 COC(=O)CCN(C)CCCCO 2230a_100000717598_100000204255 [0,2,0,0,0,0|1,0,0]=3 13137 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100000717598_100000204255 [0,2,0,0,0,0|1,0,0]=3 13138 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100025711912_100000210776 [0,2,0,0,0,0|1,0,0]=3 13139 B12R0.142 COC(=O)CNC(=O)CCCCO 188690a_100000185156_100000695505 [0,2,0,0,0,0|1,0,1]=4 13140 B12R0.142 COC(=O)CNC(=O)CCCSC 188690a_100000185156_100000173376 [0,2,0,0,0,0|1,0,1]=4 13141 B12R0.142 COC(=O)NCC(=O)CCCCF 1458a_100000215747_100000729493 [0,2,0,0,0,0|1,0,1]=4 13142 B12R0.142 COC(=O)NCC(=O)CCCCO 1458a_100000215747_100000210776 [0,2,0,0,0,0|1,0,1]=4 13143 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [0,2,0,0,0,0|0,0,1]=3 13144 B12R0.142 COCCCC(=O)CNC(=O)OC 1458a_100000215747_100000740836 [0,2,0,0,0,0|1,0,1]=4 13145 B12R0.142 COCCCC(=O)NCC(=O)OC 188690a_100000185156_100000741012 [0,2,0,0,0,0|1,0,1]=4 13146 B12R0.142 COCCCC(C)OCC(=O)OC 34a_200011539412_100000747449 [0,2,0,0,0,0|1,0,0]=3 13147 B12R0.142 COCCCC(C)OCC(=O)OC 7a_200011539412_100000747449 [0,2,0,0,0,0|1,0,0]=3 13148 B12R0.142 COCCCN(C)CCC(=O)OC 2230a_100000224831_100000204255 [0,2,0,0,0,0|1,0,0]=3 13149 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100000224831_100000204255 [0,2,0,0,0,0|1,0,0]=3 13150 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100025711912_100000740836 [0,2,0,0,0,0|1,0,0]=3 13151 B12R0.142 COCCNC(=O)CCC(=O)OC 1626a_100000209980_100000187943 [0,2,0,0,0,0|1,0,1]=4 13152 B12R0.142 COCCNC(=O)CCC(=O)OC 240690a_100000209980_100000187943 [0,2,0,0,0,0|1,0,1]=4 13153 B12R0.142 COCCNC(=O)CCC(=O)OC 527a_100000209980_100000187943 [0,2,0,0,0,0|1,0,1]=4 13154 B12R0.142 COCSCC(=O)CCC(=O)OC 62a_100000691467_100000766300 [0,2,0,0,0,0|1,0,1]=4 13155 B12R0.142 COCSCC(=O)CCC(=O)OC 62a_100000766300_100000691467 [0,2,0,0,0,0|1,0,1]=4 13156 B12R0.183 C#CC(=O)CCCCCC(=O)OC 1458a_100000211873_100009816466 [0,2,0,0,0,0|0,0,2]=4 13157 B12R0.183 C#CC(C)NCCCCC(=O)OC 2230a_100000707721_100000204269 [0,2,0,0,0,0|1,0,0]=3 13158 B12R0.183 C#CC(C)NCCCCC(=O)OC 34a_100000707721_100000204269 [0,2,0,0,0,0|1,0,0]=3 13159 B12R0.183 C#CC(C)NCCOCC(=O)OC 2230a_100000707721_100000090808 [0,2,0,0,0,0|2,0,0]=4 13160 B12R0.183 C#CC(C)NCCOCC(=O)OC 34a_100000707721_100000090808 [0,2,0,0,0,0|2,0,0]=4 13161 B12R0.183 C#CC(C)OCCCCC(=O)OC 34a_100000059025_200000035995 [0,2,0,0,0,0|1,0,0]=3 13162 B12R0.183 C#CC(C)SCCCCC(=O)OC 62a_200000035995_100000204269 [0,2,0,0,0,0|1,0,0]=3 13163 B12R0.183 C#CC(C)SCCOCC(=O)OC 62a_200000035995_100000090808 [0,2,0,0,0,0|2,0,0]=4 13164 B12R0.183 C#CC(O)CCCCCC(=O)CC 1458a_100000210414_200010408556 [0,2,0,0,0,0|1,0,1]=4 13165 B12R0.183 C#C[C@@H](C)OCCCCC(=O)OC 34a_100009815206_100000204269 [0,2,0,0,0,0|1,0,0]=3 13166 B12R0.183 C#C[C@@H](C)OCCCCC(=O)OC 7a_100009815206_100000204269 [0,2,0,0,0,0|1,0,0]=3 13167 B12R0.183 C#C[C@@H](C)OCCOCC(=O)OC 34a_100009815206_100000090808 [0,2,0,0,0,0|2,0,0]=4 13168 B12R0.183 C#C[C@@H](C)OCCOCC(=O)OC 7a_100009815206_100000090808 [0,2,0,0,0,0|2,0,0]=4 13169 B12R0.183 C=CC(=O)CCCCCC(=O)OC 1458a_100000185746_100009816466 [0,2,0,0,0,0|0,0,2]=4 13170 B12R0.183 C=CC(C)COCCCC(=O)NC 34a_100011215527_100000741757 [0,2,0,0,0,0|2,0,0]=4 13171 B12R0.183 C=CC(C)COCCCC(=O)NC 7a_100011215527_100000741757 [0,2,0,0,0,0|2,0,0]=4 13172 B12R0.183 C=CC(C)COCCCC(=O)OC 34a_100011215527_100000742333 [0,2,0,0,0,0|1,0,0]=3 13173 B12R0.183 C=CC(C)COCCCC(=O)OC 7a_100011215527_100011218270 [0,2,0,0,0,0|1,0,0]=3 13174 B12R0.183 C=CC(C)OCCCCC(=O)OC 34a_100000695699_100000204269 [0,2,0,0,0,0|1,0,0]=3 13175 B12R0.183 C=CC(C)OCCOCC(=O)OC 34a_100000695699_100000090808 [0,2,0,0,0,0|2,0,0]=4 13176 B12R0.183 C=CC(C)SCCCCC(=O)OC 62a_100011215867_100000204269 [0,2,0,0,0,0|1,0,0]=3 13177 B12R0.183 C=CC(C)SCCOCC(=O)OC 62a_100011215867_100000090808 [0,2,0,0,0,0|2,0,0]=4 13178 B12R0.183 C=CC(O)CSCCCC(=O)OC 62a_100000730141_100011218270 [0,2,0,0,0,0|0,0,2]=4 13179 B12R0.183 C=CC(O)CSCCCC(=O)OC 62a_100011218270_100000730141 [0,2,0,0,0,0|0,0,2]=4 13180 B12R0.183 C=C[C@H](N)COCCCC(=O)OC 34a_100016989147_100000742333 [0,2,0,0,0,0|0,0,2]=4 13181 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,2,0,0,0,0|0,0,0]=2 13182 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,2,0,0,0,0|0,0,0]=2 13183 B12R0.183 CCC(=O)COCCCC(=O)NC 34a_100000725409_100000741757 [0,2,0,0,0,0|1,0,1]=4 13184 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [0,2,0,0,0,0|0,0,1]=3 13185 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,2,0,0,0,0|1,0,0]=3 13186 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747405 [0,2,0,0,0,0|1,0,1]=4 13187 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000747405_100000741757 [0,2,0,0,0,0|1,0,1]=4 13188 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100000747405_100011218270 [0,2,0,0,0,0|0,0,1]=3 13189 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747405 [0,2,0,0,0,0|0,0,1]=3 13190 B12R0.183 CCC(=O)CSCCCN(C)CC 62a_100000747405_100015186262 [0,2,0,0,0,0|2,0,0]=4 13191 B12R0.183 CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210414 [0,2,0,0,0,0|0,0,1]=3 13192 B12R0.183 CCC(=O)NCCNCC(=O)OC 34a_100132302217_100000747449 [0,2,0,0,0,0|1,0,1]=4 13193 B12R0.183 CCC(=O)NCCNCC(C)CC 270004a_100132302217_100000243153 [0,2,0,0,0,0|2,0,0]=4 13194 B12R0.183 CCC(=O)NCCNCC(C)CC 34a_100132302217_100000748023 [0,2,0,0,0,0|2,0,0]=4 13195 B12R0.183 CCC(=O)NCCNCC(O)CC 34a_100132302217_100011218378 [0,2,0,0,0,0|2,0,0]=4 13196 B12R0.183 CCC(=O)NCCNC[C@@H](C)CC 34a_100132302217_100009816398 [0,2,0,0,0,0|2,0,0]=4 13197 B12R0.183 CCC(=O)NCCOCC(=O)OC 34a_200000158885_100000747449 [0,2,0,0,0,0|1,0,1]=4 13198 B12R0.183 CCC(=O)NCCOCC(=O)OC 7a_200000158885_100000747449 [0,2,0,0,0,0|1,0,1]=4 13199 B12R0.183 CCC(=O)NCCOCC(C)CC 34a_200000158885_100000748023 [0,2,0,0,0,0|2,0,0]=4 13200 B12R0.183 CCC(=O)NCCOCC(C)CC 7a_200000158885_100000748023 [0,2,0,0,0,0|2,0,0]=4 13201 B12R0.183 CCC(=O)NCCOCC(O)CC 34a_200000158885_100011218378 [0,2,0,0,0,0|2,0,0]=4 13202 B12R0.183 CCC(=O)NCCOCC(O)CC 7a_200000158885_100011218378 [0,2,0,0,0,0|2,0,0]=4 13203 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 34a_200000158885_100009816398 [0,2,0,0,0,0|2,0,0]=4 13204 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 7a_200000158885_100009816398 [0,2,0,0,0,0|2,0,0]=4 13205 B12R0.183 CCC(=O)OCCOCC(=O)OC 7a_200000031056_100000747449 [0,2,0,0,0,0|1,0,1]=4 13206 B12R0.183 CCC(=O)OCCOCC(C)CC 7a_200000031056_100000748023 [0,2,0,0,0,0|2,0,0]=4 13207 B12R0.183 CCC(=O)OCCOCC(O)CC 7a_200000031056_100011218378 [0,2,0,0,0,0|2,0,0]=4 13208 B12R0.183 CCC(=O)OCCOC[C@@H](C)CC 7a_200000031056_100009816398 [0,2,0,0,0,0|2,0,0]=4 13209 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [0,2,0,0,0,0|1,0,0]=3 13210 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,2,0,0,0,0|0,0,0]=2 13211 B12R0.183 CCC(C)CCNCCC(=O)NC 2230a_100020591266_100000737683 [0,2,0,0,0,0|1,0,0]=3 13212 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,2,0,0,0,0|0,0,0]=2 13213 B12R0.183 CCC(C)CCOCCC(=O)NC 7a_100011215188_100000737683 [0,2,0,0,0,0|1,0,0]=3 13214 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,2,0,0,0,0|0,0,0]=2 13215 B12R0.183 CCC(C)CNC/C=C/C(=O)OC 2230a_100020588543_100000742655 [0,2,0,0,0,0|0,0,2]=4 13216 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100000740002_100000748023 [0,2,0,0,0,0|1,0,0]=3 13217 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100020588543_100000741757 [0,2,0,0,0,0|1,0,0]=3 13218 B12R0.183 CCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243153 [0,2,0,0,0,0|1,0,0]=3 13219 B12R0.183 CCC(C)CNCCCC(=O)NC 34a_100000740002_100000748023 [0,2,0,0,0,0|1,0,0]=3 13220 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,2,0,0,0,0|0,0,0]=2 13221 B12R0.183 CCC(C)CNCCNC(=O)NC 34a_100015205895_100000748023 [0,2,0,0,0,0|2,0,0]=4 13222 B12R0.183 CCC(C)COCCCC(=O)NN 34a_100000211488_100000748023 [0,2,0,0,0,0|2,0,0]=4 13223 B12R0.183 CCC(C)COCCNC(=O)OC 34a_100000757965_100000748023 [0,2,0,0,0,0|1,0,0]=3 13224 B12R0.183 CCC(C)COCCOC(=O)OC 34a_100010262106_100000748023 [0,2,0,0,0,0|1,0,0]=3 13225 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000742655_100000748023 [0,2,0,0,0,0|0,0,2]=4 13226 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000748023_100000742655 [0,2,0,0,0,0|0,0,2]=4 13227 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000741757_100000748023 [0,2,0,0,0,0|1,0,0]=3 13228 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000748023_100000741757 [0,2,0,0,0,0|1,0,0]=3 13229 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,2,0,0,0,0|0,0,0]=2 13230 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,2,0,0,0,0|0,0,0]=2 13231 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_100000748023_200011997002 [0,2,0,0,0,0|2,0,0]=4 13232 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_200011997002_100000748023 [0,2,0,0,0,0|2,0,0]=4 13233 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,2,0,0,0,0|0,0,0]=2 13234 B12R0.183 CCC(C)NCCOCC(=O)OC 2230a_100000209981_100000090808 [0,2,0,0,0,0|1,0,0]=3 13235 B12R0.183 CCC(C)NN=CCCC(=O)OC 4a_100000718999_100012047195 [0,2,0,0,0,0|1,0,1]=4 13236 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,2,0,0,0,0|0,0,0]=2 13237 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,2,0,0,0,0|0,0,0]=2 13238 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,2,0,0,0,0|0,0,0]=2 13239 B12R0.183 CCC(C)OCCOCC(=O)OC 7a_100000210228_100000090808 [0,2,0,0,0,0|1,0,0]=3 13240 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,2,0,0,0,0|0,0,0]=2 13241 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,2,0,0,0,0|0,0,0]=2 13242 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000090808_100000758301 [0,2,0,0,0,0|1,0,0]=3 13243 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000758301_100000090808 [0,2,0,0,0,0|1,0,0]=3 13244 B12R0.183 CCC(O)CNC/C=C/C(=O)OC 2230a_100011218483_100000742655 [0,2,0,0,0,0|0,0,2]=4 13245 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100000740002_100011218378 [0,2,0,0,0,0|1,0,0]=3 13246 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100011218483_100000741757 [0,2,0,0,0,0|1,0,0]=3 13247 B12R0.183 CCC(O)CNCCCC(=O)NC 34a_100000740002_100011218378 [0,2,0,0,0,0|1,0,0]=3 13248 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,2,0,0,0,0|0,0,0]=2 13249 B12R0.183 CCC(O)CNCCNC(=O)NC 34a_100015205895_100011218378 [0,2,0,0,0,0|2,0,0]=4 13250 B12R0.183 CCC(O)CNN=CCC(=O)OC 4a_100015206393_200011552997 [0,2,0,0,0,0|1,0,1]=4 13251 B12R0.183 CCC(O)COCCCC(=O)NN 34a_100000211488_100011218378 [0,2,0,0,0,0|2,0,0]=4 13252 B12R0.183 CCC(O)COCCNC(=O)OC 34a_100000757965_100011218378 [0,2,0,0,0,0|1,0,0]=3 13253 B12R0.183 CCC(O)COCCOC(=O)OC 34a_100010262106_100011218378 [0,2,0,0,0,0|1,0,0]=3 13254 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100000742655_100011218378 [0,2,0,0,0,0|0,0,2]=4 13255 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100011218378_100000742655 [0,2,0,0,0,0|0,0,2]=4 13256 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100000741757_100011218378 [0,2,0,0,0,0|1,0,0]=3 13257 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100011218378_100000741757 [0,2,0,0,0,0|1,0,0]=3 13258 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,2,0,0,0,0|0,0,0]=2 13259 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,2,0,0,0,0|0,0,0]=2 13260 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_100011218378_200011997002 [0,2,0,0,0,0|2,0,0]=4 13261 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_200011997002_100011218378 [0,2,0,0,0,0|2,0,0]=4 13262 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,2,0,0,0,0|0,0,0]=2 13263 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,2,0,0,0,0|0,0,0]=2 13264 B12R0.183 CCN(C)CCCNCC(=O)NC 2230a_100000693194_100015186262 [0,2,0,0,0,0|2,0,0]=4 13265 B12R0.183 CCN(C)CCCSCC(=O)NC 62a_100000183359_100015186262 [0,2,0,0,0,0|2,0,0]=4 13266 B12R0.183 CCN(C)CCCSCC(=O)OC 62a_100000747449_100015186262 [0,2,0,0,0,0|1,0,0]=3 13267 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 2230a_100000740002_100009816398 [0,2,0,0,0,0|1,0,0]=3 13268 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 34a_100000740002_100009816398 [0,2,0,0,0,0|1,0,0]=3 13269 B12R0.183 CC[C@H](C)CNCCNC(=O)NC 34a_100015205895_100009816398 [0,2,0,0,0,0|2,0,0]=4 13270 B12R0.183 CC[C@H](C)COC/C=C/C(=O)OC 7a_100009816381_100000742655 [0,2,0,0,0,0|0,0,2]=4 13271 B12R0.183 CC[C@H](C)COCCCC(=O)NC 7a_100009816381_100000741757 [0,2,0,0,0,0|1,0,0]=3 13272 B12R0.183 CC[C@H](C)COCCCC(=O)NN 34a_100000211488_100009816398 [0,2,0,0,0,0|2,0,0]=4 13273 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,2,0,0,0,0|0,0,0]=2 13274 B12R0.183 CC[C@H](C)COCCNC(=O)OC 34a_100000757965_100009816398 [0,2,0,0,0,0|1,0,0]=3 13275 B12R0.183 CC[C@H](C)COCCOC(=O)NC 7a_100009816381_200011997002 [0,2,0,0,0,0|2,0,0]=4 13276 B12R0.183 CC[C@H](C)COCCOC(=O)OC 34a_100010262106_100009816398 [0,2,0,0,0,0|1,0,0]=3 13277 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100000742655_100009816398 [0,2,0,0,0,0|0,0,2]=4 13278 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100009816398_100000742655 [0,2,0,0,0,0|0,0,2]=4 13279 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100000741757_100009816398 [0,2,0,0,0,0|1,0,0]=3 13280 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100009816398_100000741757 [0,2,0,0,0,0|1,0,0]=3 13281 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,2,0,0,0,0|0,0,0]=2 13282 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,2,0,0,0,0|0,0,0]=2 13283 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_100009816398_200011997002 [0,2,0,0,0,0|2,0,0]=4 13284 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_200011997002_100009816398 [0,2,0,0,0,0|2,0,0]=4 13285 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [0,2,0,0,0,0|0,0,1]=3 13286 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [0,2,0,0,0,0|0,0,1]=3 13287 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [0,2,0,0,0,0|0,0,1]=3 13288 B12R0.183 CNC(=O)CCCNCC(=O)OC 2230a_100000740002_100000747449 [0,2,0,0,0,0|1,0,1]=4 13289 B12R0.183 CNC(=O)CCCNCC(=O)OC 34a_100000740002_100000747449 [0,2,0,0,0,0|1,0,1]=4 13290 B12R0.183 CNC(=O)CCCNCC(C)CO 34a_100000744482_100000741757 [0,2,0,0,0,0|2,0,0]=4 13291 B12R0.183 CNC(=O)CCCNCC(O)CO 2230a_100000740002_100011219619 [0,2,0,0,0,0|2,0,0]=4 13292 B12R0.183 CNC(=O)CCCNCC(O)CO 34a_100000740002_100011219619 [0,2,0,0,0,0|2,0,0]=4 13293 B12R0.183 CNC(=O)CCCNC[C@@H](C)CO 2230a_100000740002_100000059175 [0,2,0,0,0,0|2,0,0]=4 13294 B12R0.183 CNC(=O)CCCNC[C@@H](C)CO 34a_100000740002_100000059175 [0,2,0,0,0,0|2,0,0]=4 13295 B12R0.183 CNC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100000741757 [0,2,0,0,0,0|2,0,0]=4 13296 B12R0.183 CNC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000741757 [0,2,0,0,0,0|2,0,0]=4 13297 B12R0.183 CNC(=O)CCCNC[C@@H](O)CF 2230a_100000740002_100015614560 [0,2,0,0,0,0|2,0,0]=4 13298 B12R0.183 CNC(=O)CCCNC[C@@H](O)CF 34a_100000740002_100015614560 [0,2,0,0,0,0|2,0,0]=4 13299 B12R0.183 CNC(=O)CCCNC[C@@H](O)CO 2230a_100000740002_100009815848 [0,2,0,0,0,0|2,0,0]=4 13300 B12R0.183 CNC(=O)CCCNC[C@@H](O)CO 34a_100000740002_100009815848 [0,2,0,0,0,0|2,0,0]=4 13301 B12R0.183 CNC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100000741757 [0,2,0,0,0,0|2,0,0]=4 13302 B12R0.183 CNC(=O)CCCOCC(C)CN 34a_100000744482_100000741757 [0,2,0,0,0,0|2,0,0]=4 13303 B12R0.183 CNC(=O)CCCOCC(C)OC 34a_100000690652_100000741757 [0,2,0,0,0,0|2,0,0]=4 13304 B12R0.183 CNC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000741757 [0,2,0,0,0,0|2,0,0]=4 13305 B12R0.183 CNC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000741757 [0,2,0,0,0,0|2,0,0]=4 13306 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000741757_100000747449 [0,2,0,0,0,0|1,0,1]=4 13307 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000747449_100000741757 [0,2,0,0,0,0|1,0,1]=4 13308 B12R0.183 CNC(=O)CCCSCC(O)CO 62a_100000741757_100011219619 [0,2,0,0,0,0|2,0,0]=4 13309 B12R0.183 CNC(=O)CCCSCC(O)CO 62a_100011219619_100000741757 [0,2,0,0,0,0|2,0,0]=4 13310 B12R0.183 CNC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100000741757 [0,2,0,0,0,0|2,0,0]=4 13311 B12R0.183 CNC(=O)CCCSC[C@@H](C)CO 62a_100000741757_100000059175 [0,2,0,0,0,0|2,0,0]=4 13312 B12R0.183 CNC(=O)CCCSC[C@@H](O)CF 62a_100000741757_100015614560 [0,2,0,0,0,0|2,0,0]=4 13313 B12R0.183 CNC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100000741757 [0,2,0,0,0,0|2,0,0]=4 13314 B12R0.183 CNC(=O)CCCSC[C@@H](O)CO 62a_100000741757_100009815848 [0,2,0,0,0,0|2,0,0]=4 13315 B12R0.183 CNC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100000741757 [0,2,0,0,0,0|2,0,0]=4 13316 B12R0.183 CNC(=O)CCNCCC(=O)OC 2230a_100000738227_100000204255 [0,2,0,0,0,0|1,0,1]=4 13317 B12R0.183 CNC(=O)CCNCCC(=O)OC 34a_100000738227_100000742370 [0,2,0,0,0,0|1,0,1]=4 13318 B12R0.183 CNC(=O)CCNCCC(C)CO 2230a_106354213184_100000737683 [0,2,0,0,0,0|2,0,0]=4 13319 B12R0.183 CNC(=O)CCNCCC(C)CO 34a_106354213184_100012179268 [0,2,0,0,0,0|2,0,0]=4 13320 B12R0.183 CNC(=O)CCOCCC(=O)OC 34a_100000754576_100000742370 [0,2,0,0,0,0|1,0,1]=4 13321 B12R0.183 CNC(=O)CCOCCC(C)OC 7a_100000764861_100000737683 [0,2,0,0,0,0|2,0,0]=4 13322 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000204255_100000737683 [0,2,0,0,0,0|1,0,1]=4 13323 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000737683_100000204255 [0,2,0,0,0,0|1,0,1]=4 13324 B12R0.183 CNC(=O)CNCCCC(=O)OC 2230a_100000693194_100011218270 [0,2,0,0,0,0|1,0,1]=4 13325 B12R0.183 CNC(=O)COCCCC(=O)OC 34a_100000750040_100000742333 [0,2,0,0,0,0|1,0,1]=4 13326 B12R0.183 CNC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 13327 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100000183359_100011218270 [0,2,0,0,0,0|1,0,1]=4 13328 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100011218270_100000183359 [0,2,0,0,0,0|1,0,1]=4 13329 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [0,2,0,0,0,0|0,0,1]=3 13330 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [0,2,0,0,0,0|0,0,1]=3 13331 B12R0.183 COC(=O)CCCCNC(=O)CO 188690a_100000746077_100000210174 [0,2,0,0,0,0|1,0,1]=4 13332 B12R0.183 COC(=O)CCCCNC(C)C#N 2230a_100000737613_100000204269 [0,2,0,0,0,0|1,0,0]=3 13333 B12R0.183 COC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000204269 [0,2,0,0,0,0|1,0,0]=3 13334 B12R0.183 COC(=O)CCCCOC(C)C#N 34a_100011218135_100000204269 [0,2,0,0,0,0|1,0,0]=3 13335 B12R0.183 COC(=O)CCCCOC(C)C#N 7a_100000059025_100000703298 [0,2,0,0,0,0|1,0,0]=3 13336 B12R0.183 COC(=O)CCCCOC(C)CF 34a_100016041109_100000204269 [0,2,0,0,0,0|1,0,0]=3 13337 B12R0.183 COC(=O)CCCCOC(C)CF 7a_100016041109_100000204269 [0,2,0,0,0,0|1,0,0]=3 13338 B12R0.183 COC(=O)CCCCOC(C)CN 34a_100000210904_100000204269 [0,2,0,0,0,0|1,0,0]=3 13339 B12R0.183 COC(=O)CCCCOC(C)CO 34a_100000059025_100012180447 [0,2,0,0,0,0|1,0,0]=3 13340 B12R0.183 COC(=O)CCCCOC(C)CO 7a_100000059025_100012180447 [0,2,0,0,0,0|1,0,0]=3 13341 B12R0.183 COC(=O)CCCCSC(C)C#N 62a_100000204269_100000703298 [0,2,0,0,0,0|1,0,0]=3 13342 B12R0.183 COC(=O)CCCCSC(C)C#N 62a_100000703298_100000204269 [0,2,0,0,0,0|1,0,0]=3 13343 B12R0.183 COC(=O)CCCCSC(C)CO 62a_100012180447_100000204269 [0,2,0,0,0,0|1,0,0]=3 13344 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100000204269_100009879195 [0,2,0,0,0,0|1,0,0]=3 13345 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100009879195_100000204269 [0,2,0,0,0,0|1,0,0]=3 13346 B12R0.183 COC(=O)CCCCSC(F)C#N 62a_100000204269_200000117898 [0,2,0,0,0,0|1,0,1]=4 13347 B12R0.183 COC(=O)CCCCSC(F)C#N 62a_200000117898_100000204269 [0,2,0,0,0,0|1,0,1]=4 13348 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100000204269_100016084084 [0,2,0,0,0,0|1,0,0]=3 13349 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000204269 [0,2,0,0,0,0|1,0,0]=3 13350 B12R0.183 COC(=O)CCCNCC(C)CO 34a_100000744482_100000742333 [0,2,0,0,0,0|1,0,0]=3 13351 B12R0.183 COC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100011218270 [0,2,0,0,0,0|1,0,0]=3 13352 B12R0.183 COC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000742333 [0,2,0,0,0,0|1,0,0]=3 13353 B12R0.183 COC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100011218270 [0,2,0,0,0,0|1,0,0]=3 13354 B12R0.183 COC(=O)CCCOCC(C)CN 34a_100000744482_100000742333 [0,2,0,0,0,0|1,0,0]=3 13355 B12R0.183 COC(=O)CCCOCC(C)OC 34a_100000690652_100000742333 [0,2,0,0,0,0|1,0,0]=3 13356 B12R0.183 COC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000742333 [0,2,0,0,0,0|1,0,0]=3 13357 B12R0.183 COC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000742333 [0,2,0,0,0,0|1,0,0]=3 13358 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100000747449_100011218270 [0,2,0,0,0,0|1,0,1]=4 13359 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100011218270_100000747449 [0,2,0,0,0,0|1,0,1]=4 13360 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011218270_100011219619 [0,2,0,0,0,0|1,0,0]=3 13361 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011219619_100011218270 [0,2,0,0,0,0|1,0,0]=3 13362 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011218270 [0,2,0,0,0,0|1,0,0]=3 13363 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100011218270_100000059175 [0,2,0,0,0,0|1,0,0]=3 13364 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100011218270_100015614560 [0,2,0,0,0,0|1,0,0]=3 13365 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011218270 [0,2,0,0,0,0|1,0,0]=3 13366 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011218270 [0,2,0,0,0,0|1,0,0]=3 13367 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100011218270_100009815848 [0,2,0,0,0,0|1,0,0]=3 13368 B12R0.183 COC(=O)CCNCCC(C)CO 2230a_106354213184_100000204255 [0,2,0,0,0,0|1,0,0]=3 13369 B12R0.183 COC(=O)CCNCCC(C)CO 34a_106354213184_100000742370 [0,2,0,0,0,0|1,0,0]=3 13370 B12R0.183 COC(=O)CCOCCC(C)OC 7a_100000764861_100000204255 [0,2,0,0,0,0|1,0,0]=3 13371 B12R0.183 COC(=O)CCSCCC(=O)OC 62a_100000204255_100000204255 [0,2,0,0,0,0|1,0,1]=4 13372 B12R0.183 COC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000747449 [0,2,0,0,0,0|1,0,0]=3 13373 B12R0.183 COC(=O)COCCNC(C)C#N 2230a_100000737613_100000090808 [0,2,0,0,0,0|2,0,0]=4 13374 B12R0.183 COC(=O)COCCN[C@H](C)CO 2230a_100000737577_100000090808 [0,2,0,0,0,0|2,0,0]=4 13375 B12R0.183 COC(=O)COCCOC(C)C#N 34a_100011218135_100000090808 [0,2,0,0,0,0|2,0,0]=4 13376 B12R0.183 COC(=O)COCCOC(C)CF 34a_100016041109_100000090808 [0,2,0,0,0,0|2,0,0]=4 13377 B12R0.183 COC(=O)COCCOC(C)CF 7a_100016041109_100000090808 [0,2,0,0,0,0|2,0,0]=4 13378 B12R0.183 COC(=O)COCCOC(C)CN 34a_100000210904_100000090808 [0,2,0,0,0,0|2,0,0]=4 13379 B12R0.183 COC(=O)COCCSC(C)C#N 62a_100000090808_100000703298 [0,2,0,0,0,0|2,0,0]=4 13380 B12R0.183 COC(=O)COCCSC(C)C#N 62a_100000703298_100000090808 [0,2,0,0,0,0|2,0,0]=4 13381 B12R0.183 COC(=O)COCCSC(C)CO 62a_100012180447_100000090808 [0,2,0,0,0,0|2,0,0]=4 13382 B12R0.183 COC(=O)COCCSC(C)OC 62a_100000090808_100009879195 [0,2,0,0,0,0|2,0,0]=4 13383 B12R0.183 COC(=O)COCCSC(C)OC 62a_100009879195_100000090808 [0,2,0,0,0,0|2,0,0]=4 13384 B12R0.183 COC(=O)COCCS[C@H](C)CO 62a_100000090808_100016084084 [0,2,0,0,0,0|2,0,0]=4 13385 B12R0.183 COC(=O)COCCS[C@H](C)CO 62a_100016084084_100000090808 [0,2,0,0,0,0|2,0,0]=4 13386 B12R0.183 COC(=O)NCCOCC(O)CO 34a_100000757965_100011219619 [0,2,0,0,0,0|2,0,0]=4 13387 B12R0.183 COC(=O)NCCOC[C@@H](C)CO 34a_100000757965_100000059175 [0,2,0,0,0,0|2,0,0]=4 13388 B12R0.183 COC(=O)NCCOC[C@@H](O)CF 34a_100000757965_100015614560 [0,2,0,0,0,0|2,0,0]=4 13389 B12R0.183 COC(=O)NCCOC[C@@H](O)CO 34a_100000757965_100009815848 [0,2,0,0,0,0|2,0,0]=4 13390 B12R0.183 COC(=O)OCCOCC(O)CO 34a_100010262106_100011219619 [0,2,0,0,0,0|2,0,0]=4 13391 B12R0.183 COC(=O)OCCOC[C@@H](C)CO 34a_100010262106_100000059175 [0,2,0,0,0,0|2,0,0]=4 13392 B12R0.183 COC(=O)OCCOC[C@@H](O)CF 34a_100010262106_100015614560 [0,2,0,0,0,0|2,0,0]=4 13393 B12R0.183 COC(=O)OCCOC[C@@H](O)CO 34a_100010262106_100009815848 [0,2,0,0,0,0|2,0,0]=4 13394 B12R0.184 C=C(Br)CCOCCCC(=O)OC 34a_100009813270_100000742333 [0,2,0,0,0,0|0,0,2]=4 13395 B12R0.184 C=C(C)CCNCCCC(=O)NC 2230a_100000740002_100000730704 [0,2,0,0,0,0|1,0,1]=4 13396 B12R0.184 C=C(C)CCNCCCC(=O)NC 34a_100000740002_100000730704 [0,2,0,0,0,0|1,0,1]=4 13397 B12R0.184 C=C(C)CCOCCCC(=O)NC 34a_100000764851_100000741757 [0,2,0,0,0,0|1,0,1]=4 13398 B12R0.184 C=C(C)CCOCCCC(=O)OC 34a_100000764851_100000742333 [0,2,0,0,0,0|0,0,1]=3 13399 B12R0.184 C=C(C)CCOCCNC(=O)OC 34a_100000757965_100000730704 [0,2,0,0,0,0|1,0,1]=4 13400 B12R0.184 C=C(C)CCOCCOC(=O)OC 34a_100010262106_100000730704 [0,2,0,0,0,0|1,0,1]=4 13401 B12R0.184 C=C(C)CCSCCCC(=O)NC 62a_100000730704_100000741757 [0,2,0,0,0,0|1,0,1]=4 13402 B12R0.184 C=C(C)CCSCCCC(=O)NC 62a_100000741757_100000730704 [0,2,0,0,0,0|1,0,1]=4 13403 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100000730704_100011218270 [0,2,0,0,0,0|0,0,1]=3 13404 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100011218270_100000730704 [0,2,0,0,0,0|0,0,1]=3 13405 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000059025_100000748629 [0,2,0,0,0,0|0,0,1]=3 13406 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000210245_100000204269 [0,2,0,0,0,0|0,0,1]=3 13407 B12R0.184 C=C(C)COCCCCC(=O)OC 7a_100000059025_100000748629 [0,2,0,0,0,0|0,0,1]=3 13408 B12R0.184 C=C(C)COCCOCC(=O)OC 34a_100000210245_100000090808 [0,2,0,0,0,0|1,0,1]=4 13409 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000204269_100000211660 [0,2,0,0,0,0|0,0,1]=3 13410 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000748629_100000204269 [0,2,0,0,0,0|0,0,1]=3 13411 B12R0.184 C=C(C)CSCCOCC(=O)OC 62a_100000090808_100000211660 [0,2,0,0,0,0|1,0,1]=4 13412 B12R0.184 C=C(C)CSCCOCC(=O)OC 62a_100000748629_100000090808 [0,2,0,0,0,0|1,0,1]=4 13413 B12R0.184 C=C(F)COCCCCC(=O)OC 34a_100000059025_100009893438 [0,2,0,0,0,0|0,0,2]=4 13414 B12R0.184 C=C(F)COCCCCC(=O)OC 34a_200010262243_100000204269 [0,2,0,0,0,0|0,0,2]=4 13415 B12R0.184 C=C(F)COCCCCC(=O)OC 7a_100000059025_100000042424 [0,2,0,0,0,0|0,0,2]=4 13416 B12R0.184 C=C(F)CSCCCCC(=O)OC 62a_100000042424_100000204269 [0,2,0,0,0,0|0,0,2]=4 13417 B12R0.184 C=C(F)CSCCCCC(=O)OC 62a_100000204269_100000042424 [0,2,0,0,0,0|0,0,2]=4 13418 B12R0.184 C=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000185746 [0,2,0,0,0,0|1,0,1]=4 13419 B12R0.184 C=CC(=O)NCCCCCC(C)C 240690a_100011290863_200121576911 [0,2,0,0,0,0|1,0,1]=4 13420 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [0,2,0,0,0,0|2,0,0]=4 13421 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [0,2,0,0,0,0|2,0,0]=4 13422 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [0,2,0,0,0,0|2,0,0]=4 13423 B12R0.184 CC(C)CCOCCCC(=O)NN 34a_100000211488_100000210312 [0,2,0,0,0,0|2,0,0]=4 13424 B12R0.184 CC(O)CCOCCCC(=O)NN 34a_100000211488_100012276601 [0,2,0,0,0,0|2,0,0]=4 13425 B12R0.184 CCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210202 [0,2,0,0,0,0|1,0,1]=4 13426 B12R0.184 CCC(=O)CCCCCCB(O)O 1458a_100000210414_100009817187 [0,2,0,0,0,0|2,0,0]=4 13427 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,2,0,0,0,0|1,0,0]=3 13428 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,2,0,0,0,0|1,0,1]=4 13429 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,2,0,0,0,0|1,0,1]=4 13430 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,2,0,0,0,0|1,0,1]=4 13431 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,2,0,0,0,0|1,0,0]=3 13432 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,2,0,0,0,0|1,0,0]=3 13433 B12R0.184 CCC(=O)COCCOCC(C)C 7a_100000703358_100000747405 [0,2,0,0,0,0|2,0,0]=4 13434 B12R0.184 CCC(=O)COCCSCC(C)C 7a_200000230437_100000747405 [0,2,0,0,0,0|2,0,0]=4 13435 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,2,0,0,0,0|1,0,1]=4 13436 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,2,0,0,0,0|1,0,1]=4 13437 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,2,0,0,0,0|1,0,0]=3 13438 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,2,0,0,0,0|1,0,0]=3 13439 B12R0.184 CCC(=O)CSCCCCN(C)C 62a_100000747405_100000690147 [0,2,0,0,0,0|2,0,0]=4 13440 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,2,0,0,0,0|1,0,0]=3 13441 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,2,0,0,0,0|1,0,0]=3 13442 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,2,0,0,0,0|1,0,0]=3 13443 B12R0.184 CCC(=O)NCCCCCN(C)C 240690a_100020635752_100000210414 [0,2,0,0,0,0|2,0,0]=4 13444 B12R0.184 CCC(=O)NCCCOCC(C)C 11a_100000205972_100000210414 [0,2,0,0,0,0|2,0,0]=4 13445 B12R0.184 CCC(=O)NCCCOCC(C)C 1626a_100000205972_100000210414 [0,2,0,0,0,0|2,0,0]=4 13446 B12R0.184 CCC(=O)NCCCOCC(C)C 240690a_100000205972_100000210414 [0,2,0,0,0,0|2,0,0]=4 13447 B12R0.184 CCC(=O)NCCCOCC(C)C 527a_100000205972_100000210414 [0,2,0,0,0,0|2,0,0]=4 13448 B12R0.184 CCC(=O)NCCNCCC(C)C 269862a_100132302217_100000185833 [0,2,0,0,0,0|2,0,0]=4 13449 B12R0.184 CCC(=O)NCCNCCC(C)C 34a_100132302217_100000210312 [0,2,0,0,0,0|2,0,0]=4 13450 B12R0.184 CCC(=O)NCCNCCC(C)O 34a_100132302217_100012276601 [0,2,0,0,0,0|2,0,0]=4 13451 B12R0.184 CCC(=O)NCCOCCC(C)C 34a_200000158885_100000210312 [0,2,0,0,0,0|2,0,0]=4 13452 B12R0.184 CCC(=O)NCCOCCC(C)C 7a_200000158885_100000210626 [0,2,0,0,0,0|2,0,0]=4 13453 B12R0.184 CCC(=O)NCCOCCC(C)O 34a_200000158885_100012276601 [0,2,0,0,0,0|2,0,0]=4 13454 B12R0.184 CCC(=O)NCCOCCC(C)O 7a_200000158885_100012276601 [0,2,0,0,0,0|2,0,0]=4 13455 B12R0.184 CCC(=O)OCCOCCC(C)C 7a_200000031056_100000210626 [0,2,0,0,0,0|2,0,0]=4 13456 B12R0.184 CCC(=O)OCCOCCC(C)O 7a_200000031056_100012276601 [0,2,0,0,0,0|2,0,0]=4 13457 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 11a_106832991635_200016995844 [0,2,0,0,0,0|1,0,1]=4 13458 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 1626a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 13459 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 240690a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 13460 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 527a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 13461 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [0,2,0,0,0,0|1,0,0]=3 13462 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 13463 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 13464 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 13465 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [0,2,0,0,0,0|1,0,1]=4 13466 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [0,2,0,0,0,0|1,0,1]=4 13467 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [0,2,0,0,0,0|1,0,1]=4 13468 B12R0.184 CNC(=O)CCCNCCC(C)C 2230a_100000740002_100000210312 [0,2,0,0,0,0|1,0,0]=3 13469 B12R0.184 CNC(=O)CCCNCCC(C)C 269862a_100000740002_100000185833 [0,2,0,0,0,0|1,0,0]=3 13470 B12R0.184 CNC(=O)CCCNCCC(C)C 34a_100000740002_100000210312 [0,2,0,0,0,0|1,0,0]=3 13471 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_100000740002_100012276601 [0,2,0,0,0,0|1,0,0]=3 13472 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_200000755665_100000741757 [0,2,0,0,0,0|1,0,0]=3 13473 B12R0.184 CNC(=O)CCCNCCC(C)O 34a_100000740002_100012276601 [0,2,0,0,0,0|1,0,0]=3 13474 B12R0.184 CNC(=O)CCCNCOC(C)C 2230a_100000740002_100000709892 [0,2,0,0,0,0|2,0,0]=4 13475 B12R0.184 CNC(=O)CCCNCOC(C)C 34a_100000740002_100000709892 [0,2,0,0,0,0|2,0,0]=4 13476 B12R0.184 CNC(=O)CCCOCCC(=O)C 34a_100000759926_100000741757 [0,2,0,0,0,0|1,0,1]=4 13477 B12R0.184 CNC(=O)CCCOCCC(=O)C 7a_100000759926_100000741757 [0,2,0,0,0,0|1,0,1]=4 13478 B12R0.184 CNC(=O)CCCOCCC(C)Br 34a_100009893172_100000741757 [0,2,0,0,0,0|1,0,0]=3 13479 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [0,2,0,0,0,0|1,0,0]=3 13480 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [0,2,0,0,0,0|1,0,0]=3 13481 B12R0.184 CNC(=O)CCCOCCC(F)F 34a_100103093639_100000741757 [0,2,0,0,0,0|2,0,0]=4 13482 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [0,2,0,0,0,0|1,0,0]=3 13483 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000053229_100000741757 [0,2,0,0,0,0|1,0,1]=4 13484 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000741757_100000053229 [0,2,0,0,0,0|1,0,1]=4 13485 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000210312_100000741757 [0,2,0,0,0,0|1,0,0]=3 13486 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000741757_100000210312 [0,2,0,0,0,0|1,0,0]=3 13487 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100000741757_100012276601 [0,2,0,0,0,0|1,0,0]=3 13488 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100012276601_100000741757 [0,2,0,0,0,0|1,0,0]=3 13489 B12R0.184 CNC(=O)CCCSCCN(C)C 62a_100000741757_100000755713 [0,2,0,0,0,0|2,0,0]=4 13490 B12R0.184 CNC(=O)CCCSCOC(C)C 62a_100000709892_100000741757 [0,2,0,0,0,0|2,0,0]=4 13491 B12R0.184 CNC(=O)CCCSCOC(C)C 62a_100000741757_100000709892 [0,2,0,0,0,0|2,0,0]=4 13492 B12R0.184 CNC(=O)CCNCCCC(=O)C 34a_100000738227_100000685027 [0,2,0,0,0,0|1,0,1]=4 13493 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_100000738227_100011214892 [0,2,0,0,0,0|1,0,0]=3 13494 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737683 [0,2,0,0,0,0|1,0,0]=3 13495 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_100000738227_100011214892 [0,2,0,0,0,0|1,0,0]=3 13496 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_200000737386_100012179268 [0,2,0,0,0,0|1,0,0]=3 13497 B12R0.184 CNC(=O)CCNCCCC(C)O 2230a_100000738227_200000718107 [0,2,0,0,0,0|1,0,0]=3 13498 B12R0.184 CNC(=O)CCNCCCC(C)O 34a_100000738227_200000718107 [0,2,0,0,0,0|1,0,0]=3 13499 B12R0.184 CNC(=O)CCNCCCS(=O)C 2230a_200000753449_100000737683 [0,2,0,0,0,0|2,0,0]=4 13500 B12R0.184 CNC(=O)CCNCCOC(C)C 2230a_100000701111_100000737683 [0,2,0,0,0,0|2,0,0]=4 13501 B12R0.184 CNC(=O)CCNCCOC(C)C 2230a_100000738227_100000211751 [0,2,0,0,0,0|2,0,0]=4 13502 B12R0.184 CNC(=O)CCNCCOC(C)C 34a_100000701111_100012179268 [0,2,0,0,0,0|2,0,0]=4 13503 B12R0.184 CNC(=O)CCNCCOC(C)C 34a_100000738227_100000211751 [0,2,0,0,0,0|2,0,0]=4 13504 B12R0.184 CNC(=O)CCNCCSC(C)C 2230a_100000731138_100000737683 [0,2,0,0,0,0|2,0,0]=4 13505 B12R0.184 CNC(=O)CCNCCSC(C)C 2230a_100000738227_100000730970 [0,2,0,0,0,0|2,0,0]=4 13506 B12R0.184 CNC(=O)CCNCCSC(C)C 34a_100000731138_100012179268 [0,2,0,0,0,0|2,0,0]=4 13507 B12R0.184 CNC(=O)CCNCCSC(C)C 34a_100000738227_100000730970 [0,2,0,0,0,0|2,0,0]=4 13508 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000754576_100000685027 [0,2,0,0,0,0|1,0,1]=4 13509 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000759063_100012179268 [0,2,0,0,0,0|1,0,1]=4 13510 B12R0.184 CNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737683 [0,2,0,0,0,0|1,0,1]=4 13511 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [0,2,0,0,0,0|1,0,0]=3 13512 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [0,2,0,0,0,0|1,0,0]=3 13513 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [0,2,0,0,0,0|1,0,0]=3 13514 B12R0.184 CNC(=O)CCOCCCC(C)O 34a_100000754576_200000718107 [0,2,0,0,0,0|1,0,0]=3 13515 B12R0.184 CNC(=O)CCOCCNC(C)C 34a_100000224655_100012179268 [0,2,0,0,0,0|2,0,0]=4 13516 B12R0.184 CNC(=O)CCOCCOC(C)C 34a_100000211219_100012179268 [0,2,0,0,0,0|2,0,0]=4 13517 B12R0.184 CNC(=O)CCOCCOC(C)C 34a_100000754576_100000211751 [0,2,0,0,0,0|2,0,0]=4 13518 B12R0.184 CNC(=O)CCOCCOC(C)C 7a_100000211219_100000737683 [0,2,0,0,0,0|2,0,0]=4 13519 B12R0.184 CNC(=O)CCOCCSC(C)C 34a_100000754576_100000730970 [0,2,0,0,0,0|2,0,0]=4 13520 B12R0.184 CNC(=O)CCOCCSC(C)C 34a_200011212901_100012179268 [0,2,0,0,0,0|2,0,0]=4 13521 B12R0.184 CNC(=O)CCOCCSC(C)C 7a_200011212901_100000737683 [0,2,0,0,0,0|2,0,0]=4 13522 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100000737683_100011215641 [0,2,0,0,0,0|1,0,1]=4 13523 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737683 [0,2,0,0,0,0|1,0,1]=4 13524 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100000737683_100011214892 [0,2,0,0,0,0|1,0,0]=3 13525 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100011214892_100000737683 [0,2,0,0,0,0|1,0,0]=3 13526 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_100000737683_200000718107 [0,2,0,0,0,0|1,0,0]=3 13527 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_200000718107_100000737683 [0,2,0,0,0,0|1,0,0]=3 13528 B12R0.184 CNC(=O)CCSCCCN(C)C 62a_100000737683_100000757444 [0,2,0,0,0,0|2,0,0]=4 13529 B12R0.184 CNC(=O)CCSCCOC(C)C 62a_100000211751_100000737683 [0,2,0,0,0,0|2,0,0]=4 13530 B12R0.184 CNC(=O)CCSCCOC(C)C 62a_100000737683_100000211751 [0,2,0,0,0,0|2,0,0]=4 13531 B12R0.184 CNC(=O)CCSCCSC(C)C 62a_100000730970_100000737683 [0,2,0,0,0,0|2,0,0]=4 13532 B12R0.184 CNC(=O)CCSCCSC(C)C 62a_100000737683_100000730970 [0,2,0,0,0,0|2,0,0]=4 13533 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [0,2,0,0,0,0|1,0,0]=3 13534 B12R0.184 CNC(=O)CNCCCOC(C)C 2230a_100000737246_100000183359 [0,2,0,0,0,0|2,0,0]=4 13535 B12R0.184 CNC(=O)CNCCCOC(C)C 34a_100000737246_100000183359 [0,2,0,0,0,0|2,0,0]=4 13536 B12R0.184 CNC(=O)COCCCCC(=O)C 34a_100000750040_100009817362 [0,2,0,0,0,0|1,0,1]=4 13537 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [0,2,0,0,0,0|1,0,0]=3 13538 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [0,2,0,0,0,0|1,0,0]=3 13539 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [0,2,0,0,0,0|1,0,0]=3 13540 B12R0.184 CNC(=O)COCCCNC(C)C 34a_100000182298_100000183359 [0,2,0,0,0,0|2,0,0]=4 13541 B12R0.184 CNC(=O)COCCNCC(C)C 34a_100015185251_100000183359 [0,2,0,0,0,0|2,0,0]=4 13542 B12R0.184 CNC(=O)COCCOCC(C)C 34a_100000703358_100000183359 [0,2,0,0,0,0|2,0,0]=4 13543 B12R0.184 CNC(=O)COCCOCC(C)C 7a_100000703358_100000183359 [0,2,0,0,0,0|2,0,0]=4 13544 B12R0.184 CNC(=O)COCCSCC(C)C 34a_200000230437_100000183359 [0,2,0,0,0,0|2,0,0]=4 13545 B12R0.184 CNC(=O)COCCSCC(C)C 7a_200000230437_100000183359 [0,2,0,0,0,0|2,0,0]=4 13546 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000183359_100000735457 [0,2,0,0,0,0|1,0,1]=4 13547 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183359 [0,2,0,0,0,0|1,0,1]=4 13548 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,2,0,0,0,0|1,0,0]=3 13549 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,2,0,0,0,0|1,0,0]=3 13550 B12R0.184 CNC(=O)CSCCCCN(C)C 62a_100000183359_100000690147 [0,2,0,0,0,0|2,0,0]=4 13551 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [0,2,0,0,0,0|1,0,0]=3 13552 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [0,2,0,0,0,0|1,0,0]=3 13553 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [0,2,0,0,0,0|1,0,0]=3 13554 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [0,2,0,0,0,0|1,0,0]=3 13555 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [0,2,0,0,0,0|1,0,0]=3 13556 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [0,2,0,0,0,0|1,0,0]=3 13557 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100020635752_106832991635 [0,2,0,0,0,0|2,0,0]=4 13558 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100102657272_100020635752 [0,2,0,0,0,0|2,0,0]=4 13559 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100020635752_100102657272 [0,2,0,0,0,0|2,0,0]=4 13560 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100102657272_100020635752 [0,2,0,0,0,0|2,0,0]=4 13561 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_100020635752_100102657272 [0,2,0,0,0,0|2,0,0]=4 13562 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_106832991638_100020635752 [0,2,0,0,0,0|2,0,0]=4 13563 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100000205972_106832991635 [0,2,0,0,0,0|2,0,0]=4 13564 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100102657272_100000205972 [0,2,0,0,0,0|2,0,0]=4 13565 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100000205972_100102657272 [0,2,0,0,0,0|2,0,0]=4 13566 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100102657272_100000205972 [0,2,0,0,0,0|2,0,0]=4 13567 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_100000205972_100102657272 [0,2,0,0,0,0|2,0,0]=4 13568 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_106832991638_100000205972 [0,2,0,0,0,0|2,0,0]=4 13569 B12R0.184 CNC(=O)NCCNCCC(C)C 269862a_100015205895_100000185833 [0,2,0,0,0,0|2,0,0]=4 13570 B12R0.184 CNC(=O)NCCNCCC(C)C 34a_100015205895_100000210312 [0,2,0,0,0,0|2,0,0]=4 13571 B12R0.184 CNC(=O)NCCNCCC(C)O 34a_100015205895_100012276601 [0,2,0,0,0,0|2,0,0]=4 13572 B12R0.184 CNC(=O)OCCOCCC(C)Br 34a_100009893172_200011997002 [0,2,0,0,0,0|2,0,0]=4 13573 B12R0.184 CNC(=O)OCCOCCC(C)C 34a_100000210254_200011997002 [0,2,0,0,0,0|2,0,0]=4 13574 B12R0.184 CNC(=O)OCCOCCC(C)C 7a_100000210254_200011997002 [0,2,0,0,0,0|2,0,0]=4 13575 B12R0.184 CNC(=O)OCCOCC[C@@H](C)N 34a_100000706166_200011997002 [0,2,0,0,0,0|2,0,0]=4 13576 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_100000210312_200011997002 [0,2,0,0,0,0|2,0,0]=4 13577 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_200011997002_100000210312 [0,2,0,0,0,0|2,0,0]=4 13578 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_100012276601_200011997002 [0,2,0,0,0,0|2,0,0]=4 13579 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_200011997002_100012276601 [0,2,0,0,0,0|2,0,0]=4 13580 B12R0.184 COC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100000742655 [0,2,0,0,0,0|0,0,2]=4 13581 B12R0.184 COC(=O)/C=C/COCCC(C)Br 34a_100009893172_100000742655 [0,2,0,0,0,0|0,0,2]=4 13582 B12R0.184 COC(=O)/C=C/COCCC(C)C 34a_100000210254_100000742655 [0,2,0,0,0,0|0,0,2]=4 13583 B12R0.184 COC(=O)/C=C/COCCC(C)C 7a_100000210254_100000742655 [0,2,0,0,0,0|0,0,2]=4 13584 B12R0.184 COC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100000742655 [0,2,0,0,0,0|0,0,2]=4 13585 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000210312_100000742655 [0,2,0,0,0,0|0,0,2]=4 13586 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000742655_100000210312 [0,2,0,0,0,0|0,0,2]=4 13587 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100000742655_100012276601 [0,2,0,0,0,0|0,0,2]=4 13588 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100012276601_100000742655 [0,2,0,0,0,0|0,0,2]=4 13589 B12R0.184 COC(=O)CCC=NNCC(C)O 4a_200000730056_100012047195 [0,2,0,0,0,0|1,0,1]=4 13590 B12R0.184 COC(=O)CCCC=NNC(C)C 4a_100000741168_100000094087 [0,2,0,0,0,0|1,0,1]=4 13591 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,2,0,0,0,0|0,0,0]=2 13592 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,2,0,0,0,0|0,0,0]=2 13593 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,2,0,0,0,0|0,0,0]=2 13594 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [0,2,0,0,0,0|0,0,0]=2 13595 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [0,2,0,0,0,0|0,0,0]=2 13596 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,2,0,0,0,0|0,0,1]=3 13597 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [0,2,0,0,0,0|0,0,0]=2 13598 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [0,2,0,0,0,0|0,0,0]=2 13599 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [0,2,0,0,0,0|0,0,0]=2 13600 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [0,2,0,0,0,0|0,0,0]=2 13601 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [0,2,0,0,0,0|0,0,0]=2 13602 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [0,2,0,0,0,0|0,0,0]=2 13603 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [0,2,0,0,0,0|0,0,0]=2 13604 B12R0.184 COC(=O)CCCCNCC(=O)N 2230a_100000711301_100000204269 [0,2,0,0,0,0|1,0,1]=4 13605 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [0,2,0,0,0,0|1,0,1]=4 13606 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [0,2,0,0,0,0|0,0,0]=2 13607 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [0,2,0,0,0,0|0,0,0]=2 13608 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,2,0,0,0,0|0,0,0]=2 13609 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,2,0,0,0,0|0,0,0]=2 13610 B12R0.184 COC(=O)CCCCNCC(F)F 34a_100000765723_100000204269 [0,2,0,0,0,0|1,0,0]=3 13611 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,2,0,0,0,0|0,0,1]=3 13612 B12R0.184 COC(=O)CCCCOCC(=O)N 34a_100000059025_100000187820 [0,2,0,0,0,0|1,0,1]=4 13613 B12R0.184 COC(=O)CCCCOCC(=O)N 7a_100000059025_100000187820 [0,2,0,0,0,0|1,0,1]=4 13614 B12R0.184 COC(=O)CCCCOCC(=O)[O-] 34a_100000059025_100020667443 [0,2,0,0,0,0|1,0,1]=4 13615 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [0,2,0,0,0,0|0,0,0]=2 13616 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [0,2,0,0,0,0|0,0,0]=2 13617 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [0,2,0,0,0,0|0,0,0]=2 13618 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [0,2,0,0,0,0|0,0,0]=2 13619 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [0,2,0,0,0,0|0,0,0]=2 13620 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,2,0,0,0,0|0,0,0]=2 13621 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,2,0,0,0,0|0,0,0]=2 13622 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000059025_100011934356 [0,2,0,0,0,0|1,0,0]=3 13623 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000743014_100000204269 [0,2,0,0,0,0|1,0,0]=3 13624 B12R0.184 COC(=O)CCCCOCC(F)F 7a_100000059025_100011934356 [0,2,0,0,0,0|1,0,0]=3 13625 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [0,2,0,0,0,0|0,0,0]=2 13626 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [0,2,0,0,0,0|0,0,0]=2 13627 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,2,0,0,0,0|0,0,0]=2 13628 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,2,0,0,0,0|0,0,0]=2 13629 B12R0.184 COC(=O)CCCCOC[N+](=O)[O-] 34a_100000059025_100000761209 [0,2,0,0,0,0|2,0,0]=4 13630 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000204269_100000747473 [0,2,0,0,0,0|1,0,1]=4 13631 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000747473_100000204269 [0,2,0,0,0,0|1,0,1]=4 13632 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100000204269_100020667443 [0,2,0,0,0,0|1,0,1]=4 13633 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000204269 [0,2,0,0,0,0|1,0,1]=4 13634 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [0,2,0,0,0,0|0,0,0]=2 13635 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [0,2,0,0,0,0|0,0,0]=2 13636 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,2,0,0,0,0|0,0,0]=2 13637 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,2,0,0,0,0|0,0,0]=2 13638 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100000204269_100011934356 [0,2,0,0,0,0|1,0,0]=3 13639 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100011934356_100000204269 [0,2,0,0,0,0|1,0,0]=3 13640 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,2,0,0,0,0|0,0,0]=2 13641 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,2,0,0,0,0|0,0,0]=2 13642 B12R0.184 COC(=O)CCCCSC[N+](=O)[O-] 62a_100000204269_100000761209 [0,2,0,0,0,0|2,0,0]=4 13643 B12R0.184 COC(=O)CCCNCC=C(C)C 34a_100000718196_100000742333 [0,2,0,0,0,0|0,0,2]=4 13644 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,2,0,0,0,0|0,0,0]=2 13645 B12R0.184 COC(=O)CCCOCC=C(C)C 34a_100000753907_100000742333 [0,2,0,0,0,0|0,0,2]=4 13646 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [0,2,0,0,0,0|0,0,1]=3 13647 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [0,2,0,0,0,0|0,0,1]=3 13648 B12R0.184 COC(=O)CCCOCCC(=O)N 34a_100000757172_100000742333 [0,2,0,0,0,0|1,0,1]=4 13649 B12R0.184 COC(=O)CCCOCCC(=O)N 7a_100000757172_100011218270 [0,2,0,0,0,0|1,0,1]=4 13650 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,2,0,0,0,0|0,0,0]=2 13651 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,2,0,0,0,0|0,0,0]=2 13652 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,2,0,0,0,0|0,0,0]=2 13653 B12R0.184 COC(=O)CCCOCCC(F)F 34a_100103093639_100000742333 [0,2,0,0,0,0|1,0,0]=3 13654 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,2,0,0,0,0|0,0,0]=2 13655 B12R0.184 COC(=O)CCCSCC=C(C)C 62a_100000761012_100011218270 [0,2,0,0,0,0|0,0,2]=4 13656 B12R0.184 COC(=O)CCCSCC=C(C)C 62a_100011218270_100000761012 [0,2,0,0,0,0|0,0,2]=4 13657 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [0,2,0,0,0,0|0,0,1]=3 13658 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [0,2,0,0,0,0|0,0,1]=3 13659 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100000744528_100011218270 [0,2,0,0,0,0|1,0,1]=4 13660 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100011218270_100000744528 [0,2,0,0,0,0|1,0,1]=4 13661 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [0,2,0,0,0,0|0,0,0]=2 13662 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [0,2,0,0,0,0|0,0,0]=2 13663 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,2,0,0,0,0|0,0,0]=2 13664 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,2,0,0,0,0|0,0,0]=2 13665 B12R0.184 COC(=O)CCCSCCN(C)C 62a_100011218270_100000755713 [0,2,0,0,0,0|1,0,0]=3 13666 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100000076356_100011218270 [0,2,0,0,0,0|1,0,1]=4 13667 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100011218270_100000076356 [0,2,0,0,0,0|1,0,1]=4 13668 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100000709892_100011218270 [0,2,0,0,0,0|1,0,0]=3 13669 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100011218270_100000709892 [0,2,0,0,0,0|1,0,0]=3 13670 B12R0.184 COC(=O)CCNCCCC(=O)N 34a_100000739312_100000742370 [0,2,0,0,0,0|1,0,1]=4 13671 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [0,2,0,0,0,0|0,0,0]=2 13672 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [0,2,0,0,0,0|0,0,0]=2 13673 B12R0.184 COC(=O)CCNCCCS(=O)C 2230a_200000753449_100000204255 [0,2,0,0,0,0|1,0,0]=3 13674 B12R0.184 COC(=O)CCNCCNC(=O)C 2230a_100000209853_100000204255 [0,2,0,0,0,0|1,0,1]=4 13675 B12R0.184 COC(=O)CCNCCOC(C)C 2230a_100000701111_100000204255 [0,2,0,0,0,0|1,0,0]=3 13676 B12R0.184 COC(=O)CCNCCOC(C)C 34a_100000701111_100000742370 [0,2,0,0,0,0|1,0,0]=3 13677 B12R0.184 COC(=O)CCNCCSC(C)C 2230a_100000731138_100000204255 [0,2,0,0,0,0|1,0,0]=3 13678 B12R0.184 COC(=O)CCNCCSC(C)C 34a_100000731138_100000742370 [0,2,0,0,0,0|1,0,0]=3 13679 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [0,2,0,0,0,0|0,0,1]=3 13680 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [0,2,0,0,0,0|0,0,1]=3 13681 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,2,0,0,0,0|0,0,0]=2 13682 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,2,0,0,0,0|0,0,0]=2 13683 B12R0.184 COC(=O)CCOCCC[N+](=O)[O-] 34a_200000037920_100000742370 [0,2,0,0,0,0|2,0,0]=4 13684 B12R0.184 COC(=O)CCOCCNC(=O)C 188690a_100102954618_100015343762 [0,2,0,0,0,0|1,0,1]=4 13685 B12R0.184 COC(=O)CCOCCNC(=O)C 34a_100000158858_100000742370 [0,2,0,0,0,0|1,0,1]=4 13686 B12R0.184 COC(=O)CCOCCNC(C)C 34a_100000224655_100000742370 [0,2,0,0,0,0|1,0,0]=3 13687 B12R0.184 COC(=O)CCOCCOC(C)C 34a_100000211219_100000742370 [0,2,0,0,0,0|1,0,0]=3 13688 B12R0.184 COC(=O)CCOCCOC(C)C 7a_100000211219_100000204255 [0,2,0,0,0,0|1,0,0]=3 13689 B12R0.184 COC(=O)CCOCCSC(C)C 34a_200011212901_100000742370 [0,2,0,0,0,0|1,0,0]=3 13690 B12R0.184 COC(=O)CCOCCSC(C)C 7a_200011212901_100000204255 [0,2,0,0,0,0|1,0,0]=3 13691 B12R0.184 COC(=O)CCSCCC=C(C)C 62a_100000204255_100011217483 [0,2,0,0,0,0|0,0,2]=4 13692 B12R0.184 COC(=O)CCSCCC=C(C)C 62a_100011217483_100000204255 [0,2,0,0,0,0|0,0,2]=4 13693 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [0,2,0,0,0,0|0,0,1]=3 13694 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [0,2,0,0,0,0|0,0,1]=3 13695 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100000204255_100102525003 [0,2,0,0,0,0|1,0,1]=4 13696 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100102525003_100000204255 [0,2,0,0,0,0|1,0,1]=4 13697 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [0,2,0,0,0,0|0,0,0]=2 13698 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [0,2,0,0,0,0|0,0,0]=2 13699 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,2,0,0,0,0|0,0,0]=2 13700 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,2,0,0,0,0|0,0,0]=2 13701 B12R0.184 COC(=O)CCSCCCN(C)C 62a_100000204255_100000757444 [0,2,0,0,0,0|1,0,0]=3 13702 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000189650_100000204255 [0,2,0,0,0,0|1,0,1]=4 13703 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000204255_100000189650 [0,2,0,0,0,0|1,0,1]=4 13704 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100000204255_100009814007 [0,2,0,0,0,0|1,0,1]=4 13705 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100009814007_100000204255 [0,2,0,0,0,0|1,0,1]=4 13706 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000204255_100000211751 [0,2,0,0,0,0|1,0,0]=3 13707 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000211751_100000204255 [0,2,0,0,0,0|1,0,0]=3 13708 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000204255_100000730970 [0,2,0,0,0,0|1,0,0]=3 13709 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000730970_100000204255 [0,2,0,0,0,0|1,0,0]=3 13710 B12R0.184 COC(=O)CNCCCCC(=O)N 34a_100000696515_100000747449 [0,2,0,0,0,0|1,0,1]=4 13711 B12R0.184 COC(=O)CNCCCNC(=O)C 34a_100000736810_100000747449 [0,2,0,0,0,0|1,0,1]=4 13712 B12R0.184 COC(=O)CNCCCOC(C)C 2230a_100000737246_100000747449 [0,2,0,0,0,0|1,0,0]=3 13713 B12R0.184 COC(=O)CNCCCOC(C)C 34a_100000737246_100000747449 [0,2,0,0,0,0|1,0,0]=3 13714 B12R0.184 COC(=O)COCCCCC(=O)N 34a_100012022536_100000747449 [0,2,0,0,0,0|1,0,1]=4 13715 B12R0.184 COC(=O)COCCCCC(=O)N 7a_100012022536_100000747449 [0,2,0,0,0,0|1,0,1]=4 13716 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,2,0,0,0,0|0,0,0]=2 13717 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,2,0,0,0,0|0,0,0]=2 13718 B12R0.184 COC(=O)COCCCC[N+](=O)[O-] 34a_200015379883_100000747449 [0,2,0,0,0,0|2,0,0]=4 13719 B12R0.184 COC(=O)COCCCC[N+](=O)[O-] 7a_200015379883_100000747449 [0,2,0,0,0,0|2,0,0]=4 13720 B12R0.184 COC(=O)COCCCNC(=O)C 34a_100000752032_100000747449 [0,2,0,0,0,0|1,0,1]=4 13721 B12R0.184 COC(=O)COCCCNC(C)C 34a_100000182298_100000747449 [0,2,0,0,0,0|1,0,0]=3 13722 B12R0.184 COC(=O)COCCNCC(C)C 2230a_100000210953_100000090808 [0,2,0,0,0,0|1,0,0]=3 13723 B12R0.184 COC(=O)COCCNCC(C)C 34a_100000210953_100000090808 [0,2,0,0,0,0|1,0,0]=3 13724 B12R0.184 COC(=O)COCCNCC(C)C 34a_100015185251_100000747449 [0,2,0,0,0,0|1,0,0]=3 13725 B12R0.184 COC(=O)COCCNCC(C)O 2230a_100000210904_100000090808 [0,2,0,0,0,0|1,0,0]=3 13726 B12R0.184 COC(=O)COCCNCC(C)O 34a_100000210904_100000090808 [0,2,0,0,0,0|1,0,0]=3 13727 B12R0.184 COC(=O)COCCNCC(F)F 34a_100000765723_100000090808 [0,2,0,0,0,0|2,0,0]=4 13728 B12R0.184 COC(=O)COCCOCC(=O)C 34a_100000211253_100000090808 [0,2,0,0,0,0|1,0,1]=4 13729 B12R0.184 COC(=O)COCCOCC(C)Br 34a_100012180447_100000090808 [0,2,0,0,0,0|1,0,0]=3 13730 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000210257_100000090808 [0,2,0,0,0,0|1,0,0]=3 13731 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000703358_100000747449 [0,2,0,0,0,0|1,0,0]=3 13732 B12R0.184 COC(=O)COCCOCC(C)C 7a_100000703358_100000747449 [0,2,0,0,0,0|1,0,0]=3 13733 B12R0.184 COC(=O)COCCOCC(C)F 34a_100015925927_100000090808 [0,2,0,0,0,0|1,0,0]=3 13734 B12R0.184 COC(=O)COCCOCC(F)F 34a_100000704375_100000747449 [0,2,0,0,0,0|2,0,0]=4 13735 B12R0.184 COC(=O)COCCOCC(F)F 34a_100000743014_100000090808 [0,2,0,0,0,0|2,0,0]=4 13736 B12R0.184 COC(=O)COCCOCC(F)F 7a_100000704375_100000747449 [0,2,0,0,0,0|2,0,0]=4 13737 B12R0.184 COC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000090808 [0,2,0,0,0,0|1,0,0]=3 13738 B12R0.184 COC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000090808 [0,2,0,0,0,0|1,0,0]=3 13739 B12R0.184 COC(=O)COCCSCC(C)C 34a_200000230437_100000747449 [0,2,0,0,0,0|1,0,0]=3 13740 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000090808_100000210760 [0,2,0,0,0,0|1,0,0]=3 13741 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000210624_100000090808 [0,2,0,0,0,0|1,0,0]=3 13742 B12R0.184 COC(=O)COCCSCC(C)C 7a_200000230437_100000747449 [0,2,0,0,0,0|1,0,0]=3 13743 B12R0.184 COC(=O)COCCSCC(C)O 62a_100000090808_100011218427 [0,2,0,0,0,0|1,0,0]=3 13744 B12R0.184 COC(=O)COCCSCC(C)O 62a_100011218427_100000090808 [0,2,0,0,0,0|1,0,0]=3 13745 B12R0.184 COC(=O)COCCSCC(F)F 62a_100000090808_100011934356 [0,2,0,0,0,0|2,0,0]=4 13746 B12R0.184 COC(=O)COCCSCC(F)F 62a_100011934356_100000090808 [0,2,0,0,0,0|2,0,0]=4 13747 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100000090808_100009817552 [0,2,0,0,0,0|1,0,0]=3 13748 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000090808 [0,2,0,0,0,0|1,0,0]=3 13749 B12R0.184 COC(=O)CSCCCCB(O)O 62a_100000747449_200009817182 [0,2,0,0,0,0|2,0,0]=4 13750 B12R0.184 COC(=O)CSCCCCB(O)O 62a_200009817182_100000747449 [0,2,0,0,0,0|2,0,0]=4 13751 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,2,0,0,0,0|0,0,1]=3 13752 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,2,0,0,0,0|0,0,1]=3 13753 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,2,0,0,0,0|0,0,0]=2 13754 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,2,0,0,0,0|0,0,0]=2 13755 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [0,2,0,0,0,0|1,0,0]=3 13756 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000042594_100000747449 [0,2,0,0,0,0|1,0,1]=4 13757 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000747449_100000042594 [0,2,0,0,0,0|1,0,1]=4 13758 B12R0.184 COC(=O)CSCCCOC(=S)C 62a_100000747449_200135323944 [0,2,0,0,0,0|1,0,1]=4 13759 B12R0.184 COC(=O)CSCCCOC(=S)C 62a_200135323944_100000747449 [0,2,0,0,0,0|1,0,1]=4 13760 B12R0.184 COC(=O)CSCCCSC(=O)C 62a_100000038929_100000747449 [0,2,0,0,0,0|1,0,1]=4 13761 B12R0.184 COC(=O)CSCCCSC(=O)C 62a_100000747449_100000038929 [0,2,0,0,0,0|1,0,1]=4 13762 B12R0.184 COC(=O)CSCCOCC(F)F 62a_100000747449_200012177212 [0,2,0,0,0,0|2,0,0]=4 13763 B12R0.184 COC(=O)CSCCOCC(F)F 62a_200012177212_100000747449 [0,2,0,0,0,0|2,0,0]=4 13764 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [0,2,0,0,0,0|1,0,0]=3 13765 B12R0.184 COC(=O)NCCOCCC(C)O 34a_100000757965_100012276601 [0,2,0,0,0,0|1,0,0]=3 13766 B12R0.184 COC(=O)NCCOCOC(C)C 34a_100000757965_100000709892 [0,2,0,0,0,0|2,0,0]=4 13767 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [0,2,0,0,0,0|1,0,0]=3 13768 B12R0.184 COC(=O)OCCOCCC(C)O 34a_100010262106_100012276601 [0,2,0,0,0,0|1,0,0]=3 13769 B12R0.184 COC(=O)OCCOCOC(C)C 34a_100010262106_100000709892 [0,2,0,0,0,0|2,0,0]=4 13770 B12R0.184 COC(=O)OCSCCCC(=O)C 62a_100011215641_100000139417 [0,2,0,0,0,0|1,0,1]=4 13771 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [0,2,0,0,0,0|1,0,0]=3 13772 B12R0.184 COC(=O)OCSCCCC(C)O 62a_200000718107_100000139417 [0,2,0,0,0,0|1,0,0]=3 13773 B12R0.184 COC(=O)OCSCCOC(C)C 62a_100000211751_100000139417 [0,2,0,0,0,0|2,0,0]=4 13774 B12R0.184 COC(=O)OCSCCSC(C)C 62a_100000730970_100000139417 [0,2,0,0,0,0|2,0,0]=4 13775 B12R0.184 COC(C)CCOCCCC(C)C 7a_100000764861_100011214892 [0,2,0,0,0,0|1,0,1]=4 13776 B12R0.184 COC(C)CCOCCCC(C)O 7a_100000764861_200000718107 [0,2,0,0,0,0|1,0,1]=4 13777 B12R0.184 COC(C)COCCCCC(C)C 34a_100000690652_100011216152 [0,2,0,0,0,0|1,0,1]=4 13778 B12R0.184 COC(C)SCCCCCC(C)C 62a_100000210682_100009879195 [0,2,0,0,0,0|1,0,1]=4 13779 B12R0.184 COC(C)SCCCCCC(C)C 62a_100009879195_100000210682 [0,2,0,0,0,0|1,0,1]=4 13780 B12R0.184 CO[C@H](C)CNCCCCC(C)C 2230a_100020591295_100011216152 [0,2,0,0,0,0|1,0,1]=4 13781 B12R0.248 C#CC(=O)CCCC#CCCCC 1458a_100000211873_200000047210 [0,2,0,0,0,0|1,0,1]=4 13782 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,2,0,0,0,0|1,0,1]=4 13783 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,2,0,0,0,0|1,0,1]=4 13784 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,2,0,0,0,0|1,0,1]=4 13785 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,2,0,0,0,0|1,0,1]=4 13786 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,2,0,0,0,0|1,0,1]=4 13787 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,2,0,0,0,0|1,0,0]=3 13788 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,2,0,0,0,0|1,0,0]=3 13789 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,2,0,0,0,0|2,0,0]=4 13790 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,2,0,0,0,0|2,0,0]=4 13791 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,2,0,0,0,0|1,0,0]=3 13792 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 13793 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 13794 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 13795 B12R0.248 C#CCCCCCNCC(=O)NC 2230a_100000693194_100012094781 [0,2,0,0,0,0|1,0,1]=4 13796 B12R0.248 C#CCCCCCOCC(=O)CC 34a_100000725409_100012094781 [0,2,0,0,0,0|1,0,1]=4 13797 B12R0.248 C#CCCCCCOCC(=O)CC 7a_100000766912_100000747405 [0,2,0,0,0,0|1,0,1]=4 13798 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000750040_100012094781 [0,2,0,0,0,0|1,0,1]=4 13799 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000766912_100000183359 [0,2,0,0,0,0|1,0,1]=4 13800 B12R0.248 C#CCCCCCOCC(=O)NC 7a_100000766912_100000183359 [0,2,0,0,0,0|1,0,1]=4 13801 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,2,0,0,0,0|0,0,1]=3 13802 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,2,0,0,0,0|0,0,1]=3 13803 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100000747405_100012094781 [0,2,0,0,0,0|1,0,1]=4 13804 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100012094781_100000747405 [0,2,0,0,0,0|1,0,1]=4 13805 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100000183359_100012094781 [0,2,0,0,0,0|1,0,1]=4 13806 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100012094781_100000183359 [0,2,0,0,0,0|1,0,1]=4 13807 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,2,0,0,0,0|0,0,1]=3 13808 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,2,0,0,0,0|0,0,1]=3 13809 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000706060_100000737683 [0,2,0,0,0,0|1,0,1]=4 13810 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000738227_100010269958 [0,2,0,0,0,0|1,0,1]=4 13811 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000706060_100012179268 [0,2,0,0,0,0|1,0,1]=4 13812 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000738227_100010269958 [0,2,0,0,0,0|1,0,1]=4 13813 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [0,2,0,0,0,0|0,0,1]=3 13814 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [0,2,0,0,0,0|0,0,1]=3 13815 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000754576_100010269958 [0,2,0,0,0,0|1,0,1]=4 13816 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000766709_100012179268 [0,2,0,0,0,0|1,0,1]=4 13817 B12R0.248 C#CCCCCOCCC(=O)NC 7a_100000766709_100000737683 [0,2,0,0,0,0|1,0,1]=4 13818 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [0,2,0,0,0,0|0,0,1]=3 13819 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [0,2,0,0,0,0|0,0,1]=3 13820 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100000737683_100010269958 [0,2,0,0,0,0|1,0,1]=4 13821 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100010269958_100000737683 [0,2,0,0,0,0|1,0,1]=4 13822 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [0,2,0,0,0,0|0,0,1]=3 13823 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [0,2,0,0,0,0|0,0,1]=3 13824 B12R0.248 C#CCCCCSCOC(=O)OC 62a_100010269958_100000139417 [0,2,0,0,0,0|0,0,2]=4 13825 B12R0.248 C#CCCCNCCCC(=O)NC 2230a_100000740002_100000731252 [0,2,0,0,0,0|1,0,1]=4 13826 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000718082_100000741757 [0,2,0,0,0,0|1,0,1]=4 13827 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000740002_100000695029 [0,2,0,0,0,0|1,0,1]=4 13828 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [0,2,0,0,0,0|0,0,1]=3 13829 B12R0.248 C#CCCCOCCCC(=O)NC 34a_100000215630_100000741757 [0,2,0,0,0,0|1,0,1]=4 13830 B12R0.248 C#CCCCOCCCC(=O)NC 7a_100000215630_100000741757 [0,2,0,0,0,0|1,0,1]=4 13831 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [0,2,0,0,0,0|0,0,1]=3 13832 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [0,2,0,0,0,0|0,0,1]=3 13833 B12R0.248 C#CCCCOCCNC(=O)OC 34a_100000757965_100000695029 [0,2,0,0,0,0|0,0,2]=4 13834 B12R0.248 C#CCCCOCCOC(=O)OC 34a_100010262106_100000695029 [0,2,0,0,0,0|0,0,2]=4 13835 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100000741757_100011215417 [0,2,0,0,0,0|1,0,1]=4 13836 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100011215417_100000741757 [0,2,0,0,0,0|1,0,1]=4 13837 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [0,2,0,0,0,0|0,0,1]=3 13838 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [0,2,0,0,0,0|0,0,1]=3 13839 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [0,2,0,0,0,0|0,0,1]=3 13840 B12R0.248 C#CCCNCCOCC(=O)OC 34a_100000755551_100000090808 [0,2,0,0,0,0|0,0,2]=4 13841 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [0,2,0,0,0,0|0,0,1]=3 13842 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [0,2,0,0,0,0|0,0,1]=3 13843 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [0,2,0,0,0,0|0,0,1]=3 13844 B12R0.248 C#CCCOCCOCC(=O)OC 34a_100011215631_100000090808 [0,2,0,0,0,0|0,0,2]=4 13845 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [0,2,0,0,0,0|0,0,1]=3 13846 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [0,2,0,0,0,0|0,0,1]=3 13847 B12R0.248 C#CCCSCCOCC(=O)OC 62a_100000090808_100000688953 [0,2,0,0,0,0|0,0,2]=4 13848 B12R0.248 C#CCCSCCOCC(=O)OC 62a_100000688953_100000090808 [0,2,0,0,0,0|0,0,2]=4 13849 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [0,2,0,0,0,0|0,0,1]=3 13850 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [0,2,0,0,0,0|0,0,1]=3 13851 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [0,2,0,0,0,0|0,0,1]=3 13852 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [0,2,0,0,0,0|0,0,1]=3 13853 B12R0.248 C#CCOCCNCCC(=O)OC 2230a_100000700922_100000204255 [0,2,0,0,0,0|0,0,2]=4 13854 B12R0.248 C#CCOCCNCCC(=O)OC 34a_100000700922_100000742370 [0,2,0,0,0,0|0,0,2]=4 13855 B12R0.248 C#CCOCCOCCC(=O)OC 34a_100000054580_100000742370 [0,2,0,0,0,0|0,0,2]=4 13856 B12R0.248 C#CCOCCOCCC(=O)OC 7a_100000054580_100000204255 [0,2,0,0,0,0|0,0,2]=4 13857 B12R0.248 C#CCOCCSCCC(=O)OC 62a_100000204255_100010402529 [0,2,0,0,0,0|0,0,2]=4 13858 B12R0.248 C#CCOCCSCCC(=O)OC 62a_100010402529_100000204255 [0,2,0,0,0,0|0,0,2]=4 13859 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [0,2,0,0,0,0|0,0,1]=3 13860 B12R0.248 C/C=C/CCOCCCC(=O)NC 34a_100016278192_100000741757 [0,2,0,0,0,0|1,0,1]=4 13861 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [0,2,0,0,0,0|0,0,1]=3 13862 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [0,2,0,0,0,0|0,0,1]=3 13863 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [0,2,0,0,0,0|0,0,1]=3 13864 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [0,2,0,0,0,0|0,0,1]=3 13865 B12R0.248 C/C=C/COCCOCC(=O)OC 34a_100016270725_100000090808 [0,2,0,0,0,0|0,0,2]=4 13866 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [0,2,0,0,0,0|0,0,1]=3 13867 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [0,2,0,0,0,0|0,0,1]=3 13868 B12R0.248 C/C=C/CSCCOCC(=O)OC 62a_100000090808_100102629194 [0,2,0,0,0,0|0,0,2]=4 13869 B12R0.248 C/C=C/CSCCOCC(=O)OC 62a_100102629194_100000090808 [0,2,0,0,0,0|0,0,2]=4 13870 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,2,0,0,0,0|1,0,1]=4 13871 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,2,0,0,0,0|1,0,1]=4 13872 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,2,0,0,0,0|1,0,1]=4 13873 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,2,0,0,0,0|1,0,1]=4 13874 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,2,0,0,0,0|1,0,1]=4 13875 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,2,0,0,0,0|1,0,1]=4 13876 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,2,0,0,0,0|1,0,1]=4 13877 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,2,0,0,0,0|1,0,1]=4 13878 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,2,0,0,0,0|1,0,1]=4 13879 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,2,0,0,0,0|1,0,1]=4 13880 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,2,0,0,0,0|1,0,1]=4 13881 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,2,0,0,0,0|1,0,1]=4 13882 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,2,0,0,0,0|1,0,1]=4 13883 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,2,0,0,0,0|1,0,1]=4 13884 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,2,0,0,0,0|1,0,1]=4 13885 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,2,0,0,0,0|1,0,1]=4 13886 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,2,0,0,0,0|1,0,1]=4 13887 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,2,0,0,0,0|1,0,1]=4 13888 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,2,0,0,0,0|1,0,1]=4 13889 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,2,0,0,0,0|1,0,1]=4 13890 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,2,0,0,0,0|1,0,1]=4 13891 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,2,0,0,0,0|1,0,1]=4 13892 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,2,0,0,0,0|1,0,1]=4 13893 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,2,0,0,0,0|1,0,1]=4 13894 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,2,0,0,0,0|1,0,1]=4 13895 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,2,0,0,0,0|1,0,1]=4 13896 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,2,0,0,0,0|1,0,0]=3 13897 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,2,0,0,0,0|1,0,0]=3 13898 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,2,0,0,0,0|2,0,0]=4 13899 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,2,0,0,0,0|2,0,0]=4 13900 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,2,0,0,0,0|1,0,0]=3 13901 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 13902 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 13903 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 13904 B12R0.248 C=CCCCCCNCC(=O)NC 2230a_100000693194_100000700193 [0,2,0,0,0,0|1,0,1]=4 13905 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,2,0,0,0,0|1,0,1]=4 13906 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,2,0,0,0,0|1,0,1]=4 13907 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100000750040_100000700193 [0,2,0,0,0,0|1,0,1]=4 13908 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100011216702_100000183359 [0,2,0,0,0,0|1,0,1]=4 13909 B12R0.248 C=CCCCCCOCC(=O)NC 7a_100011216702_100000183359 [0,2,0,0,0,0|1,0,1]=4 13910 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,2,0,0,0,0|0,0,1]=3 13911 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,2,0,0,0,0|0,0,1]=3 13912 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [0,2,0,0,0,0|1,0,1]=4 13913 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [0,2,0,0,0,0|1,0,1]=4 13914 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000183359_100000700193 [0,2,0,0,0,0|1,0,1]=4 13915 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000700193_100000183359 [0,2,0,0,0,0|1,0,1]=4 13916 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,2,0,0,0,0|0,0,1]=3 13917 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,2,0,0,0,0|0,0,1]=3 13918 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000703577_100000737683 [0,2,0,0,0,0|1,0,1]=4 13919 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000738227_100011215482 [0,2,0,0,0,0|1,0,1]=4 13920 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000703577_100012179268 [0,2,0,0,0,0|1,0,1]=4 13921 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000738227_100011215482 [0,2,0,0,0,0|1,0,1]=4 13922 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [0,2,0,0,0,0|0,0,1]=3 13923 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [0,2,0,0,0,0|0,0,1]=3 13924 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000754576_100011215482 [0,2,0,0,0,0|1,0,1]=4 13925 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000766645_100012179268 [0,2,0,0,0,0|1,0,1]=4 13926 B12R0.248 C=CCCCCOCCC(=O)NC 7a_100000766645_100000737683 [0,2,0,0,0,0|1,0,1]=4 13927 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [0,2,0,0,0,0|0,0,1]=3 13928 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [0,2,0,0,0,0|0,0,1]=3 13929 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100000737683_100011215482 [0,2,0,0,0,0|1,0,1]=4 13930 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100011215482_100000737683 [0,2,0,0,0,0|1,0,1]=4 13931 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [0,2,0,0,0,0|0,0,1]=3 13932 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [0,2,0,0,0,0|0,0,1]=3 13933 B12R0.248 C=CCCCCSCOC(=O)OC 62a_100011215482_100000139417 [0,2,0,0,0,0|0,0,2]=4 13934 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000700776_100000741757 [0,2,0,0,0,0|1,0,1]=4 13935 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000740002_100011713584 [0,2,0,0,0,0|1,0,1]=4 13936 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000700776_100000741757 [0,2,0,0,0,0|1,0,1]=4 13937 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000740002_100000757094 [0,2,0,0,0,0|1,0,1]=4 13938 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [0,2,0,0,0,0|0,0,1]=3 13939 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [0,2,0,0,0,0|0,0,1]=3 13940 B12R0.248 C=CCCCOCCCC(=O)NC 34a_100000758997_100000741757 [0,2,0,0,0,0|1,0,1]=4 13941 B12R0.248 C=CCCCOCCCC(=O)NC 7a_100000758997_100000741757 [0,2,0,0,0,0|1,0,1]=4 13942 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [0,2,0,0,0,0|0,0,1]=3 13943 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [0,2,0,0,0,0|0,0,1]=3 13944 B12R0.248 C=CCCCOCCNC(=O)OC 34a_100000757965_100000757094 [0,2,0,0,0,0|0,0,2]=4 13945 B12R0.248 C=CCCCOCCOC(=O)OC 34a_100010262106_100000757094 [0,2,0,0,0,0|0,0,2]=4 13946 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100000741757_100000757094 [0,2,0,0,0,0|1,0,1]=4 13947 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100011713584_100000741757 [0,2,0,0,0,0|1,0,1]=4 13948 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [0,2,0,0,0,0|0,0,1]=3 13949 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [0,2,0,0,0,0|0,0,1]=3 13950 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [0,2,0,0,0,0|0,0,1]=3 13951 B12R0.248 C=CCCNCCOCC(=O)OC 2230a_100015191253_100000090808 [0,2,0,0,0,0|0,0,2]=4 13952 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [0,2,0,0,0,0|0,0,1]=3 13953 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [0,2,0,0,0,0|0,0,1]=3 13954 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [0,2,0,0,0,0|0,0,1]=3 13955 B12R0.248 C=CCCOCCOCC(=O)OC 34a_100011205117_100000090808 [0,2,0,0,0,0|0,0,2]=4 13956 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [0,2,0,0,0,0|0,0,1]=3 13957 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [0,2,0,0,0,0|0,0,1]=3 13958 B12R0.248 C=CCCSCCOCC(=O)OC 62a_100000090808_100000754431 [0,2,0,0,0,0|0,0,2]=4 13959 B12R0.248 C=CCCSCCOCC(=O)OC 62a_100000754431_100000090808 [0,2,0,0,0,0|0,0,2]=4 13960 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [0,2,0,0,0,0|0,0,1]=3 13961 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [0,2,0,0,0,0|0,0,1]=3 13962 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [0,2,0,0,0,0|0,0,1]=3 13963 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [0,2,0,0,0,0|0,0,1]=3 13964 B12R0.248 C=CCOCCOCCC(=O)OC 34a_100000037705_100000742370 [0,2,0,0,0,0|0,0,2]=4 13965 B12R0.248 C=CCOCCOCCC(=O)OC 7a_100000037705_100000204255 [0,2,0,0,0,0|0,0,2]=4 13966 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [0,2,0,0,0,0|0,0,1]=3 13967 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [0,2,0,0,0,0|0,0,1]=3 13968 B12R0.248 C=COCCCCOCC(=O)OC 34a_100000031558_100000747449 [0,2,0,0,0,0|0,0,2]=4 13969 B12R0.248 C=COCCCCOCC(=O)OC 7a_100000031558_100000747449 [0,2,0,0,0,0|0,0,2]=4 13970 B12R0.248 C=COCCCNCCC(=O)OC 2230a_100000210767_100000204255 [0,2,0,0,0,0|0,0,2]=4 13971 B12R0.248 C=COCCCNCCC(=O)OC 34a_100000210767_100000742370 [0,2,0,0,0,0|0,0,2]=4 13972 B12R0.248 C=COCCOCCCC(=O)OC 34a_100000033082_100000742333 [0,2,0,0,0,0|0,0,2]=4 13973 B12R0.248 C=COCCSCCCC(=O)OC 62a_100000039644_100011218270 [0,2,0,0,0,0|0,0,2]=4 13974 B12R0.248 C=COCCSCCCC(=O)OC 62a_100011218270_100000039644 [0,2,0,0,0,0|0,0,2]=4 13975 B12R0.248 CC#CCCOCCCC(=O)NC 34a_100000750427_100000741757 [0,2,0,0,0,0|1,0,1]=4 13976 B12R0.248 CC#CCCOCCCC(=O)OC 34a_100000750427_100000742333 [0,2,0,0,0,0|0,0,1]=3 13977 B12R0.248 CC#CCNCCCCC(=O)OC 2230a_100000685387_100000204269 [0,2,0,0,0,0|0,0,1]=3 13978 B12R0.248 CC#CCNCCCCC(=O)OC 34a_100000685387_100000204269 [0,2,0,0,0,0|0,0,1]=3 13979 B12R0.248 CC#CCNCCOCC(=O)OC 2230a_100000685387_100000090808 [0,2,0,0,0,0|0,0,2]=4 13980 B12R0.248 CC#CCNCCOCC(=O)OC 34a_100000685387_100000090808 [0,2,0,0,0,0|0,0,2]=4 13981 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000059025_100000748600 [0,2,0,0,0,0|0,0,1]=3 13982 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000761923_100000204269 [0,2,0,0,0,0|0,0,1]=3 13983 B12R0.248 CC#CCOCCCCC(=O)OC 7a_100000059025_100000748600 [0,2,0,0,0,0|0,0,1]=3 13984 B12R0.248 CC#CCOCCOCC(=O)OC 34a_100000761923_100000090808 [0,2,0,0,0,0|0,0,2]=4 13985 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000204269_100000748600 [0,2,0,0,0,0|0,0,1]=3 13986 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000748600_100000204269 [0,2,0,0,0,0|0,0,1]=3 13987 B12R0.248 CC#CCSCCOCC(=O)OC 62a_100000090808_100000748600 [0,2,0,0,0,0|0,0,2]=4 13988 B12R0.248 CC#CCSCCOCC(=O)OC 62a_100000748600_100000090808 [0,2,0,0,0,0|0,0,2]=4 13989 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [0,2,0,0,0,0|1,0,1]=4 13990 B12R0.248 CC/C=C/CCCOCC(=O)NC 34a_100016287902_100000183359 [0,2,0,0,0,0|1,0,1]=4 13991 B12R0.248 CC/C=C/CCCOCC(=O)NC 7a_100016287902_100000183359 [0,2,0,0,0,0|1,0,1]=4 13992 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,2,0,0,0,0|0,0,1]=3 13993 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,2,0,0,0,0|0,0,1]=3 13994 B12R0.248 CC/C=C\CCNCCC(=O)NC 2230a_100000738227_100015370543 [0,2,0,0,0,0|1,0,1]=4 13995 B12R0.248 CC/C=C\CCNCCC(=O)NC 34a_100000738227_100015370543 [0,2,0,0,0,0|1,0,1]=4 13996 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100000754576_100015370543 [0,2,0,0,0,0|1,0,1]=4 13997 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100016288707_100012179268 [0,2,0,0,0,0|1,0,1]=4 13998 B12R0.248 CC/C=C\CCOCCC(=O)NC 7a_100016288707_100000737683 [0,2,0,0,0,0|1,0,1]=4 13999 B12R0.248 CC/C=C\CCOCCC(=O)OC 34a_100016288707_100000742370 [0,2,0,0,0,0|0,0,1]=3 14000 B12R0.248 CC/C=C\CCOCCC(=O)OC 7a_100016288707_100000204255 [0,2,0,0,0,0|0,0,1]=3 14001 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100000737683_100015370543 [0,2,0,0,0,0|1,0,1]=4 14002 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100015370543_100000737683 [0,2,0,0,0,0|1,0,1]=4 14003 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [0,2,0,0,0,0|0,0,1]=3 14004 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [0,2,0,0,0,0|0,0,1]=3 14005 B12R0.248 CC/C=C\CCSCOC(=O)OC 62a_100015370543_100000139417 [0,2,0,0,0,0|0,0,2]=4 14006 B12R0.248 CC/C=C\CNCCCC(=O)NC 2230a_100000740002_100103147603 [0,2,0,0,0,0|1,0,1]=4 14007 B12R0.248 CC/C=C\CNCCCC(=O)NC 34a_100000740002_100103147603 [0,2,0,0,0,0|1,0,1]=4 14008 B12R0.248 CC/C=C\COCCCC(=O)NC 34a_100016268518_100000741757 [0,2,0,0,0,0|1,0,1]=4 14009 B12R0.248 CC/C=C\COCCCC(=O)OC 34a_100016268518_100000742333 [0,2,0,0,0,0|0,0,1]=3 14010 B12R0.248 CC/C=C\COCCNC(=O)OC 34a_100000757965_100103147603 [0,2,0,0,0,0|0,0,2]=4 14011 B12R0.248 CC/C=C\COCCOC(=O)OC 34a_100010262106_100103147603 [0,2,0,0,0,0|0,0,2]=4 14012 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100000741757_100103147603 [0,2,0,0,0,0|1,0,1]=4 14013 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100103147603_100000741757 [0,2,0,0,0,0|1,0,1]=4 14014 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100011218270_100103147603 [0,2,0,0,0,0|0,0,1]=3 14015 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100103147603_100011218270 [0,2,0,0,0,0|0,0,1]=3 14016 B12R0.248 CC=C=CCCOCCC(=O)OC 34a_100011020354_100000742370 [0,2,0,0,0,0|0,0,2]=4 14017 B12R0.248 CC=CCCCOCCC(=O)NC 34a_100020645299_100012179268 [0,2,0,0,0,0|1,0,1]=4 14018 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [0,2,0,0,0,0|0,0,1]=3 14019 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [0,2,0,0,0,0|0,0,1]=3 14020 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [0,2,0,0,0,0|0,0,1]=3 14021 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [0,2,0,0,0,0|0,0,1]=3 14022 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [0,2,0,0,0,0|0,0,1]=3 14023 B12R0.248 CC=CCSCCOCC(=O)OC 62a_100000070051_100000090808 [0,2,0,0,0,0|0,0,2]=4 14024 B12R0.248 CC=CCSCCOCC(=O)OC 62a_100000090808_100000070051 [0,2,0,0,0,0|0,0,2]=4 14025 B12R0.248 CCC#CCCOCCC(=O)NC 34a_100000036655_100012179268 [0,2,0,0,0,0|1,0,1]=4 14026 B12R0.248 CCC#CCCOCCC(=O)NC 7a_100000036655_100000737683 [0,2,0,0,0,0|1,0,1]=4 14027 B12R0.248 CCC#CCCOCCC(=O)OC 34a_100000036655_100000742370 [0,2,0,0,0,0|0,0,1]=3 14028 B12R0.248 CCC#CCCOCCC(=O)OC 7a_100000036655_100000204255 [0,2,0,0,0,0|0,0,1]=3 14029 B12R0.248 CCC#CCNCCCC(=O)NC 2230a_100000740002_100009813939 [0,2,0,0,0,0|1,0,1]=4 14030 B12R0.248 CCC#CCNCCCC(=O)NC 34a_100000740002_100009813939 [0,2,0,0,0,0|1,0,1]=4 14031 B12R0.248 CCC#CCOCCCC(=O)NC 34a_100000032950_100000741757 [0,2,0,0,0,0|1,0,1]=4 14032 B12R0.248 CCC#CCOCCCC(=O)OC 34a_100000032950_100000742333 [0,2,0,0,0,0|0,0,1]=3 14033 B12R0.248 CCC#CCOCCNC(=O)OC 34a_100000757965_100009813939 [0,2,0,0,0,0|0,0,2]=4 14034 B12R0.248 CCC#CCOCCOC(=O)OC 34a_100010262106_100009813939 [0,2,0,0,0,0|0,0,2]=4 14035 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100000741757_100009813939 [0,2,0,0,0,0|1,0,1]=4 14036 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100009813939_100000741757 [0,2,0,0,0,0|1,0,1]=4 14037 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100009813939_100011218270 [0,2,0,0,0,0|0,0,1]=3 14038 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100011218270_100009813939 [0,2,0,0,0,0|0,0,1]=3 14039 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|1,0,0]=3 14040 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100000210414_100000032323 [0,2,0,0,0,0|2,0,0]=4 14041 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100009915118_100000210202 [0,2,0,0,0,0|2,0,0]=4 14042 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|1,0,0]=3 14043 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|1,0,0]=3 14044 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|1,0,0]=3 14045 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|1,0,0]=3 14046 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|1,0,0]=3 14047 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [0,2,0,0,0,0|2,0,0]=4 14048 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [0,2,0,0,0,0|2,0,0]=4 14049 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [0,2,0,0,0,0|2,0,0]=4 14050 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100000747405_100009813376 [0,2,0,0,0,0|1,0,1]=4 14051 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100009813376_100000747405 [0,2,0,0,0,0|1,0,1]=4 14052 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [0,2,0,0,0,0|1,0,1]=4 14053 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [0,2,0,0,0,0|1,0,1]=4 14054 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|1,0,0]=3 14055 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|1,0,0]=3 14056 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|1,0,0]=3 14057 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|1,0,0]=3 14058 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000695917_100000747405 [0,2,0,0,0,0|2,0,0]=4 14059 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000747405_100000695917 [0,2,0,0,0,0|2,0,0]=4 14060 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|1,0,0]=3 14061 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,2,0,0,0,0|2,0,0]=4 14062 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [0,2,0,0,0,0|2,0,0]=4 14063 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [0,2,0,0,0,0|2,0,0]=4 14064 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [0,2,0,0,0,0|2,0,0]=4 14065 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,2,0,0,0,0|2,0,0]=4 14066 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [0,2,0,0,0,0|2,0,0]=4 14067 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [0,2,0,0,0,0|2,0,0]=4 14068 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [0,2,0,0,0,0|2,0,0]=4 14069 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,2,0,0,0,0|2,0,0]=4 14070 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,2,0,0,0,0|2,0,0]=4 14071 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [0,2,0,0,0,0|2,0,0]=4 14072 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [0,2,0,0,0,0|2,0,0]=4 14073 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,2,0,0,0,0|2,0,0]=4 14074 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,2,0,0,0,0|2,0,0]=4 14075 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,2,0,0,0,0|2,0,0]=4 14076 B12R0.248 CCC/C=C/COCCC(=O)NC 34a_100016278788_100012179268 [0,2,0,0,0,0|1,0,1]=4 14077 B12R0.248 CCC/C=C/COCCC(=O)NC 7a_100016278788_100000737683 [0,2,0,0,0,0|1,0,1]=4 14078 B12R0.248 CCC/C=C/COCCC(=O)OC 34a_100016278788_100000742370 [0,2,0,0,0,0|0,0,1]=3 14079 B12R0.248 CCC/C=C/COCCC(=O)OC 7a_100016278788_100000204255 [0,2,0,0,0,0|0,0,1]=3 14080 B12R0.248 CCCC#CCCOCC(=O)CC 7a_100000042726_100000747405 [0,2,0,0,0,0|1,0,1]=4 14081 B12R0.248 CCCC#CCCOCC(=O)NC 34a_100000042726_100000183359 [0,2,0,0,0,0|1,0,1]=4 14082 B12R0.248 CCCC#CCCOCC(=O)NC 7a_100000042726_100000183359 [0,2,0,0,0,0|1,0,1]=4 14083 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,2,0,0,0,0|0,0,1]=3 14084 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,2,0,0,0,0|0,0,1]=3 14085 B12R0.248 CCCC#CCOCCC(=O)NC 34a_100000034806_100012179268 [0,2,0,0,0,0|1,0,1]=4 14086 B12R0.248 CCCC#CCOCCC(=O)NC 7a_100000034806_100000737683 [0,2,0,0,0,0|1,0,1]=4 14087 B12R0.248 CCCC#CCOCCC(=O)OC 34a_100000034806_100000742370 [0,2,0,0,0,0|0,0,1]=3 14088 B12R0.248 CCCC#CCOCCC(=O)OC 7a_100000034806_100000204255 [0,2,0,0,0,0|0,0,1]=3 14089 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [0,2,0,0,0,0|1,0,1]=4 14090 B12R0.248 CCCC/C=C/COCC(=O)NC 34a_200016272032_100000183359 [0,2,0,0,0,0|1,0,1]=4 14091 B12R0.248 CCCC/C=C/COCC(=O)NC 7a_200016272032_100000183359 [0,2,0,0,0,0|1,0,1]=4 14092 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,2,0,0,0,0|0,0,1]=3 14093 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,2,0,0,0,0|0,0,1]=3 14094 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,2,0,0,0,0|1,0,0]=3 14095 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,2,0,0,0,0|2,0,0]=4 14096 B12R0.248 CCCCC#CCOCC(=O)CC 7a_200000034558_100000747405 [0,2,0,0,0,0|1,0,1]=4 14097 B12R0.248 CCCCC#CCOCC(=O)NC 34a_200000034558_100000183359 [0,2,0,0,0,0|1,0,1]=4 14098 B12R0.248 CCCCC#CCOCC(=O)NC 7a_200000034558_100000183359 [0,2,0,0,0,0|1,0,1]=4 14099 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,2,0,0,0,0|0,0,1]=3 14100 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,2,0,0,0,0|0,0,1]=3 14101 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|1,0,0]=3 14102 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|2,0,0]=4 14103 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|1,0,0]=3 14104 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 14105 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 14106 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 14107 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|1,0,0]=3 14108 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|2,0,0]=4 14109 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|1,0,0]=3 14110 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|1,0,0]=3 14111 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|1,0,0]=3 14112 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,2,0,0,0,0|1,0,1]=4 14113 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|1,0,0]=3 14114 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|2,0,0]=4 14115 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|1,0,0]=3 14116 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 14117 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 14118 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|1,0,0]=3 14119 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|1,0,0]=3 14120 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,2,0,0,0,0|2,0,0]=4 14121 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,2,0,0,0,0|2,0,0]=4 14122 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,2,0,0,0,0|1,0,0]=3 14123 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 14124 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 14125 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 14126 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,2,0,0,0,0|1,0,1]=4 14127 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,2,0,0,0,0|1,0,1]=4 14128 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,2,0,0,0,0|1,0,1]=4 14129 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,2,0,0,0,0|1,0,1]=4 14130 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 14131 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 14132 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 14133 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 14134 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,2,0,0,0,0|2,0,0]=4 14135 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,2,0,0,0,0|2,0,0]=4 14136 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,2,0,0,0,0|1,0,0]=3 14137 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 14138 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 14139 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 14140 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 14141 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,2,0,0,0,0|1,0,0]=3 14142 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,2,0,0,0,0|1,0,1]=4 14143 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,2,0,0,0,0|1,0,1]=4 14144 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,2,0,0,0,0|1,0,0]=3 14145 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,2,0,0,0,0|1,0,0]=3 14146 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|0,0,0]=2 14147 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,2,0,0,0,0|1,0,1]=4 14148 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|1,0,0]=3 14149 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|1,0,0]=3 14150 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 14151 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,2,0,0,0,0|1,0,0]=3 14152 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 14153 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|0,0,0]=2 14154 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|0,0,0]=2 14155 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,2,0,0,0,0|1,0,1]=4 14156 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|1,0,0]=3 14157 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|1,0,0]=3 14158 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,2,0,0,0,0|1,0,0]=3 14159 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,2,0,0,0,0|1,0,0]=3 14160 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|0,0,0]=2 14161 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|0,0,0]=2 14162 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,2,0,0,0,0|1,0,0]=3 14163 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 14164 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 14165 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|0,0,0]=2 14166 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,2,0,0,0,0|1,0,0]=3 14167 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,2,0,0,0,0|1,0,0]=3 14168 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,2,0,0,0,0|1,0,0]=3 14169 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|0,0,0]=2 14170 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|0,0,0]=2 14171 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,2,0,0,0,0|1,0,1]=4 14172 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,2,0,0,0,0|1,0,0]=3 14173 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,2,0,0,0,0|1,0,0]=3 14174 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|0,0,0]=2 14175 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|0,0,0]=2 14176 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,2,0,0,0,0|0,0,0]=2 14177 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,2,0,0,0,0|0,0,1]=3 14178 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,2,0,0,0,0|1,0,0]=3 14179 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,2,0,0,0,0|1,0,0]=3 14180 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,2,0,0,0,0|1,0,0]=3 14181 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|0,0,0]=2 14182 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,2,0,0,0,0|1,0,0]=3 14183 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,2,0,0,0,0|1,0,0]=3 14184 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,2,0,0,0,0|0,0,1]=3 14185 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,2,0,0,0,0|0,0,1]=3 14186 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,2,0,0,0,0|0,0,1]=3 14187 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 14188 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 14189 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,2,0,0,0,0|2,0,0]=4 14190 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|0,0,0]=2 14191 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|0,0,0]=2 14192 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,2,0,0,0,0|1,0,0]=3 14193 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,2,0,0,0,0|1,0,0]=3 14194 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,2,0,0,0,0|0,0,0]=2 14195 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|1,0,0]=3 14196 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,2,0,0,0,0|1,0,0]=3 14197 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,2,0,0,0,0|1,0,0]=3 14198 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,2,0,0,0,0|0,0,0]=2 14199 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,2,0,0,0,0|0,0,1]=3 14200 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,2,0,0,0,0|0,0,1]=3 14201 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,2,0,0,0,0|1,0,0]=3 14202 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,2,0,0,0,0|1,0,0]=3 14203 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|0,0,0]=2 14204 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|0,0,0]=2 14205 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,2,0,0,0,0|1,0,0]=3 14206 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,2,0,0,0,0|1,0,0]=3 14207 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|0,0,0]=2 14208 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|0,0,0]=2 14209 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,2,0,0,0,0|0,0,0]=2 14210 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,2,0,0,0,0|0,0,0]=2 14211 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,2,0,0,0,0|0,0,1]=3 14212 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|0,0,0]=2 14213 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|0,0,0]=2 14214 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|0,0,0]=2 14215 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|0,0,0]=2 14216 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,2,0,0,0,0|1,0,0]=3 14217 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,2,0,0,0,0|1,0,0]=3 14218 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,2,0,0,0,0|1,0,0]=3 14219 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,2,0,0,0,0|2,0,0]=4 14220 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,2,0,0,0,0|2,0,0]=4 14221 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,2,0,0,0,0|1,0,0]=3 14222 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,2,0,0,0,0|1,0,0]=3 14223 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,2,0,0,0,0|1,0,0]=3 14224 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,2,0,0,0,0|1,0,0]=3 14225 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,2,0,0,0,0|1,0,0]=3 14226 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,2,0,0,0,0|1,0,0]=3 14227 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,2,0,0,0,0|1,0,0]=3 14228 B12R0.248 CCCCOCCNC[C@@H](C)OC 2230a_100020591295_100000743108 [0,2,0,0,0,0|1,0,1]=4 14229 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|1,0,0]=3 14230 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|1,0,0]=3 14231 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|1,0,0]=3 14232 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,2,0,0,0,0|2,0,0]=4 14233 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,2,0,0,0,0|1,0,0]=3 14234 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 14235 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 14236 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,2,0,0,0,0|1,0,0]=3 14237 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,2,0,0,0,0|1,0,0]=3 14238 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 14239 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,2,0,0,0,0|1,0,0]=3 14240 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,2,0,0,0,0|0,0,0]=2 14241 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,2,0,0,0,0|0,0,0]=2 14242 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,2,0,0,0,0|0,0,0]=2 14243 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,2,0,0,0,0|0,0,0]=2 14244 B12R0.248 CCCCOCCOCC(C)OC 34a_100000690652_100000743108 [0,2,0,0,0,0|1,0,1]=4 14245 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,2,0,0,0,0|1,0,0]=3 14246 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,2,0,0,0,0|1,0,0]=3 14247 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,2,0,0,0,0|1,0,0]=3 14248 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,2,0,0,0,0|1,0,0]=3 14249 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,2,0,0,0,0|0,0,0]=2 14250 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,2,0,0,0,0|0,0,0]=2 14251 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,2,0,0,0,0|1,0,0]=3 14252 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,2,0,0,0,0|1,0,0]=3 14253 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,2,0,0,0,0|1,0,0]=3 14254 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,2,0,0,0,0|1,0,0]=3 14255 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,2,0,0,0,0|1,0,0]=3 14256 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,2,0,0,0,0|0,0,0]=2 14257 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,2,0,0,0,0|0,0,0]=2 14258 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,2,0,0,0,0|1,0,0]=3 14259 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|0,0,0]=2 14260 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|0,0,0]=2 14261 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,2,0,0,0,0|1,0,0]=3 14262 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,2,0,0,0,0|0,0,0]=2 14263 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|1,0,0]=3 14264 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,2,0,0,0,0|1,0,0]=3 14265 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,2,0,0,0,0|1,0,0]=3 14266 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,2,0,0,0,0|0,0,0]=2 14267 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,2,0,0,0,0|0,0,0]=2 14268 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,2,0,0,0,0|0,0,0]=2 14269 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,2,0,0,0,0|0,0,0]=2 14270 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [0,2,0,0,0,0|0,0,1]=3 14271 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|0,0,0]=2 14272 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|0,0,0]=2 14273 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|0,0,0]=2 14274 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,2,0,0,0,0|1,0,0]=3 14275 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,2,0,0,0,0|1,0,0]=3 14276 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,2,0,0,0,0|0,0,0]=2 14277 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,2,0,0,0,0|0,0,0]=2 14278 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,2,0,0,0,0|1,0,0]=3 14279 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,2,0,0,0,0|1,0,0]=3 14280 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,2,0,0,0,0|1,0,0]=3 14281 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,2,0,0,0,0|1,0,0]=3 14282 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,2,0,0,0,0|0,0,0]=2 14283 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,2,0,0,0,0|0,0,0]=2 14284 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,2,0,0,0,0|1,0,0]=3 14285 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,2,0,0,0,0|1,0,0]=3 14286 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,2,0,0,0,0|1,0,0]=3 14287 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,2,0,0,0,0|0,0,0]=2 14288 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,2,0,0,0,0|0,0,0]=2 14289 B12R0.248 CCCOCCOCCC(C)OC 7a_100000764861_100011215938 [0,2,0,0,0,0|1,0,1]=4 14290 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,2,0,0,0,0|1,0,0]=3 14291 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,2,0,0,0,0|1,0,0]=3 14292 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,2,0,0,0,0|0,0,0]=2 14293 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,2,0,0,0,0|0,0,0]=2 14294 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,2,0,0,0,0|1,0,0]=3 14295 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|0,0,0]=2 14296 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|0,0,0]=2 14297 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,2,0,0,0,0|1,0,0]=3 14298 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,2,0,0,0,0|0,0,0]=2 14299 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,2,0,0,0,0|1,0,0]=3 14300 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,2,0,0,0,0|1,0,0]=3 14301 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,2,0,0,0,0|0,0,0]=2 14302 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,2,0,0,0,0|0,0,0]=2 14303 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|0,0,0]=2 14304 B12R0.248 CCNN=CCCCCC(=O)OC 4a_100000756455_100000052768 [0,2,0,0,0,0|0,0,1]=3 14305 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|0,0,0]=2 14306 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|0,0,0]=2 14307 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|0,0,0]=2 14308 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,2,0,0,0,0|1,0,0]=3 14309 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,2,0,0,0,0|1,0,0]=3 14310 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,2,0,0,0,0|1,0,0]=3 14311 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,2,0,0,0,0|1,0,0]=3 14312 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,2,0,0,0,0|0,0,0]=2 14313 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,2,0,0,0,0|0,0,0]=2 14314 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,2,0,0,0,0|1,0,0]=3 14315 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,2,0,0,0,0|1,0,0]=3 14316 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,2,0,0,0,0|1,0,0]=3 14317 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,2,0,0,0,0|0,0,0]=2 14318 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,2,0,0,0,0|0,0,0]=2 14319 B12R0.248 CCOCCCOCCC(C)OC 7a_100000764861_100012232248 [0,2,0,0,0,0|1,0,1]=4 14320 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,2,0,0,0,0|1,0,0]=3 14321 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,2,0,0,0,0|1,0,0]=3 14322 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,2,0,0,0,0|0,0,0]=2 14323 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,2,0,0,0,0|0,0,0]=2 14324 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,2,0,0,0,0|1,0,0]=3 14325 B12R0.248 CCOCCNC/C=C/C(=O)OC 2230a_102516460346_100000742655 [0,2,0,0,0,0|0,0,2]=4 14326 B12R0.248 CCOCCNC/C=C/C(=O)OC 34a_102516460346_100000742655 [0,2,0,0,0,0|0,0,2]=4 14327 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,2,0,0,0,0|1,0,0]=3 14328 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,2,0,0,0,0|1,0,0]=3 14329 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,2,0,0,0,0|1,0,0]=3 14330 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,2,0,0,0,0|1,0,0]=3 14331 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,2,0,0,0,0|0,0,0]=2 14332 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,2,0,0,0,0|0,0,0]=2 14333 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [0,2,0,0,0,0|2,0,0]=4 14334 B12R0.248 CCOCCNCCNC(=O)NC 34a_100015205895_100000210147 [0,2,0,0,0,0|2,0,0]=4 14335 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [0,2,0,0,0,0|2,0,0]=4 14336 B12R0.248 CCOCCNN=CCC(=O)OC 4a_100000732670_200011552997 [0,2,0,0,0,0|1,0,1]=4 14337 B12R0.248 CCOCCOC/C=C/C(=O)OC 34a_100000210136_100000742655 [0,2,0,0,0,0|0,0,2]=4 14338 B12R0.248 CCOCCOC/C=C/C(=O)OC 7a_100000210136_100000742655 [0,2,0,0,0,0|0,0,2]=4 14339 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,2,0,0,0,0|1,0,0]=3 14340 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,2,0,0,0,0|1,0,0]=3 14341 B12R0.248 CCOCCOCCCC(=O)NN 34a_100000211488_100000210147 [0,2,0,0,0,0|2,0,0]=4 14342 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,2,0,0,0,0|0,0,0]=2 14343 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,2,0,0,0,0|0,0,0]=2 14344 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [0,2,0,0,0,0|2,0,0]=4 14345 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [0,2,0,0,0,0|2,0,0]=4 14346 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [0,2,0,0,0,0|2,0,0]=4 14347 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [0,2,0,0,0,0|2,0,0]=4 14348 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [0,2,0,0,0,0|2,0,0]=4 14349 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [0,2,0,0,0,0|2,0,0]=4 14350 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102657272_100102712874 [0,2,0,0,0,0|2,0,0]=4 14351 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102712874_106832991635 [0,2,0,0,0,0|2,0,0]=4 14352 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102657272_100102712874 [0,2,0,0,0,0|2,0,0]=4 14353 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102712874_100102657272 [0,2,0,0,0,0|2,0,0]=4 14354 B12R0.248 CCOCCOCCNC(=O)NC 512a_100102712874_100102657272 [0,2,0,0,0,0|2,0,0]=4 14355 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,2,0,0,0,0|1,0,0]=3 14356 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,2,0,0,0,0|2,0,0]=4 14357 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [0,2,0,0,0,0|2,0,0]=4 14358 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [0,2,0,0,0,0|2,0,0]=4 14359 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,2,0,0,0,0|1,0,0]=3 14360 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000210147_100000742655 [0,2,0,0,0,0|0,0,2]=4 14361 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215890 [0,2,0,0,0,0|0,0,2]=4 14362 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,2,0,0,0,0|1,0,0]=3 14363 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,2,0,0,0,0|1,0,0]=3 14364 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,2,0,0,0,0|0,0,0]=2 14365 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,2,0,0,0,0|0,0,0]=2 14366 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [0,2,0,0,0,0|2,0,0]=4 14367 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [0,2,0,0,0,0|2,0,0]=4 14368 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,2,0,0,0,0|0,0,0]=2 14369 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,2,0,0,0,0|0,0,0]=2 14370 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,2,0,0,0,0|1,0,0]=3 14371 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,2,0,0,0,0|1,0,0]=3 14372 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|0,0,0]=2 14373 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|0,0,0]=2 14374 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,2,0,0,0,0|1,0,0]=3 14375 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,2,0,0,0,0|1,0,0]=3 14376 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,2,0,0,0,0|0,0,0]=2 14377 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,2,0,0,0,0|0,0,0]=2 14378 B12R0.248 CCSCCNC/C=C/C(=O)OC 2230a_100000106463_100000742655 [0,2,0,0,0,0|0,0,2]=4 14379 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,2,0,0,0,0|1,0,0]=3 14380 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,2,0,0,0,0|1,0,0]=3 14381 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,2,0,0,0,0|1,0,0]=3 14382 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,2,0,0,0,0|0,0,0]=2 14383 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [0,2,0,0,0,0|2,0,0]=4 14384 B12R0.248 CCSCCNCCNC(=O)NC 34a_100015205895_100000757381 [0,2,0,0,0,0|2,0,0]=4 14385 B12R0.248 CCSCCOC/C=C/C(=O)OC 34a_100000212035_100000742655 [0,2,0,0,0,0|0,0,2]=4 14386 B12R0.248 CCSCCOC/C=C/C(=O)OC 7a_100000212035_100000742655 [0,2,0,0,0,0|0,0,2]=4 14387 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,2,0,0,0,0|1,0,0]=3 14388 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,2,0,0,0,0|1,0,0]=3 14389 B12R0.248 CCSCCOCCCC(=O)NN 34a_100000211488_100000757381 [0,2,0,0,0,0|2,0,0]=4 14390 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,2,0,0,0,0|0,0,0]=2 14391 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,2,0,0,0,0|0,0,0]=2 14392 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [0,2,0,0,0,0|2,0,0]=4 14393 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [0,2,0,0,0,0|2,0,0]=4 14394 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,2,0,0,0,0|1,0,0]=3 14395 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,2,0,0,0,0|2,0,0]=4 14396 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [0,2,0,0,0,0|2,0,0]=4 14397 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [0,2,0,0,0,0|2,0,0]=4 14398 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,2,0,0,0,0|1,0,0]=3 14399 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000742655_100000757381 [0,2,0,0,0,0|0,0,2]=4 14400 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000757381_100000742655 [0,2,0,0,0,0|0,0,2]=4 14401 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,2,0,0,0,0|1,0,0]=3 14402 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,2,0,0,0,0|1,0,0]=3 14403 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,2,0,0,0,0|0,0,0]=2 14404 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,2,0,0,0,0|0,0,0]=2 14405 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [0,2,0,0,0,0|2,0,0]=4 14406 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [0,2,0,0,0,0|2,0,0]=4 14407 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,2,0,0,0,0|1,0,0]=3 14408 B12R0.248 CNC(=O)CCCNCCCC#N 2230a_100000740002_100000687738 [0,2,0,0,0,0|1,0,1]=4 14409 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [0,2,0,0,0,0|1,0,1]=4 14410 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,2,0,0,0,0|1,0,0]=3 14411 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,2,0,0,0,0|1,0,0]=3 14412 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,2,0,0,0,0|1,0,0]=3 14413 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 14414 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,2,0,0,0,0|1,0,0]=3 14415 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 14416 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,2,0,0,0,0|1,0,0]=3 14417 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,2,0,0,0,0|1,0,0]=3 14418 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,2,0,0,0,0|1,0,0]=3 14419 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,2,0,0,0,0|1,0,0]=3 14420 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,2,0,0,0,0|1,0,0]=3 14421 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 14422 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 14423 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,2,0,0,0,0|1,0,0]=3 14424 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,2,0,0,0,0|1,0,0]=3 14425 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,2,0,0,0,0|1,0,0]=3 14426 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 14427 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,2,0,0,0,0|1,0,0]=3 14428 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,2,0,0,0,0|1,0,0]=3 14429 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,2,0,0,0,0|1,0,0]=3 14430 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000687738_100000741757 [0,2,0,0,0,0|1,0,1]=4 14431 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000741757_100000687738 [0,2,0,0,0,0|1,0,1]=4 14432 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [0,2,0,0,0,0|1,0,1]=4 14433 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [0,2,0,0,0,0|1,0,1]=4 14434 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,2,0,0,0,0|1,0,0]=3 14435 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,2,0,0,0,0|1,0,0]=3 14436 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 14437 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,2,0,0,0,0|1,0,0]=3 14438 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,2,0,0,0,0|1,0,0]=3 14439 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,2,0,0,0,0|1,0,0]=3 14440 B12R0.248 CNC(=O)CCNCCCCC#N 2230a_100000738227_100000211819 [0,2,0,0,0,0|1,0,1]=4 14441 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [0,2,0,0,0,0|1,0,1]=4 14442 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,2,0,0,0,0|1,0,0]=3 14443 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,2,0,0,0,0|1,0,0]=3 14444 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,2,0,0,0,0|1,0,0]=3 14445 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,2,0,0,0,0|1,0,0]=3 14446 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,2,0,0,0,0|1,0,0]=3 14447 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,2,0,0,0,0|1,0,0]=3 14448 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,2,0,0,0,0|1,0,0]=3 14449 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,2,0,0,0,0|1,0,0]=3 14450 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000211614_100000737683 [0,2,0,0,0,0|2,0,0]=4 14451 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000738227_100011215305 [0,2,0,0,0,0|2,0,0]=4 14452 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000211614_100012179268 [0,2,0,0,0,0|2,0,0]=4 14453 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000738227_100000692535 [0,2,0,0,0,0|2,0,0]=4 14454 B12R0.248 CNC(=O)CCNCCSCCO 2230a_100011219999_100000737683 [0,2,0,0,0,0|2,0,0]=4 14455 B12R0.248 CNC(=O)CCNCOCCOC 2230a_100000738227_100000231047 [0,2,0,0,0,0|2,0,0]=4 14456 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,2,0,0,0,0|1,0,0]=3 14457 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,2,0,0,0,0|1,0,0]=3 14458 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,2,0,0,0,0|1,0,0]=3 14459 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,2,0,0,0,0|1,0,0]=3 14460 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,2,0,0,0,0|1,0,0]=3 14461 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,2,0,0,0,0|1,0,0]=3 14462 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,2,0,0,0,0|1,0,0]=3 14463 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,2,0,0,0,0|1,0,0]=3 14464 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,2,0,0,0,0|1,0,0]=3 14465 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,2,0,0,0,0|1,0,0]=3 14466 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,2,0,0,0,0|1,0,0]=3 14467 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,2,0,0,0,0|1,0,0]=3 14468 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,2,0,0,0,0|1,0,0]=3 14469 B12R0.248 CNC(=O)CCOCCOCCBr 34a_100000692535_100012179268 [0,2,0,0,0,0|2,0,0]=4 14470 B12R0.248 CNC(=O)CCOCCOCCBr 7a_100000692535_100000737683 [0,2,0,0,0,0|2,0,0]=4 14471 B12R0.248 CNC(=O)CCOCCOCCCl 34a_100011215305_100012179268 [0,2,0,0,0,0|2,0,0]=4 14472 B12R0.248 CNC(=O)CCOCCOCCCl 7a_100011215305_100000737683 [0,2,0,0,0,0|2,0,0]=4 14473 B12R0.248 CNC(=O)CCOCCOCCF 34a_200015357709_100012179268 [0,2,0,0,0,0|2,0,0]=4 14474 B12R0.248 CNC(=O)CCOCCOCCF 7a_200015357709_100000737683 [0,2,0,0,0,0|2,0,0]=4 14475 B12R0.248 CNC(=O)CCOCCOCCI 34a_100012149058_100012179268 [0,2,0,0,0,0|2,0,0]=4 14476 B12R0.248 CNC(=O)CCOCCOCCI 7a_100012149058_100000737683 [0,2,0,0,0,0|2,0,0]=4 14477 B12R0.248 CNC(=O)CCOCCOCCN 34a_100000211614_100012179268 [0,2,0,0,0,0|2,0,0]=4 14478 B12R0.248 CNC(=O)CCOCCOCCO 1626a_100102657272_100009915118 [0,2,0,0,0,0|2,0,0]=4 14479 B12R0.248 CNC(=O)CCOCCOCCO 240690a_100102657272_100009915118 [0,2,0,0,0,0|2,0,0]=4 14480 B12R0.248 CNC(=O)CCOCCOCCO 34a_100000754576_100000692535 [0,2,0,0,0,0|2,0,0]=4 14481 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100000737683_100000211819 [0,2,0,0,0,0|1,0,1]=4 14482 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100011219923_100000737683 [0,2,0,0,0,0|1,0,1]=4 14483 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [0,2,0,0,0,0|1,0,1]=4 14484 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [0,2,0,0,0,0|1,0,1]=4 14485 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,2,0,0,0,0|1,0,0]=3 14486 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,2,0,0,0,0|1,0,0]=3 14487 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,2,0,0,0,0|1,0,0]=3 14488 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,2,0,0,0,0|1,0,0]=3 14489 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,2,0,0,0,0|1,0,0]=3 14490 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,2,0,0,0,0|1,0,0]=3 14491 B12R0.248 CNC(=O)CCSCCOCCO 62a_100000737683_100011215305 [0,2,0,0,0,0|2,0,0]=4 14492 B12R0.248 CNC(=O)CCSCCOCCO 62a_100011215305_100000737683 [0,2,0,0,0,0|2,0,0]=4 14493 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000231047_100000737683 [0,2,0,0,0,0|2,0,0]=4 14494 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000737683_100000231047 [0,2,0,0,0,0|2,0,0]=4 14495 B12R0.248 CNC(=O)CNCCCCCC#N 2230a_100000693194_100009813376 [0,2,0,0,0,0|1,0,1]=4 14496 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [0,2,0,0,0,0|1,0,1]=4 14497 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,2,0,0,0,0|1,0,0]=3 14498 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 14499 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,2,0,0,0,0|1,0,0]=3 14500 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 14501 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,2,0,0,0,0|1,0,0]=3 14502 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,2,0,0,0,0|1,0,0]=3 14503 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000693194_100000695917 [0,2,0,0,0,0|2,0,0]=4 14504 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000745349_100000183359 [0,2,0,0,0,0|2,0,0]=4 14505 B12R0.248 CNC(=O)CNCCOCCOC 34a_100000745349_100000183359 [0,2,0,0,0,0|2,0,0]=4 14506 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,2,0,0,0,0|1,0,0]=3 14507 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,2,0,0,0,0|1,0,0]=3 14508 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 14509 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 14510 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,2,0,0,0,0|1,0,0]=3 14511 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,2,0,0,0,0|1,0,0]=3 14512 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,2,0,0,0,0|1,0,0]=3 14513 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 14514 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,2,0,0,0,0|1,0,0]=3 14515 B12R0.248 CNC(=O)COCCOCCOC 11a_106832991635_100011214951 [0,2,0,0,0,0|2,0,0]=4 14516 B12R0.248 CNC(=O)COCCOCCOC 1626a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 14517 B12R0.248 CNC(=O)COCCOCCOC 240690a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 14518 B12R0.248 CNC(=O)COCCOCCOC 34a_100000750040_100000695917 [0,2,0,0,0,0|2,0,0]=4 14519 B12R0.248 CNC(=O)COCCOCCOC 34a_100011215163_100000183359 [0,2,0,0,0,0|2,0,0]=4 14520 B12R0.248 CNC(=O)COCCOCCOC 527a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 14521 B12R0.248 CNC(=O)COCCOCCOC 7a_100011215163_100000183359 [0,2,0,0,0,0|2,0,0]=4 14522 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100000183359_100009813376 [0,2,0,0,0,0|1,0,1]=4 14523 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100009813376_100000183359 [0,2,0,0,0,0|1,0,1]=4 14524 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [0,2,0,0,0,0|1,0,1]=4 14525 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [0,2,0,0,0,0|1,0,1]=4 14526 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,2,0,0,0,0|1,0,0]=3 14527 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,2,0,0,0,0|1,0,0]=3 14528 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,2,0,0,0,0|1,0,0]=3 14529 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 14530 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000183359_100000695917 [0,2,0,0,0,0|2,0,0]=4 14531 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000695917_100000183359 [0,2,0,0,0,0|2,0,0]=4 14532 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,2,0,0,0,0|1,0,0]=3 14533 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,2,0,0,0,0|1,0,0]=3 14534 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,2,0,0,0,0|1,0,0]=3 14535 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,2,0,0,0,0|1,0,0]=3 14536 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,2,0,0,0,0|1,0,0]=3 14537 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,2,0,0,0,0|1,0,0]=3 14538 B12R0.248 CNC(=O)NCCCOCCCO 2708a_100102657272_100011310245 [0,2,0,0,0,0|2,0,0]=4 14539 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100011310245_100102657272 [0,2,0,0,0,0|2,0,0]=4 14540 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100102657272_100011310245 [0,2,0,0,0,0|2,0,0]=4 14541 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100000206027_106832991635 [0,2,0,0,0,0|2,0,0]=4 14542 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100102657272_100000206027 [0,2,0,0,0,0|2,0,0]=4 14543 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100000206027_100102657272 [0,2,0,0,0,0|2,0,0]=4 14544 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100102657272_100000206027 [0,2,0,0,0,0|2,0,0]=4 14545 B12R0.248 CNC(=O)NCCNCCCCF 34a_100015205895_100000729493 [0,2,0,0,0,0|2,0,0]=4 14546 B12R0.248 CNC(=O)NCCNCCCCO 34a_100015205895_100011216708 [0,2,0,0,0,0|2,0,0]=4 14547 B12R0.248 CNC(=O)NCCNCCCOC 34a_100015205895_100000740836 [0,2,0,0,0,0|2,0,0]=4 14548 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [0,2,0,0,0,0|2,0,0]=4 14549 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [0,2,0,0,0,0|2,0,0]=4 14550 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [0,2,0,0,0,0|2,0,0]=4 14551 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 14552 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 14553 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [0,2,0,0,0,0|2,0,0]=4 14554 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [0,2,0,0,0,0|2,0,0]=4 14555 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [0,2,0,0,0,0|2,0,0]=4 14556 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [0,2,0,0,0,0|2,0,0]=4 14557 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [0,2,0,0,0,0|2,0,0]=4 14558 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [0,2,0,0,0,0|2,0,0]=4 14559 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [0,2,0,0,0,0|2,0,0]=4 14560 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [0,2,0,0,0,0|2,0,0]=4 14561 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [0,2,0,0,0,0|2,0,0]=4 14562 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 14563 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [0,2,0,0,0,0|2,0,0]=4 14564 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [0,2,0,0,0,0|2,0,0]=4 14565 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [0,2,0,0,0,0|2,0,0]=4 14566 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|0,0,0]=2 14567 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|0,0,0]=2 14568 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|0,0,0]=2 14569 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,2,0,0,0,0|1,0,0]=3 14570 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,2,0,0,0,0|0,0,0]=2 14571 B12R0.248 CNCCCOC/C=C/C(=O)OC 34a_100000213112_100000742655 [0,2,0,0,0,0|0,0,2]=4 14572 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,2,0,0,0,0|1,0,0]=3 14573 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,2,0,0,0,0|0,0,0]=2 14574 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [0,2,0,0,0,0|2,0,0]=4 14575 B12R0.248 CNCCOCCOCC(=O)NC 34a_100000228057_100000183359 [0,2,0,0,0,0|2,0,0]=4 14576 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,2,0,0,0,0|1,0,0]=3 14577 B12R0.248 COC(=O)/C=C/CNCCCCO 2230a_100000750430_100000742655 [0,2,0,0,0,0|0,0,2]=4 14578 B12R0.248 COC(=O)/C=C/CNCCCCO 34a_100000750430_100000742655 [0,2,0,0,0,0|0,0,2]=4 14579 B12R0.248 COC(=O)/C=C/CNCCCSC 2230a_100000749238_100000742655 [0,2,0,0,0,0|0,0,2]=4 14580 B12R0.248 COC(=O)/C=C/COCCCCBr 34a_100011216708_100000742655 [0,2,0,0,0,0|0,0,2]=4 14581 B12R0.248 COC(=O)/C=C/COCCCCCl 34a_100000210776_100000742655 [0,2,0,0,0,0|0,0,2]=4 14582 B12R0.248 COC(=O)/C=C/COCCCCCl 7a_100000210776_100000742655 [0,2,0,0,0,0|0,0,2]=4 14583 B12R0.248 COC(=O)/C=C/COCCCCF 34a_100011995726_100000742655 [0,2,0,0,0,0|0,0,2]=4 14584 B12R0.248 COC(=O)/C=C/COCCCCF 7a_100011995726_100000742655 [0,2,0,0,0,0|0,0,2]=4 14585 B12R0.248 COC(=O)/C=C/COCCCCI 34a_200012148704_100000742655 [0,2,0,0,0,0|0,0,2]=4 14586 B12R0.248 COC(=O)/C=C/COCCCCN 34a_100000750430_100000742655 [0,2,0,0,0,0|0,0,2]=4 14587 B12R0.248 COC(=O)/C=C/COCCCSC 34a_100000690336_100000742655 [0,2,0,0,0,0|0,0,2]=4 14588 B12R0.248 COC(=O)/C=C/COCCCSC 7a_100000690336_100000742655 [0,2,0,0,0,0|0,0,2]=4 14589 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000729493_100000742655 [0,2,0,0,0,0|0,0,2]=4 14590 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000742655_100000729493 [0,2,0,0,0,0|0,0,2]=4 14591 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000210776_100000742655 [0,2,0,0,0,0|0,0,2]=4 14592 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000742655_100000210776 [0,2,0,0,0,0|0,0,2]=4 14593 B12R0.248 COC(=O)CCCC=NNCCO 4a_100000210001_100000094087 [0,2,0,0,0,0|1,0,1]=4 14594 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|0,0,0]=2 14595 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|0,0,0]=2 14596 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|0,0,0]=2 14597 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|0,0,0]=2 14598 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|0,0,0]=2 14599 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|0,0,0]=2 14600 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,2,0,0,0,0|0,0,0]=2 14601 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,2,0,0,0,0|0,0,0]=2 14602 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,2,0,0,0,0|0,0,0]=2 14603 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,2,0,0,0,0|0,0,0]=2 14604 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,2,0,0,0,0|0,0,0]=2 14605 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,2,0,0,0,0|0,0,0]=2 14606 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,2,0,0,0,0|0,0,0]=2 14607 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [0,2,0,0,0,0|0,0,1]=3 14608 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,2,0,0,0,0|0,0,1]=3 14609 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,2,0,0,0,0|0,0,1]=3 14610 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,2,0,0,0,0|0,0,0]=2 14611 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,2,0,0,0,0|0,0,0]=2 14612 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,2,0,0,0,0|0,0,0]=2 14613 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,2,0,0,0,0|0,0,0]=2 14614 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,2,0,0,0,0|0,0,0]=2 14615 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,2,0,0,0,0|0,0,0]=2 14616 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,2,0,0,0,0|0,0,0]=2 14617 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [0,2,0,0,0,0|0,0,1]=3 14618 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [0,2,0,0,0,0|0,0,1]=3 14619 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,2,0,0,0,0|0,0,1]=3 14620 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,2,0,0,0,0|0,0,1]=3 14621 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,2,0,0,0,0|0,0,0]=2 14622 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,2,0,0,0,0|0,0,0]=2 14623 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,2,0,0,0,0|0,0,0]=2 14624 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,2,0,0,0,0|0,0,0]=2 14625 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,2,0,0,0,0|0,0,0]=2 14626 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,2,0,0,0,0|0,0,0]=2 14627 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,2,0,0,0,0|0,0,0]=2 14628 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,2,0,0,0,0|0,0,0]=2 14629 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,2,0,0,0,0|0,0,0]=2 14630 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [0,2,0,0,0,0|0,0,1]=3 14631 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,2,0,0,0,0|0,0,0]=2 14632 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,2,0,0,0,0|0,0,0]=2 14633 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,2,0,0,0,0|0,0,0]=2 14634 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,2,0,0,0,0|0,0,0]=2 14635 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,2,0,0,0,0|0,0,0]=2 14636 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,2,0,0,0,0|0,0,0]=2 14637 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,2,0,0,0,0|0,0,0]=2 14638 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,2,0,0,0,0|0,0,0]=2 14639 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [0,2,0,0,0,0|1,0,0]=3 14640 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,2,0,0,0,0|0,0,0]=2 14641 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,2,0,0,0,0|0,0,0]=2 14642 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,2,0,0,0,0|0,0,0]=2 14643 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,2,0,0,0,0|0,0,0]=2 14644 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [0,2,0,0,0,0|0,0,1]=3 14645 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [0,2,0,0,0,0|0,0,1]=3 14646 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,2,0,0,0,0|0,0,0]=2 14647 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,2,0,0,0,0|0,0,0]=2 14648 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,2,0,0,0,0|0,0,0]=2 14649 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,2,0,0,0,0|0,0,0]=2 14650 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,2,0,0,0,0|0,0,0]=2 14651 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,2,0,0,0,0|0,0,0]=2 14652 B12R0.248 COC(=O)CCCCSCSC#N 62a_100000204269_100000211825 [0,2,0,0,0,0|1,0,1]=4 14653 B12R0.248 COC(=O)CCCCSCSC#N 62a_100000211825_100000204269 [0,2,0,0,0,0|1,0,1]=4 14654 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,2,0,0,0,0|0,0,0]=2 14655 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,2,0,0,0,0|0,0,0]=2 14656 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,2,0,0,0,0|0,0,0]=2 14657 B12R0.248 COC(=O)CCCOCC#CCCl 34a_200000047223_100000742333 [0,2,0,0,0,0|0,0,2]=4 14658 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,2,0,0,0,0|0,0,0]=2 14659 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,2,0,0,0,0|0,0,0]=2 14660 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,2,0,0,0,0|0,0,0]=2 14661 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,2,0,0,0,0|0,0,0]=2 14662 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,2,0,0,0,0|0,0,0]=2 14663 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,2,0,0,0,0|0,0,0]=2 14664 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,2,0,0,0,0|0,0,0]=2 14665 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,2,0,0,0,0|0,0,0]=2 14666 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,2,0,0,0,0|0,0,0]=2 14667 B12R0.248 COC(=O)CCCSCC#CCO 62a_100011218270_200000047223 [0,2,0,0,0,0|0,0,2]=4 14668 B12R0.248 COC(=O)CCCSCC#CCO 62a_200000047223_100011218270 [0,2,0,0,0,0|0,0,2]=4 14669 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [0,2,0,0,0,0|0,0,1]=3 14670 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [0,2,0,0,0,0|0,0,1]=3 14671 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,2,0,0,0,0|0,0,1]=3 14672 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,2,0,0,0,0|0,0,1]=3 14673 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,2,0,0,0,0|0,0,0]=2 14674 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,2,0,0,0,0|0,0,0]=2 14675 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,2,0,0,0,0|0,0,0]=2 14676 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,2,0,0,0,0|0,0,0]=2 14677 B12R0.248 COC(=O)CCCSCCSC#N 62a_100000034367_100011218270 [0,2,0,0,0,0|1,0,1]=4 14678 B12R0.248 COC(=O)CCCSCCSC#N 62a_100011218270_100000034367 [0,2,0,0,0,0|1,0,1]=4 14679 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,2,0,0,0,0|0,0,0]=2 14680 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,2,0,0,0,0|0,0,0]=2 14681 B12R0.248 COC(=O)CCNCCCN=[N+]=[N-] 2230a_100000744732_100000204255 [0,2,0,0,0,0|2,0,0]=4 14682 B12R0.248 COC(=O)CCNCCOCCO 2230a_100000211614_100000204255 [0,2,0,0,0,0|1,0,0]=3 14683 B12R0.248 COC(=O)CCNCCOCCO 34a_100000211614_100000742370 [0,2,0,0,0,0|1,0,0]=3 14684 B12R0.248 COC(=O)CCNCCSCCO 2230a_100011219999_100000204255 [0,2,0,0,0,0|1,0,0]=3 14685 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,2,0,0,0,0|0,0,0]=2 14686 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,2,0,0,0,0|0,0,0]=2 14687 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,2,0,0,0,0|0,0,0]=2 14688 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,2,0,0,0,0|0,0,0]=2 14689 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,2,0,0,0,0|0,0,0]=2 14690 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,2,0,0,0,0|0,0,0]=2 14691 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,2,0,0,0,0|0,0,0]=2 14692 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,2,0,0,0,0|0,0,0]=2 14693 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,2,0,0,0,0|0,0,0]=2 14694 B12R0.248 COC(=O)CCOCCOCCBr 34a_100000692535_100000742370 [0,2,0,0,0,0|1,0,0]=3 14695 B12R0.248 COC(=O)CCOCCOCCBr 7a_100000692535_100000204255 [0,2,0,0,0,0|1,0,0]=3 14696 B12R0.248 COC(=O)CCOCCOCCCl 34a_100011215305_100000742370 [0,2,0,0,0,0|1,0,0]=3 14697 B12R0.248 COC(=O)CCOCCOCCCl 7a_100011215305_100000204255 [0,2,0,0,0,0|1,0,0]=3 14698 B12R0.248 COC(=O)CCOCCOCCF 34a_200015357709_100000742370 [0,2,0,0,0,0|1,0,0]=3 14699 B12R0.248 COC(=O)CCOCCOCCF 7a_200015357709_100000204255 [0,2,0,0,0,0|1,0,0]=3 14700 B12R0.248 COC(=O)CCOCCOCCI 34a_100012149058_100000742370 [0,2,0,0,0,0|1,0,0]=3 14701 B12R0.248 COC(=O)CCOCCOCCI 7a_100012149058_100000204255 [0,2,0,0,0,0|1,0,0]=3 14702 B12R0.248 COC(=O)CCOCCOCCN 34a_100000211614_100000742370 [0,2,0,0,0,0|1,0,0]=3 14703 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [0,2,0,0,0,0|0,0,1]=3 14704 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [0,2,0,0,0,0|0,0,1]=3 14705 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,2,0,0,0,0|0,0,1]=3 14706 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,2,0,0,0,0|0,0,1]=3 14707 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,2,0,0,0,0|0,0,0]=2 14708 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,2,0,0,0,0|0,0,0]=2 14709 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,2,0,0,0,0|0,0,0]=2 14710 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,2,0,0,0,0|0,0,0]=2 14711 B12R0.248 COC(=O)CCSCCOCC#N 62a_100000204255_200000047693 [0,2,0,0,0,0|1,0,1]=4 14712 B12R0.248 COC(=O)CCSCCOCC#N 62a_200000047693_100000204255 [0,2,0,0,0,0|1,0,1]=4 14713 B12R0.248 COC(=O)CCSCCOCCO 62a_100000204255_100011215305 [0,2,0,0,0,0|1,0,0]=3 14714 B12R0.248 COC(=O)CCSCCOCCO 62a_100011215305_100000204255 [0,2,0,0,0,0|1,0,0]=3 14715 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|0,0,0]=2 14716 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|0,0,0]=2 14717 B12R0.248 COC(=O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100000747449 [0,2,0,0,0,0|2,0,0]=4 14718 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,2,0,0,0,0|0,0,0]=2 14719 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,2,0,0,0,0|0,0,0]=2 14720 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,2,0,0,0,0|0,0,0]=2 14721 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,2,0,0,0,0|0,0,0]=2 14722 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,2,0,0,0,0|0,0,0]=2 14723 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,2,0,0,0,0|0,0,0]=2 14724 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|0,0,0]=2 14725 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,2,0,0,0,0|1,0,0]=3 14726 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,2,0,0,0,0|1,0,0]=3 14727 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,2,0,0,0,0|1,0,0]=3 14728 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,2,0,0,0,0|1,0,0]=3 14729 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,2,0,0,0,0|1,0,0]=3 14730 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,2,0,0,0,0|1,0,0]=3 14731 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,2,0,0,0,0|1,0,0]=3 14732 B12R0.248 COC(=O)COCCOCCON 34a_100000700252_100000090808 [0,2,0,0,0,0|2,0,0]=4 14733 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,2,0,0,0,0|1,0,0]=3 14734 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,2,0,0,0,0|1,0,0]=3 14735 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,2,0,0,0,0|1,0,0]=3 14736 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,2,0,0,0,0|1,0,0]=3 14737 B12R0.248 COC(=O)COCCSCCC#N 62a_100000090808_100011215226 [0,2,0,0,0,0|1,0,1]=4 14738 B12R0.248 COC(=O)COCCSCCC#N 62a_100011215226_100000090808 [0,2,0,0,0,0|1,0,1]=4 14739 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,2,0,0,0,0|1,0,0]=3 14740 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,2,0,0,0,0|1,0,0]=3 14741 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,2,0,0,0,0|1,0,0]=3 14742 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,2,0,0,0,0|1,0,0]=3 14743 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,2,0,0,0,0|1,0,0]=3 14744 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,2,0,0,0,0|1,0,0]=3 14745 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,2,0,0,0,0|0,0,1]=3 14746 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,2,0,0,0,0|0,0,1]=3 14747 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,2,0,0,0,0|0,0,1]=3 14748 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,2,0,0,0,0|0,0,1]=3 14749 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,2,0,0,0,0|0,0,0]=2 14750 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,2,0,0,0,0|0,0,0]=2 14751 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|0,0,0]=2 14752 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|0,0,0]=2 14753 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,2,0,0,0,0|1,0,0]=3 14754 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,2,0,0,0,0|1,0,0]=3 14755 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,2,0,0,0,0|1,0,0]=3 14756 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,2,0,0,0,0|1,0,0]=3 14757 B12R0.248 COC(=O)OCSCCCCC#N 62a_100011219923_100000139417 [0,2,0,0,0,0|1,0,1]=4 14758 B12R0.248 COC(=O)OCSCCCCC=O 62a_100000139335_100000139417 [0,2,0,0,0,0|1,0,1]=4 14759 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,2,0,0,0,0|1,0,0]=3 14760 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,2,0,0,0,0|1,0,0]=3 14761 B12R0.248 COC(=O)OCSCCOCCO 62a_100011215305_100000139417 [0,2,0,0,0,0|2,0,0]=4 14762 B12R0.248 COC(C)CCOCCCCCF 7a_100000764861_100000729378 [0,2,0,0,0,0|1,0,1]=4 14763 B12R0.248 COC(C)CCOCCCCCO 7a_100000764861_100000746330 [0,2,0,0,0,0|1,0,1]=4 14764 B12R0.248 COC(C)COCCCCCCF 34a_100000690652_100015922095 [0,2,0,0,0,0|1,0,1]=4 14765 B12R0.248 COC(C)COCCCCCCO 34a_100000690652_100000766143 [0,2,0,0,0,0|1,0,1]=4 14766 B12R0.248 COC(C)SCCCCCCCO 62a_100000760002_100009879195 [0,2,0,0,0,0|1,0,1]=4 14767 B12R0.248 COC(C)SCCCCCCCO 62a_100009879195_100000760002 [0,2,0,0,0,0|1,0,1]=4 14768 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|0,0,0]=2 14769 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|0,0,0]=2 14770 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|0,0,0]=2 14771 B12R0.248 COCCCCCCSC(C)OC 62a_100009879195_100011998445 [0,2,0,0,0,0|1,0,1]=4 14772 B12R0.248 COCCCCCCSC(C)OC 62a_100011998445_100009879195 [0,2,0,0,0,0|1,0,1]=4 14773 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,2,0,0,0,0|0,0,0]=2 14774 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,2,0,0,0,0|0,0,0]=2 14775 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,2,0,0,0,0|0,0,0]=2 14776 B12R0.248 COCCCCOCCC(C)OC 7a_100000764861_100000730899 [0,2,0,0,0,0|1,0,1]=4 14777 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,2,0,0,0,0|0,0,0]=2 14778 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,2,0,0,0,0|0,0,0]=2 14779 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,2,0,0,0,0|1,0,0]=3 14780 B12R0.248 COCCCNC/C=C/C(=O)OC 34a_100150723488_100000742655 [0,2,0,0,0,0|0,0,2]=4 14781 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,2,0,0,0,0|0,0,0]=2 14782 B12R0.248 COCCCOC/C=C/C(=O)OC 34a_100000740835_100000742655 [0,2,0,0,0,0|0,0,2]=4 14783 B12R0.248 COCCCOCCCC(=O)NN 34a_100000211488_100000740836 [0,2,0,0,0,0|2,0,0]=4 14784 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,2,0,0,0,0|0,0,0]=2 14785 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,2,0,0,0,0|1,0,0]=3 14786 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,2,0,0,0,0|1,0,0]=3 14787 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000709357_100000742655 [0,2,0,0,0,0|0,0,2]=4 14788 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000742655_100000709357 [0,2,0,0,0,0|0,0,2]=4 14789 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,2,0,0,0,0|0,0,0]=2 14790 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,2,0,0,0,0|0,0,0]=2 14791 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,2,0,0,0,0|0,0,0]=2 14792 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,2,0,0,0,0|1,0,0]=3 14793 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,2,0,0,0,0|0,0,0]=2 14794 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,2,0,0,0,0|0,0,0]=2 14795 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,2,0,0,0,0|0,0,0]=2 14796 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,2,0,0,0,0|1,0,0]=3 14797 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,2,0,0,0,0|1,0,0]=3 14798 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,2,0,0,0,0|1,0,0]=3 14799 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,2,0,0,0,0|1,0,0]=3 14800 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,2,0,0,0,0|1,0,0]=3 14801 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,2,0,0,0,0|1,0,0]=3 14802 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,2,0,0,0,0|1,0,0]=3 14803 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,2,0,0,0,0|1,0,0]=3 14804 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,2,0,0,0,0|1,0,0]=3 14805 B12R0.248 COCCOCSCCC(=O)OC 62a_100000204255_100000231047 [0,2,0,0,0,0|1,0,0]=3 14806 B12R0.248 COCCOCSCCC(=O)OC 62a_100000231047_100000204255 [0,2,0,0,0,0|1,0,0]=3 14807 B12R0.248 COCCOCSCOC(=O)OC 62a_100000231047_100000139417 [0,2,0,0,0,0|2,0,0]=4 14808 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,2,0,0,0,0|0,0,0]=2 14809 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,2,0,0,0,0|0,0,0]=2 14810 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,2,0,0,0,0|1,0,0]=3 14811 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,2,0,0,0,0|1,0,0]=3 14812 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,2,0,0,0,0|0,0,0]=2 14813 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,2,0,0,0,0|0,0,0]=2 14814 B12R0.248 CO[C@H](C)CNCCCCCCF 2230a_100020591295_100015922095 [0,2,0,0,0,0|1,0,1]=4 14815 B12R0.248 CO[C@H](C)CNCCCCCCO 2230a_100020591295_100000766143 [0,2,0,0,0,0|1,0,1]=4 14816 B12R0.248 NNC(=O)CCCOCCCCF 34a_100000211488_100000729493 [0,2,0,0,0,0|2,0,0]=4 14817 B12R0.248 NNC(=O)CCCOCCCCO 34a_100000211488_100011216708 [0,2,0,0,0,0|2,0,0]=4 14818 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,2,0,0,0,0|2,0,0]=4 14819 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,2,0,0,0,0|2,0,0]=4 14820 B12R0.251 C#CCCCCCCC(=O)C(=C)C 1458a_100000185857_100012276617 [0,2,0,0,0,0|1,0,1]=4 14821 B12R0.251 C#CCCCCCCC(=O)C(C)C 1458a_100000034748_100000210206 [0,2,0,0,0,0|1,0,1]=4 14822 B12R0.251 C#CCCCCCCC(=O)C(C)C 1458a_100000210198_100012276617 [0,2,0,0,0,0|1,0,1]=4 14823 B12R0.251 C#CCCCCCCC(=O)C(C)F 1458a_100000062450_100012276617 [0,2,0,0,0,0|1,0,1]=4 14824 B12R0.251 C#CCCCCCCC(=O)N(C)C 11a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 14825 B12R0.251 C#CCCCCCCC(=O)N(C)C 1626a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 14826 B12R0.251 C#CCCCCCCC(=O)N(C)C 240690a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 14827 B12R0.251 C#CCCCCCCC(=O)N(C)C 527a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 14828 B12R0.251 C#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012276617 [0,2,0,0,0,0|1,0,1]=4 14829 B12R0.251 C#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012276617 [0,2,0,0,0,0|1,0,1]=4 14830 B12R0.251 C=C(Br)C(=O)NCCCCCCC 11a_100000229938_100009813364 [0,2,0,0,0,0|1,0,1]=4 14831 B12R0.251 C=C(Br)C(=O)NCCCCCCC 1626a_100000229938_100009813364 [0,2,0,0,0,0|1,0,1]=4 14832 B12R0.251 C=C(C)C(=O)CC#CCCCCC 1458a_100000185857_100009816472 [0,2,0,0,0,0|1,0,1]=4 14833 B12R0.251 C=C(C)C(=O)CCCCCCC#N 1458a_100000185857_100009813337 [0,2,0,0,0,0|1,0,1]=4 14834 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,2,0,0,0,0|1,0,0]=3 14835 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,2,0,0,0,0|1,0,0]=3 14836 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,2,0,0,0,0|1,0,0]=3 14837 B12R0.251 C=C(C)C(=O)CCCOCCOC 1458a_100000185857_100011216529 [0,2,0,0,0,0|2,0,0]=4 14838 B12R0.251 C=C(C)C(=O)CCOCCOCC 1458a_100000185857_100011211534 [0,2,0,0,0,0|2,0,0]=4 14839 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,2,0,0,0,0|1,0,0]=3 14840 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,2,0,0,0,0|1,0,0]=3 14841 B12R0.251 C=C(C)C(=O)NCCCCCOC 11a_100000747528_100000185857 [0,2,0,0,0,0|2,0,0]=4 14842 B12R0.251 C=C(C)C(=O)NCCCCCOC 1626a_100000747528_100000185857 [0,2,0,0,0,0|2,0,0]=4 14843 B12R0.251 C=C(C)C(=O)NCCCNCCC 2230a_100016987756_100000210303 [0,2,0,0,0,0|2,0,0]=4 14844 B12R0.251 C=C(C)C(=O)NCCCOCCC 1626a_100011217757_100000185857 [0,2,0,0,0,0|2,0,0]=4 14845 B12R0.251 C=C(C)C(=O)NCCNCCCC 2230a_100102636416_100000210211 [0,2,0,0,0,0|2,0,0]=4 14846 B12R0.251 C=C(C)C(=O)NCCSCCCC 11a_100025743550_100000185857 [0,2,0,0,0,0|2,0,0]=4 14847 B12R0.251 C=C(C)C(=O)NCCSCCCC 1626a_100025743550_100000185857 [0,2,0,0,0,0|2,0,0]=4 14848 B12R0.251 C=C(C)C(=O)OCCCCOCC 7a_100000065474_100000210202 [0,2,0,0,0,0|2,0,0]=4 14849 B12R0.251 C=C(C)C(=O)OCCCOCCC 7a_100000032641_100000210303 [0,2,0,0,0,0|2,0,0]=4 14850 B12R0.251 C=C(C)C(=O)OCCNCCCC 2230a_100000102301_100009816335 [0,2,0,0,0,0|2,0,0]=4 14851 B12R0.251 C=C(C)C(=O)OCCNCCCC 7a_106832991798_100009816335 [0,2,0,0,0,0|2,0,0]=4 14852 B12R0.251 C=C(C)C(=O)OCCOCCCC 34a_100000210227_100009816335 [0,2,0,0,0,0|2,0,0]=4 14853 B12R0.251 C=C(C)C(=O)OCCOCCCC 7a_100000210227_100009816335 [0,2,0,0,0,0|2,0,0]=4 14854 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100000210211_100009816335 [0,2,0,0,0,0|2,0,0]=4 14855 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100009816335_100000210210 [0,2,0,0,0,0|2,0,0]=4 14856 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 11a_100000229938_100000039160 [0,2,0,0,0,0|1,0,1]=4 14857 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 1626a_100000229938_100000039160 [0,2,0,0,0,0|1,0,1]=4 14858 B12R0.251 C=C(F)C(=O)NCCCCCCC 11a_100000229938_100000036797 [0,2,0,0,0,0|1,0,1]=4 14859 B12R0.251 C=C(F)C(=O)NCCCCCCC 1626a_100000229938_100000036797 [0,2,0,0,0,0|1,0,1]=4 14860 B12R0.251 C=CCCCCCCC(=O)C(=C)C 1458a_100000185857_100011215473 [0,2,0,0,0,0|1,0,1]=4 14861 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100000210198_100011215473 [0,2,0,0,0,0|1,0,1]=4 14862 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100011809334_100000210206 [0,2,0,0,0,0|1,0,1]=4 14863 B12R0.251 C=CCCCCCCC(=O)C(C)F 1458a_100000062450_100011215473 [0,2,0,0,0,0|1,0,1]=4 14864 B12R0.251 C=CCCCCCCC(=O)N(C)C 11a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 14865 B12R0.251 C=CCCCCCCC(=O)N(C)C 1626a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 14866 B12R0.251 C=CCCCCCCC(=O)N(C)C 240690a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 14867 B12R0.251 C=CCCCCCCC(=O)N(C)C 527a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 14868 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [0,2,0,0,0,0|1,0,1]=4 14869 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [0,2,0,0,0,0|1,0,1]=4 14870 B12R0.251 CC(=O)C(=O)CNCCCCCO 34a_100000762737_100011261029 [0,2,0,0,0,0|2,0,0]=4 14871 B12R0.251 CC(=O)C(=O)COCCCCCBr 34a_100000746331_100011261029 [0,2,0,0,0,0|2,0,0]=4 14872 B12R0.251 CC(=O)C(=O)COCCCCCCl 34a_100000746330_100011261029 [0,2,0,0,0,0|2,0,0]=4 14873 B12R0.251 CC(=O)C(=O)COCCCCCI 34a_200012148887_100011261029 [0,2,0,0,0,0|2,0,0]=4 14874 B12R0.251 CC(=O)C(=O)COCCCCCN 34a_100000762737_100011261029 [0,2,0,0,0,0|2,0,0]=4 14875 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100000729378_100011261029 [0,2,0,0,0,0|2,0,0]=4 14876 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100011261029_100000729378 [0,2,0,0,0,0|2,0,0]=4 14877 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100000746330_100011261029 [0,2,0,0,0,0|2,0,0]=4 14878 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100011261029_100000746330 [0,2,0,0,0,0|2,0,0]=4 14879 B12R0.251 CC(C)C(=O)CCCCCCC#N 1458a_100000210198_100009813337 [0,2,0,0,0,0|1,0,1]=4 14880 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [0,2,0,0,0,0|1,0,0]=3 14881 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [0,2,0,0,0,0|1,0,0]=3 14882 B12R0.251 CC(C)C(=O)CNCCCCCO 2230a_100000762737_100000753385 [0,2,0,0,0,0|2,0,0]=4 14883 B12R0.251 CC(C)C(=O)CNCCCCCO 34a_100000762737_100000753385 [0,2,0,0,0,0|2,0,0]=4 14884 B12R0.251 CC(C)C(=O)COCCCCCBr 34a_100000746331_100000753385 [0,2,0,0,0,0|2,0,0]=4 14885 B12R0.251 CC(C)C(=O)COCCCCCBr 7a_100000746331_100000753385 [0,2,0,0,0,0|2,0,0]=4 14886 B12R0.251 CC(C)C(=O)COCCCCCCl 34a_100000746330_100000753385 [0,2,0,0,0,0|2,0,0]=4 14887 B12R0.251 CC(C)C(=O)COCCCCCCl 7a_100000746330_100000753385 [0,2,0,0,0,0|2,0,0]=4 14888 B12R0.251 CC(C)C(=O)COCCCCCI 34a_200012148887_100000753385 [0,2,0,0,0,0|2,0,0]=4 14889 B12R0.251 CC(C)C(=O)COCCCCCI 7a_200012148887_100000753385 [0,2,0,0,0,0|2,0,0]=4 14890 B12R0.251 CC(C)C(=O)COCCCCCN 34a_100000762737_100000753385 [0,2,0,0,0,0|2,0,0]=4 14891 B12R0.251 CC(C)C(=O)CSCCCCCF 62a_100000729378_100000753385 [0,2,0,0,0,0|2,0,0]=4 14892 B12R0.251 CC(C)C(=O)CSCCCCCF 62a_100000753385_100000729378 [0,2,0,0,0,0|2,0,0]=4 14893 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000746330_100000753385 [0,2,0,0,0,0|2,0,0]=4 14894 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000753385_100000746330 [0,2,0,0,0,0|2,0,0]=4 14895 B12R0.251 CC(C)C(=O)NCCCCCCO 240690a_100000686447_100000210198 [0,2,0,0,0,0|2,0,0]=4 14896 B12R0.251 CC(C)C(=O)NCCCCCCO 527a_100000686447_100000210198 [0,2,0,0,0,0|2,0,0]=4 14897 B12R0.251 CC(F)C(=O)CCCCCCC#N 1458a_100000062450_100009813337 [0,2,0,0,0,0|1,0,1]=4 14898 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [0,2,0,0,0,0|1,0,0]=3 14899 B12R0.251 CC(F)C(=O)NCCCCCCO 240690a_100000686447_100000062450 [0,2,0,0,0,0|2,0,0]=4 14900 B12R0.251 CC(F)C(=O)NCCCCCCO 527a_100000686447_100000062450 [0,2,0,0,0,0|2,0,0]=4 14901 B12R0.251 CCCCC/C=C/CC(=O)C(C)C 1458a_100020675968_100000210206 [0,2,0,0,0,0|1,0,1]=4 14902 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 14903 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 14904 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 14905 B12R0.251 CCCCCC#CCC(=O)C(C)C 1458a_100000210198_100009816472 [0,2,0,0,0,0|1,0,1]=4 14906 B12R0.251 CCCCCC#CCC(=O)C(C)F 1458a_100000062450_100009816472 [0,2,0,0,0,0|1,0,1]=4 14907 B12R0.251 CCCCCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009816472 [0,2,0,0,0,0|1,0,1]=4 14908 B12R0.251 CCCCCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009816472 [0,2,0,0,0,0|1,0,1]=4 14909 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [0,2,0,0,0,0|1,0,1]=4 14910 B12R0.251 CCCCCCC=CC(=O)N(C)C 11a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 14911 B12R0.251 CCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 14912 B12R0.251 CCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 14913 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,2,0,0,0,0|1,0,0]=3 14914 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,2,0,0,0,0|1,0,0]=3 14915 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,2,0,0,0,0|1,0,0]=3 14916 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,2,0,0,0,0|2,0,0]=4 14917 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 14918 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 14919 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 14920 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 14921 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,2,0,0,0,0|1,0,0]=3 14922 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,2,0,0,0,0|1,0,0]=3 14923 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,2,0,0,0,0|2,0,0]=4 14924 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,2,0,0,0,0|1,0,0]=3 14925 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,2,0,0,0,0|1,0,0]=3 14926 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,2,0,0,0,0|1,0,0]=3 14927 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,2,0,0,0,0|1,0,0]=3 14928 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,2,0,0,0,0|1,0,0]=3 14929 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,2,0,0,0,0|1,0,0]=3 14930 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,2,0,0,0,0|1,0,0]=3 14931 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,2,0,0,0,0|1,0,0]=3 14932 B12R0.251 CCCCCCCNC(=O)C(F)F 11a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 14933 B12R0.251 CCCCCCCNC(=O)C(F)F 1626a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 14934 B12R0.251 CCCCCCCNC(=O)C(F)F 240690a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 14935 B12R0.251 CCCCCCCNC(=O)C(F)F 527a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 14936 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,2,0,0,0,0|2,0,0]=4 14937 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [0,2,0,0,0,0|1,0,0]=3 14938 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,2,0,0,0,0|1,0,0]=3 14939 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,2,0,0,0,0|1,0,0]=3 14940 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,2,0,0,0,0|1,0,0]=3 14941 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,2,0,0,0,0|1,0,0]=3 14942 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [0,2,0,0,0,0|1,0,0]=3 14943 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [0,2,0,0,0,0|1,0,0]=3 14944 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,2,0,0,0,0|1,0,0]=3 14945 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,2,0,0,0,0|1,0,0]=3 14946 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,2,0,0,0,0|1,0,0]=3 14947 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [0,2,0,0,0,0|1,0,0]=3 14948 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [0,2,0,0,0,0|1,0,0]=3 14949 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,2,0,0,0,0|1,0,0]=3 14950 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,2,0,0,0,0|1,0,0]=3 14951 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,2,0,0,0,0|1,0,0]=3 14952 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,2,0,0,0,0|1,0,0]=3 14953 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [0,2,0,0,0,0|1,0,0]=3 14954 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [0,2,0,0,0,0|1,0,0]=3 14955 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000209983_100000737620 [0,2,0,0,0,0|1,0,0]=3 14956 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210326 [0,2,0,0,0,0|1,0,0]=3 14957 B12R0.251 CCCCCOCCC(=O)N(C)C 34a_200000747469_100000718602 [0,2,0,0,0,0|1,0,0]=3 14958 B12R0.251 CCCCCOCCC(=O)N(C)C 7a_100000210253_100000737620 [0,2,0,0,0,0|1,0,0]=3 14959 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000210326_100000737620 [0,2,0,0,0,0|1,0,0]=3 14960 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000737620_100000210326 [0,2,0,0,0,0|1,0,0]=3 14961 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000139345_100000210326 [0,2,0,0,0,0|2,0,0]=4 14962 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000210326_100000139345 [0,2,0,0,0,0|2,0,0]=4 14963 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_100000102301_100000737642 [0,2,0,0,0,0|1,0,0]=3 14964 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210211 [0,2,0,0,0,0|1,0,0]=3 14965 B12R0.251 CCCCNCCCC(=O)N(C)C 7a_106832991798_100000737642 [0,2,0,0,0,0|1,0,0]=3 14966 B12R0.251 CCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210211 [0,2,0,0,0,0|2,0,0]=4 14967 B12R0.251 CCCCNCCNC(=O)C(C)C 34a_100000752568_100000210210 [0,2,0,0,0,0|2,0,0]=4 14968 B12R0.251 CCCCOCCCC(=O)N(C)C 7a_100000210227_100000737642 [0,2,0,0,0,0|1,0,0]=3 14969 B12R0.251 CCCCOCNCC(=O)N(C)C 2230a_100015183351_100011995733 [0,2,0,0,0,0|2,0,0]=4 14970 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011261029_100011995733 [0,2,0,0,0,0|2,0,0]=4 14971 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011995733_100011261029 [0,2,0,0,0,0|2,0,0]=4 14972 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100000753385_100011995733 [0,2,0,0,0,0|2,0,0]=4 14973 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100011995733_100000753385 [0,2,0,0,0,0|2,0,0]=4 14974 B12R0.251 CCCCOCSCC(=O)N(C)C 62a_100000692301_100011995733 [0,2,0,0,0,0|2,0,0]=4 14975 B12R0.251 CCCCOCSCC(=O)N(C)C 62a_100011995733_100000692301 [0,2,0,0,0,0|2,0,0]=4 14976 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000210211_100000737642 [0,2,0,0,0,0|1,0,0]=3 14977 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000737642_100000210210 [0,2,0,0,0,0|1,0,0]=3 14978 B12R0.251 CCCCSCCNC(=O)C(C)C 11a_100025743550_100000210198 [0,2,0,0,0,0|2,0,0]=4 14979 B12R0.251 CCCCSCCNC(=O)C(C)C 1626a_100025743550_100000210198 [0,2,0,0,0,0|2,0,0]=4 14980 B12R0.251 CCCCSCCNC(=O)C(C)C 240690a_100025743550_100000210198 [0,2,0,0,0,0|2,0,0]=4 14981 B12R0.251 CCCCSCCNC(=O)C(C)C 527a_100025743550_100000210198 [0,2,0,0,0,0|2,0,0]=4 14982 B12R0.251 CCCCSCCNC(=O)C(C)F 11a_100025743550_100000062450 [0,2,0,0,0,0|2,0,0]=4 14983 B12R0.251 CCCCSCCNC(=O)C(C)F 1626a_100025743550_100000062450 [0,2,0,0,0,0|2,0,0]=4 14984 B12R0.251 CCCCSCCNC(=O)C(C)F 240690a_100025743550_100000062450 [0,2,0,0,0,0|2,0,0]=4 14985 B12R0.251 CCCCSCCNC(=O)C(C)F 527a_100025743550_100000062450 [0,2,0,0,0,0|2,0,0]=4 14986 B12R0.251 CCCCSCCNC(=O)N(C)C 2708a_100025743550_100102631434 [0,2,0,0,0,0|2,0,0]=4 14987 B12R0.251 CCCCSCCNC(=O)[C@@H](C)O 240690a_100025743550_100000717761 [0,2,0,0,0,0|2,0,0]=4 14988 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 1626a_100025743550_217856618621 [0,2,0,0,0,0|2,0,0]=4 14989 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 240690a_100025743550_217856618621 [0,2,0,0,0,0|2,0,0]=4 14990 B12R0.251 CCCOCCCCC(=O)N(C)C 34a_100000210258_100000752486 [0,2,0,0,0,0|1,0,0]=3 14991 B12R0.251 CCCOCCCNC(=O)C(C)C 1626a_100011217757_100000210198 [0,2,0,0,0,0|2,0,0]=4 14992 B12R0.251 CCCOCCCNC(=O)C(C)C 240690a_100011217757_100000210198 [0,2,0,0,0,0|2,0,0]=4 14993 B12R0.251 CCCOCCCNC(=O)C(C)C 527a_100011217757_100000210198 [0,2,0,0,0,0|2,0,0]=4 14994 B12R0.251 CCCOCCCNC(=O)C(C)F 1626a_100011217757_100000062450 [0,2,0,0,0,0|2,0,0]=4 14995 B12R0.251 CCCOCCCNC(=O)C(C)F 240690a_100011217757_100000062450 [0,2,0,0,0,0|2,0,0]=4 14996 B12R0.251 CCCOCCCNC(=O)C(C)F 527a_100011217757_100000062450 [0,2,0,0,0,0|2,0,0]=4 14997 B12R0.251 CCCOCCCNC(=O)N(C)C 2708a_100011217757_100102631434 [0,2,0,0,0,0|2,0,0]=4 14998 B12R0.251 CCCOCCCNC(=O)[C@@H](C)O 240690a_100011217757_100000717761 [0,2,0,0,0,0|2,0,0]=4 14999 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 1626a_100011217757_217856618621 [0,2,0,0,0,0|2,0,0]=4 15000 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 240690a_100011217757_217856618621 [0,2,0,0,0,0|2,0,0]=4 15001 B12R0.251 CCCOCCNCC(=O)C(=O)C 34a_100161115042_100011261029 [0,2,0,0,0,0|2,0,0]=4 15002 B12R0.251 CCCOCCNCC(=O)C(C)C 2230a_100161115042_100000753385 [0,2,0,0,0,0|2,0,0]=4 15003 B12R0.251 CCCOCCNCC(=O)C(C)C 34a_100161115042_100000753385 [0,2,0,0,0,0|2,0,0]=4 15004 B12R0.251 CCCOCCNCC(=O)N(C)C 2230a_100015183351_100011215938 [0,2,0,0,0,0|2,0,0]=4 15005 B12R0.251 CCCOCCNCC(=O)N(C)C 2230a_100161115042_100000185267 [0,2,0,0,0,0|2,0,0]=4 15006 B12R0.251 CCCOCCNCC(=O)N(C)C 34a_100161115042_100000692301 [0,2,0,0,0,0|2,0,0]=4 15007 B12R0.251 CCCOCCOCC(=O)C(=O)C 34a_100000752267_100011261029 [0,2,0,0,0,0|2,0,0]=4 15008 B12R0.251 CCCOCCOCC(=O)C(C)C 34a_100000752267_100000753385 [0,2,0,0,0,0|2,0,0]=4 15009 B12R0.251 CCCOCCOCC(=O)C(C)C 7a_100000752267_100000753385 [0,2,0,0,0,0|2,0,0]=4 15010 B12R0.251 CCCOCCOCC(=O)N(C)C 34a_100000752267_100000692301 [0,2,0,0,0,0|2,0,0]=4 15011 B12R0.251 CCCOCCOCC(=O)N(C)C 7a_100000752267_100000692301 [0,2,0,0,0,0|2,0,0]=4 15012 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011215938_100011261029 [0,2,0,0,0,0|2,0,0]=4 15013 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011261029_100011215938 [0,2,0,0,0,0|2,0,0]=4 15014 B12R0.251 CCCOCCSCC(=O)C(C)C 62a_100000753385_100011215938 [0,2,0,0,0,0|2,0,0]=4 15015 B12R0.251 CCCOCCSCC(=O)C(C)C 62a_100011215938_100000753385 [0,2,0,0,0,0|2,0,0]=4 15016 B12R0.251 CCCOCCSCC(=O)N(C)C 62a_100000692301_100011215938 [0,2,0,0,0,0|2,0,0]=4 15017 B12R0.251 CCCOCCSCC(=O)N(C)C 62a_100011215938_100000692301 [0,2,0,0,0,0|2,0,0]=4 15018 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000210303_100000752486 [0,2,0,0,0,0|1,0,0]=3 15019 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000752486_100000210303 [0,2,0,0,0,0|1,0,0]=3 15020 B12R0.251 CCCSCCNCC(=O)C(C)C 2230a_100020603323_100000753385 [0,2,0,0,0,0|2,0,0]=4 15021 B12R0.251 CCCSCCNCC(=O)N(C)C 2230a_100020603323_100000185267 [0,2,0,0,0,0|2,0,0]=4 15022 B12R0.251 CCCSCCOCC(=O)C(=O)C 34a_200000230433_100011261029 [0,2,0,0,0,0|2,0,0]=4 15023 B12R0.251 CCCSCCOCC(=O)C(C)C 34a_200000230433_100000753385 [0,2,0,0,0,0|2,0,0]=4 15024 B12R0.251 CCCSCCOCC(=O)C(C)C 7a_200000230433_100000753385 [0,2,0,0,0,0|2,0,0]=4 15025 B12R0.251 CCCSCCOCC(=O)N(C)C 34a_200000230433_100000692301 [0,2,0,0,0,0|2,0,0]=4 15026 B12R0.251 CCCSCCOCC(=O)N(C)C 7a_200000230433_100000692301 [0,2,0,0,0,0|2,0,0]=4 15027 B12R0.251 CCOCCCNCC(=O)C(=O)C 34a_100000210961_100011261029 [0,2,0,0,0,0|2,0,0]=4 15028 B12R0.251 CCOCCCNCC(=O)C(C)C 2230a_100000210961_100000753385 [0,2,0,0,0,0|2,0,0]=4 15029 B12R0.251 CCOCCCNCC(=O)C(C)C 34a_100000210961_100000753385 [0,2,0,0,0,0|2,0,0]=4 15030 B12R0.251 CCOCCCNCC(=O)N(C)C 2230a_100000210961_100000185267 [0,2,0,0,0,0|2,0,0]=4 15031 B12R0.251 CCOCCCNCC(=O)N(C)C 2230a_100015183351_100012232248 [0,2,0,0,0,0|2,0,0]=4 15032 B12R0.251 CCOCCCNCC(=O)N(C)C 34a_100000210961_100000692301 [0,2,0,0,0,0|2,0,0]=4 15033 B12R0.251 CCOCCCOCC(=O)C(=O)C 34a_100000757476_100011261029 [0,2,0,0,0,0|2,0,0]=4 15034 B12R0.251 CCOCCCOCC(=O)C(C)C 34a_100000757476_100000753385 [0,2,0,0,0,0|2,0,0]=4 15035 B12R0.251 CCOCCCOCC(=O)C(C)C 7a_100000757476_100000753385 [0,2,0,0,0,0|2,0,0]=4 15036 B12R0.251 CCOCCCOCC(=O)N(C)C 34a_100000757476_100000692301 [0,2,0,0,0,0|2,0,0]=4 15037 B12R0.251 CCOCCCOCC(=O)N(C)C 7a_100000757476_100000692301 [0,2,0,0,0,0|2,0,0]=4 15038 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100011261029_100012232248 [0,2,0,0,0,0|2,0,0]=4 15039 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100012232248_100011261029 [0,2,0,0,0,0|2,0,0]=4 15040 B12R0.251 CCOCCCSCC(=O)C(C)C 62a_100000753385_100012232248 [0,2,0,0,0,0|2,0,0]=4 15041 B12R0.251 CCOCCCSCC(=O)C(C)C 62a_100012232248_100000753385 [0,2,0,0,0,0|2,0,0]=4 15042 B12R0.251 CCOCCCSCC(=O)N(C)C 62a_100000692301_100012232248 [0,2,0,0,0,0|2,0,0]=4 15043 B12R0.251 CCOCCCSCC(=O)N(C)C 62a_100012232248_100000692301 [0,2,0,0,0,0|2,0,0]=4 15044 B12R0.251 CCOCCNCCC(=O)N(C)C 2230a_100000738053_100011215890 [0,2,0,0,0,0|2,0,0]=4 15045 B12R0.251 CCOCCNCCC(=O)N(C)C 2230a_102516460346_100000737620 [0,2,0,0,0,0|2,0,0]=4 15046 B12R0.251 CCOCCOCCC(=O)C(C)C 1458a_100000210198_100011211534 [0,2,0,0,0,0|2,0,0]=4 15047 B12R0.251 CCOCCOCCC(=O)C(C)F 1458a_100000062450_100011211534 [0,2,0,0,0,0|2,0,0]=4 15048 B12R0.251 CCOCCOCCC(=O)N(C)C 34a_200000747469_100000210147 [0,2,0,0,0,0|2,0,0]=4 15049 B12R0.251 CCOCCOCCC(=O)N(C)C 7a_100000210136_100000737620 [0,2,0,0,0,0|2,0,0]=4 15050 B12R0.251 CCOCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011211534 [0,2,0,0,0,0|2,0,0]=4 15051 B12R0.251 CCOCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011211534 [0,2,0,0,0,0|2,0,0]=4 15052 B12R0.251 CCOCCSCCC(=O)N(C)C 62a_100000210147_100000737620 [0,2,0,0,0,0|2,0,0]=4 15053 B12R0.251 CCOCCSCCC(=O)N(C)C 62a_100000737620_100011215890 [0,2,0,0,0,0|2,0,0]=4 15054 B12R0.251 CCOCSCCCC(=O)N(C)C 62a_100000737642_100000739092 [0,2,0,0,0,0|2,0,0]=4 15055 B12R0.251 CCOCSCCCC(=O)N(C)C 62a_100000739092_100000737642 [0,2,0,0,0,0|2,0,0]=4 15056 B12R0.251 CCSCCCOCC(=O)C(=O)C 34a_100011216438_100011261029 [0,2,0,0,0,0|2,0,0]=4 15057 B12R0.251 CCSCCCOCC(=O)C(C)C 34a_100011216438_100000753385 [0,2,0,0,0,0|2,0,0]=4 15058 B12R0.251 CCSCCCOCC(=O)C(C)C 7a_100011216438_100000753385 [0,2,0,0,0,0|2,0,0]=4 15059 B12R0.251 CCSCCCOCC(=O)N(C)C 34a_100011216438_100000692301 [0,2,0,0,0,0|2,0,0]=4 15060 B12R0.251 CCSCCCOCC(=O)N(C)C 7a_100011216438_100000692301 [0,2,0,0,0,0|2,0,0]=4 15061 B12R0.251 CCSCCNCCC(=O)N(C)C 2230a_100000106463_100000737620 [0,2,0,0,0,0|2,0,0]=4 15062 B12R0.251 CCSCCNCCC(=O)N(C)C 2230a_100000738053_100000757381 [0,2,0,0,0,0|2,0,0]=4 15063 B12R0.251 CCSCCOCCC(=O)N(C)C 34a_200000747469_100000757381 [0,2,0,0,0,0|2,0,0]=4 15064 B12R0.251 CCSCCOCCC(=O)N(C)C 7a_100000212035_100000737620 [0,2,0,0,0,0|2,0,0]=4 15065 B12R0.251 CCSCCSCCC(=O)N(C)C 62a_100000737620_100000757381 [0,2,0,0,0,0|2,0,0]=4 15066 B12R0.251 CCSCCSCCC(=O)N(C)C 62a_100000757381_100000737620 [0,2,0,0,0,0|2,0,0]=4 15067 B12R0.251 CN(C)C(=O)CCCCCCCO 240690a_100102631434_100011219782 [0,2,0,0,0,0|1,0,0]=3 15068 B12R0.251 CN(C)C(=O)CCCCNCCF 34a_100000724931_100000752486 [0,2,0,0,0,0|2,0,0]=4 15069 B12R0.251 CN(C)C(=O)CCCCNCCO 34a_100016990907_100000752486 [0,2,0,0,0,0|2,0,0]=4 15070 B12R0.251 CN(C)C(=O)CCCCOCCBr 34a_100000211926_100000752486 [0,2,0,0,0,0|2,0,0]=4 15071 B12R0.251 CN(C)C(=O)CCCCOCCN 34a_100000210304_100000752486 [0,2,0,0,0,0|2,0,0]=4 15072 B12R0.251 CN(C)C(=O)CCCCSCCF 62a_100000752486_100011217306 [0,2,0,0,0,0|2,0,0]=4 15073 B12R0.251 CN(C)C(=O)CCCCSCCF 62a_100011217306_100000752486 [0,2,0,0,0,0|2,0,0]=4 15074 B12R0.251 CN(C)C(=O)CCCCSCCO 62a_100000211926_100000752486 [0,2,0,0,0,0|2,0,0]=4 15075 B12R0.251 CN(C)C(=O)CCCCSCCO 62a_100000752486_100000211926 [0,2,0,0,0,0|2,0,0]=4 15076 B12R0.251 CN(C)C(=O)CCCNCCCF 2230a_100015189416_100000737642 [0,2,0,0,0,0|2,0,0]=4 15077 B12R0.251 CN(C)C(=O)CCCNCCCF 2230a_200000744827_100011934791 [0,2,0,0,0,0|2,0,0]=4 15078 B12R0.251 CN(C)C(=O)CCCNCCCO 2230a_200000744827_100000230001 [0,2,0,0,0,0|2,0,0]=4 15079 B12R0.251 CN(C)C(=O)CCCSCCCF 62a_100000737642_100011934791 [0,2,0,0,0,0|2,0,0]=4 15080 B12R0.251 CN(C)C(=O)CCCSCCCF 62a_100011934791_100000737642 [0,2,0,0,0,0|2,0,0]=4 15081 B12R0.251 CN(C)C(=O)CCCSCCCO 62a_100000737642_100011215043 [0,2,0,0,0,0|2,0,0]=4 15082 B12R0.251 CN(C)C(=O)CCCSCCCO 62a_100011215043_100000737642 [0,2,0,0,0,0|2,0,0]=4 15083 B12R0.251 CN(C)C(=O)CCNCCCCF 2230a_100000738053_100000729493 [0,2,0,0,0,0|2,0,0]=4 15084 B12R0.251 CN(C)C(=O)CCNCCCCO 2230a_100000738053_100000210776 [0,2,0,0,0,0|2,0,0]=4 15085 B12R0.251 CN(C)C(=O)CCNCCCCO 2230a_100000750430_100000737620 [0,2,0,0,0,0|2,0,0]=4 15086 B12R0.251 CN(C)C(=O)CCOCCCCCl 7a_100000210776_100000737620 [0,2,0,0,0,0|2,0,0]=4 15087 B12R0.251 CN(C)C(=O)CCOCCCCF 34a_200000747469_100000729493 [0,2,0,0,0,0|2,0,0]=4 15088 B12R0.251 CN(C)C(=O)CCOCCCCF 7a_100011995726_100000737620 [0,2,0,0,0,0|2,0,0]=4 15089 B12R0.251 CN(C)C(=O)CCOCCCCO 34a_200000747469_100011216708 [0,2,0,0,0,0|2,0,0]=4 15090 B12R0.251 CN(C)C(=O)CCSCCCCF 62a_100000729493_100000737620 [0,2,0,0,0,0|2,0,0]=4 15091 B12R0.251 CN(C)C(=O)CCSCCCCF 62a_100000737620_100000729493 [0,2,0,0,0,0|2,0,0]=4 15092 B12R0.251 CN(C)C(=O)CCSCCCCO 62a_100000210776_100000737620 [0,2,0,0,0,0|2,0,0]=4 15093 B12R0.251 CN(C)C(=O)CCSCCCCO 62a_100000737620_100000210776 [0,2,0,0,0,0|2,0,0]=4 15094 B12R0.251 CN(C)C(=O)CNCCCCCF 2230a_100015183351_100000729378 [0,2,0,0,0,0|2,0,0]=4 15095 B12R0.251 CN(C)C(=O)CNCCCCCO 2230a_100000762737_100000185267 [0,2,0,0,0,0|2,0,0]=4 15096 B12R0.251 CN(C)C(=O)CNCCCCCO 2230a_100015183351_100000746330 [0,2,0,0,0,0|2,0,0]=4 15097 B12R0.251 CN(C)C(=O)CNCCCCCO 34a_100000762737_100000692301 [0,2,0,0,0,0|2,0,0]=4 15098 B12R0.251 CN(C)C(=O)COCCCCCBr 34a_100000746331_100000692301 [0,2,0,0,0,0|2,0,0]=4 15099 B12R0.251 CN(C)C(=O)COCCCCCBr 7a_100000746331_100000692301 [0,2,0,0,0,0|2,0,0]=4 15100 B12R0.251 CN(C)C(=O)COCCCCCCl 34a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 15101 B12R0.251 CN(C)C(=O)COCCCCCCl 7a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 15102 B12R0.251 CN(C)C(=O)COCCCCCI 34a_200012148887_100000692301 [0,2,0,0,0,0|2,0,0]=4 15103 B12R0.251 CN(C)C(=O)COCCCCCI 7a_200012148887_100000692301 [0,2,0,0,0,0|2,0,0]=4 15104 B12R0.251 CN(C)C(=O)COCCCCCN 34a_100000762737_100000692301 [0,2,0,0,0,0|2,0,0]=4 15105 B12R0.251 CN(C)C(=O)CSCCCCCF 62a_100000692301_100000729378 [0,2,0,0,0,0|2,0,0]=4 15106 B12R0.251 CN(C)C(=O)CSCCCCCF 62a_100000729378_100000692301 [0,2,0,0,0,0|2,0,0]=4 15107 B12R0.251 CN(C)C(=O)CSCCCCCO 62a_100000692301_100000746330 [0,2,0,0,0,0|2,0,0]=4 15108 B12R0.251 CN(C)C(=O)CSCCCCCO 62a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 15109 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [0,2,0,0,0,0|1,0,0]=3 15110 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [0,2,0,0,0,0|1,0,0]=3 15111 B12R0.251 COCCCCCCC(=O)C(O)O 1458a_100000233687_100011998445 [0,2,0,0,0,0|2,0,0]=4 15112 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [0,2,0,0,0,0|1,0,0]=3 15113 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [0,2,0,0,0,0|1,0,0]=3 15114 B12R0.251 COCCCCCNC(=O)C(C)C 11a_100000747528_100000210198 [0,2,0,0,0,0|2,0,0]=4 15115 B12R0.251 COCCCCCNC(=O)C(C)C 1626a_100000747528_100000210198 [0,2,0,0,0,0|2,0,0]=4 15116 B12R0.251 COCCCCCNC(=O)C(C)C 240690a_100000747528_100000210198 [0,2,0,0,0,0|2,0,0]=4 15117 B12R0.251 COCCCCCNC(=O)C(C)C 527a_100000747528_100000210198 [0,2,0,0,0,0|2,0,0]=4 15118 B12R0.251 COCCCCCNC(=O)C(C)F 11a_100000747528_100000062450 [0,2,0,0,0,0|2,0,0]=4 15119 B12R0.251 COCCCCCNC(=O)C(C)F 1626a_100000747528_100000062450 [0,2,0,0,0,0|2,0,0]=4 15120 B12R0.251 COCCCCCNC(=O)C(C)F 240690a_100000747528_100000062450 [0,2,0,0,0,0|2,0,0]=4 15121 B12R0.251 COCCCCCNC(=O)C(C)F 527a_100000747528_100000062450 [0,2,0,0,0,0|2,0,0]=4 15122 B12R0.251 COCCCCCNC(=O)N(C)C 2708a_100000747528_100102631434 [0,2,0,0,0,0|2,0,0]=4 15123 B12R0.251 COCCCCCNC(=O)[C@@H](C)O 240690a_100000747528_100000717761 [0,2,0,0,0,0|2,0,0]=4 15124 B12R0.251 COCCCCCNC(=O)[C@H](C)O 1626a_100000747528_217856618621 [0,2,0,0,0,0|2,0,0]=4 15125 B12R0.251 COCCCCCNC(=O)[C@H](C)O 240690a_100000747528_217856618621 [0,2,0,0,0,0|2,0,0]=4 15126 B12R0.251 COCCCCNCC(=O)N(C)C 2230a_100015183351_100000730899 [0,2,0,0,0,0|2,0,0]=4 15127 B12R0.251 COCCCCOCC(=O)C(=O)C 34a_100000740925_100011261029 [0,2,0,0,0,0|2,0,0]=4 15128 B12R0.251 COCCCCOCC(=O)C(C)C 34a_100000740925_100000753385 [0,2,0,0,0,0|2,0,0]=4 15129 B12R0.251 COCCCCOCC(=O)N(C)C 34a_100000740925_100000692301 [0,2,0,0,0,0|2,0,0]=4 15130 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100000730899_100011261029 [0,2,0,0,0,0|2,0,0]=4 15131 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100011261029_100000730899 [0,2,0,0,0,0|2,0,0]=4 15132 B12R0.251 COCCCCSCC(=O)C(C)C 62a_100000730899_100000753385 [0,2,0,0,0,0|2,0,0]=4 15133 B12R0.251 COCCCCSCC(=O)C(C)C 62a_100000753385_100000730899 [0,2,0,0,0,0|2,0,0]=4 15134 B12R0.251 COCCCCSCC(=O)N(C)C 62a_100000692301_100000730899 [0,2,0,0,0,0|2,0,0]=4 15135 B12R0.251 COCCCCSCC(=O)N(C)C 62a_100000730899_100000692301 [0,2,0,0,0,0|2,0,0]=4 15136 B12R0.251 COCCCNCCC(=O)N(C)C 2230a_100000738053_100000740836 [0,2,0,0,0,0|2,0,0]=4 15137 B12R0.251 COCCCOCCC(=O)N(C)C 34a_200000747469_100000740836 [0,2,0,0,0,0|2,0,0]=4 15138 B12R0.251 COCCCSCCC(=O)N(C)C 62a_100000709357_100000737620 [0,2,0,0,0,0|2,0,0]=4 15139 B12R0.251 COCCCSCCC(=O)N(C)C 62a_100000737620_100000709357 [0,2,0,0,0,0|2,0,0]=4 15140 B12R0.251 COCCNCCCC(=O)N(C)C 2230a_100000209980_100000737642 [0,2,0,0,0,0|2,0,0]=4 15141 B12R0.251 COCCNCCCC(=O)N(C)C 2230a_200000744827_100011201679 [0,2,0,0,0,0|2,0,0]=4 15142 B12R0.251 COCCOCCCC(=O)C(C)C 1458a_100000210198_100011216529 [0,2,0,0,0,0|2,0,0]=4 15143 B12R0.251 COCCOCCCC(=O)C(C)F 1458a_100000062450_100011216529 [0,2,0,0,0,0|2,0,0]=4 15144 B12R0.251 COCCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216529 [0,2,0,0,0,0|2,0,0]=4 15145 B12R0.251 COCCOCCCC(=O)[C@H](C)O 1458a_217856618621_100011216529 [0,2,0,0,0,0|2,0,0]=4 15146 B12R0.251 COCCSCCCC(=O)N(C)C 62a_100000233755_100000737642 [0,2,0,0,0,0|2,0,0]=4 15147 B12R0.251 COCCSCCCC(=O)N(C)C 62a_100000737642_100000233755 [0,2,0,0,0,0|2,0,0]=4 15148 B12R0.251 COCSCCCCC(=O)N(C)C 62a_100000752486_100000766300 [0,2,0,0,0,0|2,0,0]=4 15149 B12R0.251 COCSCCCCC(=O)N(C)C 62a_100000766300_100000752486 [0,2,0,0,0,0|2,0,0]=4 15150 B12R0.251 CSCCCCOCC(=O)C(=O)C 34a_100011217163_100011261029 [0,2,0,0,0,0|2,0,0]=4 15151 B12R0.251 CSCCCCOCC(=O)C(C)C 34a_100011217163_100000753385 [0,2,0,0,0,0|2,0,0]=4 15152 B12R0.251 CSCCCCOCC(=O)C(C)C 7a_100011217163_100000753385 [0,2,0,0,0,0|2,0,0]=4 15153 B12R0.251 CSCCCCOCC(=O)N(C)C 34a_100011217163_100000692301 [0,2,0,0,0,0|2,0,0]=4 15154 B12R0.251 CSCCCCOCC(=O)N(C)C 7a_100011217163_100000692301 [0,2,0,0,0,0|2,0,0]=4 15155 B12R0.251 CSCCCNCCC(=O)N(C)C 2230a_100000749238_100000737620 [0,2,0,0,0,0|2,0,0]=4 15156 B12R0.251 CSCCCOCCC(=O)N(C)C 7a_100000690336_100000737620 [0,2,0,0,0,0|2,0,0]=4 15157 B12R0.251 CSCCNCCCC(=O)N(C)C 2230a_100020590264_100000737642 [0,2,0,0,0,0|2,0,0]=4 15158 B12R0.251 CSCCNCCCC(=O)N(C)C 2230a_200000744827_100000751147 [0,2,0,0,0,0|2,0,0]=4 15159 B12R0.251 CSCCOCCCC(=O)N(C)C 7a_100000230434_100000737642 [0,2,0,0,0,0|2,0,0]=4 15160 B12R0.251 CSCCSCCCC(=O)N(C)C 62a_100000212216_100000737642 [0,2,0,0,0,0|2,0,0]=4 15161 B12R0.251 CSCCSCCCC(=O)N(C)C 62a_100000737642_100000751147 [0,2,0,0,0,0|2,0,0]=4 15162 B12R0.251 CSCSCCCCC(=O)N(C)C 62a_100000752486_100011218213 [0,2,0,0,0,0|2,0,0]=4 15163 B12R0.251 CSCSCCCCC(=O)N(C)C 62a_100011218213_100000752486 [0,2,0,0,0,0|2,0,0]=4 15164 B12R0.251 C[C@@H](O)C(=O)CCCCCCC#N 1458a_100000717761_100009813337 [0,2,0,0,0,0|1,0,1]=4 15165 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [0,2,0,0,0,0|1,0,0]=3 15166 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [0,2,0,0,0,0|2,0,0]=4 15167 B12R0.251 C[C@H](O)C(=O)CCCCCCC#N 1458a_217856618621_100009813337 [0,2,0,0,0,0|1,0,1]=4 15168 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [0,2,0,0,0,0|1,0,0]=3 15169 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [0,2,0,0,0,0|2,0,0]=4 15170 B12R0.251 O=C(CCCCCCCO)C(O)O 1458a_100000233687_100000760002 [0,2,0,0,0,0|2,0,0]=4 15171 B12R0.312 CCCCCCCCS(=O)(=O)NC 270084a_100102657272_100011218563 [0,2,0,0,0,0|2,0,0]=4 15172 B12R0.312 CCCCCCCCS(=O)(=O)NC 274078a_100102657272_100011218563 [0,2,0,0,0,0|2,0,0]=4 15173 B12R0.312 CCCCCCCNS(=O)(=O)CC 270084a_100000229938_100000211323 [0,2,0,0,0,0|2,0,0]=4 15174 B12R0.312 CCCCCCCNS(=O)(=O)CC 274078a_100000229938_100000211323 [0,2,0,0,0,0|2,0,0]=4 15175 B12R0.312 CCCCCCCNS(=O)(=O)CC 40a_100000229938_100000053943 [0,2,0,0,0,0|2,0,0]=4 15176 B12R0.312 CCCCCCNCC(C)(C)OC 2230a_100000763424_100000210314 [0,2,0,0,0,0|1,0,1]=4 15177 B12R0.312 CCCCCCOCC(C)(C)OC 34a_100000210259_100000701081 [0,2,0,0,0,0|1,0,1]=4 15178 B12R0.312 CCCCCCSCC(C)(C)OC 62a_100000210314_100000701081 [0,2,0,0,0,0|1,0,1]=4 15179 B12R0.312 CCCCCCSCC(C)(C)OC 62a_100000701081_100000210757 [0,2,0,0,0,0|1,0,1]=4 15180 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000209983_100000756660 [0,2,0,0,0,0|2,0,0]=4 15181 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210326 [0,2,0,0,0,0|2,0,0]=4 15182 B12R0.312 CCCCCNCCS(=O)(=O)CC 34a_100000751051_100000718602 [0,2,0,0,0,0|2,0,0]=4 15183 B12R0.312 CCCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210326 [0,2,0,0,0,0|2,0,0]=4 15184 B12R0.312 CCCCCNCCS(=O)(=O)NC 34a_100000710037_100000718602 [0,2,0,0,0,0|2,0,0]=4 15185 B12R0.312 CCCCCOCCC(C)(C)OC 7a_100000699976_100000210326 [0,2,0,0,0,0|1,0,1]=4 15186 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_100000210253_100000756660 [0,2,0,0,0,0|2,0,0]=4 15187 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_200011216379_100000718602 [0,2,0,0,0,0|2,0,0]=4 15188 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_100000210253_100000756660 [0,2,0,0,0,0|2,0,0]=4 15189 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210326 [0,2,0,0,0,0|2,0,0]=4 15190 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000210326_100000756660 [0,2,0,0,0,0|2,0,0]=4 15191 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210326 [0,2,0,0,0,0|2,0,0]=4 15192 B12R0.42 C=C(C)C(=O)CCCCCC(C)C 1458a_100000185857_100000210682 [0,2,0,0,0,0|1,0,0]=3 15193 B12R0.42 CC(=O)C(=O)CNCCCC(C)C 34a_200000737386_100011261029 [0,2,0,0,0,0|2,0,0]=4 15194 B12R0.42 CC(=O)C(=O)COCCCC(C)C 34a_100000210774_100011261029 [0,2,0,0,0,0|2,0,0]=4 15195 B12R0.42 CC(=O)C(=O)CSCCCC(C)C 62a_100011214892_100011261029 [0,2,0,0,0,0|2,0,0]=4 15196 B12R0.42 CC(=O)C(=O)CSCCCC(C)C 62a_100011261029_100011214892 [0,2,0,0,0,0|2,0,0]=4 15197 B12R0.42 CC(=O)C(=O)CSCCCC(C)O 62a_100011261029_200000718107 [0,2,0,0,0,0|2,0,0]=4 15198 B12R0.42 CC(=O)C(=O)CSCCCC(C)O 62a_200000718107_100011261029 [0,2,0,0,0,0|2,0,0]=4 15199 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000210198_100000210682 [0,2,0,0,0,0|1,0,0]=3 15200 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000766313_100000210206 [0,2,0,0,0,0|1,0,0]=3 15201 B12R0.42 CC(C)CCCCCC(=O)C(C)F 1458a_100000062450_100000210682 [0,2,0,0,0,0|1,0,0]=3 15202 B12R0.42 CC(C)CCCCCC(=O)C(O)O 1458a_100000233687_100000210682 [0,2,0,0,0,0|2,0,0]=4 15203 B12R0.42 CC(C)CCCCCC(=O)N(C)C 11a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 15204 B12R0.42 CC(C)CCCCCC(=O)N(C)C 1626a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 15205 B12R0.42 CC(C)CCCCCC(=O)N(C)C 240690a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 15206 B12R0.42 CC(C)CCCCCC(=O)N(C)C 527a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 15207 B12R0.42 CC(C)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210682 [0,2,0,0,0,0|1,0,0]=3 15208 B12R0.42 CC(C)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210682 [0,2,0,0,0,0|1,0,0]=3 15209 B12R0.42 CC(C)CCCNCC(=O)C(C)C 2230a_200000737386_100000753385 [0,2,0,0,0,0|2,0,0]=4 15210 B12R0.42 CC(C)CCCNCC(=O)C(C)C 34a_200000737386_100000753385 [0,2,0,0,0,0|2,0,0]=4 15211 B12R0.42 CC(C)CCCNCC(=O)N(C)C 2230a_100015183351_100011214892 [0,2,0,0,0,0|2,0,0]=4 15212 B12R0.42 CC(C)CCCNCC(=O)N(C)C 2230a_200000737386_100000185267 [0,2,0,0,0,0|2,0,0]=4 15213 B12R0.42 CC(C)CCCNCC(=O)N(C)C 34a_200000737386_100000692301 [0,2,0,0,0,0|2,0,0]=4 15214 B12R0.42 CC(C)CCCOCC(=O)C(C)C 34a_100000210774_100000753385 [0,2,0,0,0,0|2,0,0]=4 15215 B12R0.42 CC(C)CCCOCC(=O)C(C)C 7a_100000210774_100000753385 [0,2,0,0,0,0|2,0,0]=4 15216 B12R0.42 CC(C)CCCOCC(=O)N(C)C 34a_100000210774_100000692301 [0,2,0,0,0,0|2,0,0]=4 15217 B12R0.42 CC(C)CCCOCC(=O)N(C)C 7a_100000210774_100000692301 [0,2,0,0,0,0|2,0,0]=4 15218 B12R0.42 CC(C)CCCSCC(=O)C(C)C 62a_100000753385_100011214892 [0,2,0,0,0,0|2,0,0]=4 15219 B12R0.42 CC(C)CCCSCC(=O)C(C)C 62a_100011214892_100000753385 [0,2,0,0,0,0|2,0,0]=4 15220 B12R0.42 CC(C)CCCSCC(=O)N(C)C 62a_100000692301_100011214892 [0,2,0,0,0,0|2,0,0]=4 15221 B12R0.42 CC(C)CCCSCC(=O)N(C)C 62a_100011214892_100000692301 [0,2,0,0,0,0|2,0,0]=4 15222 B12R0.42 CC(C)CCNCCC(=O)N(C)C 2230a_100000738053_100000210312 [0,2,0,0,0,0|2,0,0]=4 15223 B12R0.42 CC(C)CCNCCC(=O)N(C)C 269862a_100000738053_100000185833 [0,2,0,0,0,0|2,0,0]=4 15224 B12R0.42 CC(C)CCOCCC(=O)N(C)C 34a_200000747469_100000210312 [0,2,0,0,0,0|2,0,0]=4 15225 B12R0.42 CC(C)CCOCCC(=O)N(C)C 7a_100000210254_100000737620 [0,2,0,0,0,0|2,0,0]=4 15226 B12R0.42 CC(C)CCSCCC(=O)N(C)C 62a_100000210312_100000737620 [0,2,0,0,0,0|2,0,0]=4 15227 B12R0.42 CC(C)CCSCCC(=O)N(C)C 62a_100000737620_100000210312 [0,2,0,0,0,0|2,0,0]=4 15228 B12R0.42 CC(C)CNCCCC(=O)N(C)C 2230a_100000210953_100000737642 [0,2,0,0,0,0|2,0,0]=4 15229 B12R0.42 CC(C)CNCCCC(=O)N(C)C 2230a_200000744827_100000210760 [0,2,0,0,0,0|2,0,0]=4 15230 B12R0.42 CC(C)CNCCCC(=O)N(C)C 270004a_200000744827_100000210432 [0,2,0,0,0,0|2,0,0]=4 15231 B12R0.42 CC(C)CSCCCC(=O)N(C)C 62a_100000210624_100000737642 [0,2,0,0,0,0|2,0,0]=4 15232 B12R0.42 CC(C)CSCCCC(=O)N(C)C 62a_100000737642_100000210760 [0,2,0,0,0,0|2,0,0]=4 15233 B12R0.42 CC(C)NCCCCC(=O)N(C)C 34a_100138425928_100000752486 [0,2,0,0,0,0|2,0,0]=4 15234 B12R0.42 CC(C)OCCCCC(=O)N(C)C 34a_100000212225_100000752486 [0,2,0,0,0,0|2,0,0]=4 15235 B12R0.42 CC(C)SCCCCC(=O)N(C)C 62a_100000210206_100000752486 [0,2,0,0,0,0|2,0,0]=4 15236 B12R0.42 CC(C)SCCCCC(=O)N(C)C 62a_100000752486_100000210206 [0,2,0,0,0,0|2,0,0]=4 15237 B12R0.42 CC(O)CCCNCC(=O)N(C)C 2230a_100015183351_200000718107 [0,2,0,0,0,0|2,0,0]=4 15238 B12R0.42 CC(O)CCCSCC(=O)C(C)C 62a_100000753385_200000718107 [0,2,0,0,0,0|2,0,0]=4 15239 B12R0.42 CC(O)CCCSCC(=O)C(C)C 62a_200000718107_100000753385 [0,2,0,0,0,0|2,0,0]=4 15240 B12R0.42 CC(O)CCCSCC(=O)N(C)C 62a_100000692301_200000718107 [0,2,0,0,0,0|2,0,0]=4 15241 B12R0.42 CC(O)CCCSCC(=O)N(C)C 62a_200000718107_100000692301 [0,2,0,0,0,0|2,0,0]=4 15242 B12R0.42 CC(O)CCNCCC(=O)N(C)C 2230a_100000738053_100012276601 [0,2,0,0,0,0|2,0,0]=4 15243 B12R0.42 CC(O)CCNCCC(=O)N(C)C 2230a_200000755665_100000737620 [0,2,0,0,0,0|2,0,0]=4 15244 B12R0.42 CC(O)CCOCCC(=O)N(C)C 34a_200000747469_100012276601 [0,2,0,0,0,0|2,0,0]=4 15245 B12R0.42 CC(O)CCSCCC(=O)N(C)C 62a_100000737620_100012276601 [0,2,0,0,0,0|2,0,0]=4 15246 B12R0.42 CC(O)CCSCCC(=O)N(C)C 62a_100012276601_100000737620 [0,2,0,0,0,0|2,0,0]=4 15247 B12R0.42 CC(O)CNCCCC(=O)N(C)C 2230a_100000210904_100000737642 [0,2,0,0,0,0|2,0,0]=4 15248 B12R0.42 CC(O)CNCCCC(=O)N(C)C 2230a_200000744827_100011218427 [0,2,0,0,0,0|2,0,0]=4 15249 B12R0.42 CC(O)CSCCCC(=O)N(C)C 62a_100000737642_100011218427 [0,2,0,0,0,0|2,0,0]=4 15250 B12R0.42 CC(O)CSCCCC(=O)N(C)C 62a_100011218427_100000737642 [0,2,0,0,0,0|2,0,0]=4 15251 B12R0.42 C[C@@H](O)CNCCCC(=O)N(C)C 2230a_200000744827_100009817552 [0,2,0,0,0,0|2,0,0]=4 15252 B12R0.42 C[C@@H](O)CSCCCC(=O)N(C)C 62a_100000737642_100009817552 [0,2,0,0,0,0|2,0,0]=4 15253 B12R0.42 C[C@@H](O)CSCCCC(=O)N(C)C 62a_100009817552_100000737642 [0,2,0,0,0,0|2,0,0]=4 15254 B12R0.46 C=C(C)C(=O)C(C)CCCCCC 1458a_100000185857_100011215978 [0,2,0,0,0,0|1,0,0]=3 15255 B12R0.46 C=C(C)C(=O)N(C)CCCCCC 11a_106256046315_100000185857 [0,2,0,0,0,0|2,0,0]=4 15256 B12R0.46 C=C(C)C(=O)N(C)CCCCCC 1626a_106256046315_100000185857 [0,2,0,0,0,0|2,0,0]=4 15257 B12R0.46 CCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210757 [0,2,0,0,0,0|1,0,1]=4 15258 B12R0.46 CCCCCCC(C)C(=O)C(C)C 1458a_100000210198_100011215978 [0,2,0,0,0,0|1,0,0]=3 15259 B12R0.46 CCCCCCC(C)C(=O)C(C)F 1458a_100000062450_100011215978 [0,2,0,0,0,0|1,0,0]=3 15260 B12R0.46 CCCCCCC(C)C(=O)C(O)O 1458a_100000233687_100011215978 [0,2,0,0,0,0|2,0,0]=4 15261 B12R0.46 CCCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100011215978 [0,2,0,0,0,0|1,0,0]=3 15262 B12R0.46 CCCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100011215978 [0,2,0,0,0,0|1,0,0]=3 15263 B12R0.46 CCCCCCC(O)C(=O)C(C)C 1458a_100011215828_100000210206 [0,2,0,0,0,0|1,0,0]=3 15264 B12R0.46 CCCCCCC(O)C(=O)N(C)C 240690a_100102631434_100011215828 [0,2,0,0,0,0|1,0,0]=3 15265 B12R0.46 CCCCCCN(C)C(=O)C(C)C 11a_106256046315_100000210198 [0,2,0,0,0,0|2,0,0]=4 15266 B12R0.46 CCCCCCN(C)C(=O)C(C)C 1626a_106256046315_100000210198 [0,2,0,0,0,0|2,0,0]=4 15267 B12R0.46 CCCCCCN(C)C(=O)C(C)C 240690a_106256046315_100000210198 [0,2,0,0,0,0|2,0,0]=4 15268 B12R0.46 CCCCCCN(C)C(=O)C(C)C 527a_106256046315_100000210198 [0,2,0,0,0,0|2,0,0]=4 15269 B12R0.46 CCCCCCN(C)C(=O)C(C)F 11a_106256046315_100000062450 [0,2,0,0,0,0|2,0,0]=4 15270 B12R0.46 CCCCCCN(C)C(=O)C(C)F 1626a_106256046315_100000062450 [0,2,0,0,0,0|2,0,0]=4 15271 B12R0.46 CCCCCCN(C)C(=O)C(C)F 240690a_106256046315_100000062450 [0,2,0,0,0,0|2,0,0]=4 15272 B12R0.46 CCCCCCN(C)C(=O)C(C)F 527a_106256046315_100000062450 [0,2,0,0,0,0|2,0,0]=4 15273 B12R0.46 CCCCCCN(C)C(=O)[C@@H](C)O 240690a_106256046315_100000717761 [0,2,0,0,0,0|2,0,0]=4 15274 B12R0.46 CCCCCCN(C)C(=O)[C@H](C)O 1626a_106256046315_217856618621 [0,2,0,0,0,0|2,0,0]=4 15275 B12R0.46 CCCCCCN(C)C(=O)[C@H](C)O 240690a_106256046315_217856618621 [0,2,0,0,0,0|2,0,0]=4 15276 B12R0.46 CCCCCNC(C)C(=O)C(C)C 2230a_100000209983_100009893295 [0,2,0,0,0,0|2,0,0]=4 15277 B12R0.46 CCCCCNC(C)C(=O)N(C)C 2230a_100000209983_100000209910 [0,2,0,0,0,0|2,0,0]=4 15278 B12R0.46 CCCCCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210326 [0,2,0,0,0,0|2,0,0]=4 15279 B12R0.46 CCCCCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000718602 [0,2,0,0,0,0|2,0,0]=4 15280 B12R0.46 CCCCCOC(C)C(=O)C(C)C 7a_100000210253_100009893295 [0,2,0,0,0,0|2,0,0]=4 15281 B12R0.46 CCCCCOC(C)C(=O)N(C)C 7a_100000210253_100000209910 [0,2,0,0,0,0|2,0,0]=4 15282 B12R0.46 CCCCCSC(C)C(=O)C(C)C 62a_100000210326_100009893295 [0,2,0,0,0,0|2,0,0]=4 15283 B12R0.46 CCCCCSC(C)C(=O)C(C)C 62a_100009893295_100000210326 [0,2,0,0,0,0|2,0,0]=4 15284 B12R0.46 CCCCCSC(C)C(=O)N(C)C 62a_100000209910_100000210326 [0,2,0,0,0,0|2,0,0]=4 15285 B12R0.46 CCCCCSC(C)C(=O)N(C)C 62a_100000210326_100000209910 [0,2,0,0,0,0|2,0,0]=4 15286 B12R0.48 CCCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210211 [0,2,0,0,0,0|1,0,1]=4 15287 B12R0.48 CCCCC(C)CCC(=O)C(C)C 1458a_100000033779_100000210206 [0,2,0,0,0,0|1,0,0]=3 15288 B12R0.48 CCCCC(C)CCC(=O)N(C)C 11a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 15289 B12R0.48 CCCCC(C)CCC(=O)N(C)C 1626a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 15290 B12R0.48 CCCCC(C)CCC(=O)N(C)C 240690a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 15291 B12R0.48 CCCCC(C)CCC(=O)N(C)C 527a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 15292 B12R0.48 CCCCC(C)NCC(=O)C(C)C 2230a_100000126638_100000753385 [0,2,0,0,0,0|2,0,0]=4 15293 B12R0.48 CCCCC(C)NCC(=O)N(C)C 2230a_100000126638_100000185267 [0,2,0,0,0,0|2,0,0]=4 15294 B12R0.48 CCCCC(C)NCC(=O)N(C)C 2230a_100015183351_200011215066 [0,2,0,0,0,0|2,0,0]=4 15295 B12R0.48 CCCCC(C)NCC(=O)N(C)C 270004a_100015183351_100000210087 [0,2,0,0,0,0|2,0,0]=4 15296 B12R0.48 CCCCC(C)OCC(=O)C(=O)C 34a_100000687866_100011261029 [0,2,0,0,0,0|2,0,0]=4 15297 B12R0.48 CCCCC(C)OCC(=O)C(C)C 34a_100000687866_100000753385 [0,2,0,0,0,0|2,0,0]=4 15298 B12R0.48 CCCCC(C)OCC(=O)C(C)C 7a_100000687866_100000753385 [0,2,0,0,0,0|2,0,0]=4 15299 B12R0.48 CCCCC(C)OCC(=O)N(C)C 34a_100000687866_100000692301 [0,2,0,0,0,0|2,0,0]=4 15300 B12R0.48 CCCCC(C)OCC(=O)N(C)C 7a_100000687866_100000692301 [0,2,0,0,0,0|2,0,0]=4 15301 B12R0.48 CCCCC(C)SCC(=O)C(=O)C 62a_100011261029_200011215066 [0,2,0,0,0,0|2,0,0]=4 15302 B12R0.48 CCCCC(C)SCC(=O)C(=O)C 62a_200011215066_100011261029 [0,2,0,0,0,0|2,0,0]=4 15303 B12R0.48 CCCCC(C)SCC(=O)C(C)C 62a_100000753385_200011215066 [0,2,0,0,0,0|2,0,0]=4 15304 B12R0.48 CCCCC(C)SCC(=O)C(C)C 62a_200011215066_100000753385 [0,2,0,0,0,0|2,0,0]=4 15305 B12R0.48 CCCCC(C)SCC(=O)N(C)C 62a_100000692301_200011215066 [0,2,0,0,0,0|2,0,0]=4 15306 B12R0.48 CCCCC(C)SCC(=O)N(C)C 62a_200011215066_100000692301 [0,2,0,0,0,0|2,0,0]=4 15307 B12R0.48 CCCCN(C)CCC(=O)N(C)C 2230a_100000207549_100000737620 [0,2,0,0,0,0|2,0,0]=4 15308 B12R0.48 CCCCN(C)CCC(=O)N(C)C 269982a_100000207549_100000737620 [0,2,0,0,0,0|2,0,0]=4 15309 B12R0.123 C=C(C)C(=O)CC(=O)CCCCC 1458a_100000185857_200012276598 [0,2,0,0,0,0|1,0,1]=4 15310 B12R0.123 C=C(C)C(=O)NC(C)CCCCC 11a_100000211957_100000185857 [0,2,0,0,0,0|2,0,0]=4 15311 B12R0.123 C=C(C)C(=O)NC(C)CCCCC 1626a_100000211957_100000185857 [0,2,0,0,0,0|2,0,0]=4 15312 B12R0.123 CCCCCC(=O)CC(=O)C(=O)C 1458a_100000212188_100011261029 [0,2,0,0,0,0|1,0,1]=4 15313 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000210198_200012276598 [0,2,0,0,0,0|1,0,1]=4 15314 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000212188_100000753385 [0,2,0,0,0,0|1,0,1]=4 15315 B12R0.123 CCCCCC(=O)CC(=O)C(C)F 1458a_100000062450_200012276598 [0,2,0,0,0,0|1,0,1]=4 15316 B12R0.123 CCCCCC(=O)CC(=O)N(C)C 1458a_100000212188_100000185267 [0,2,0,0,0,0|1,0,1]=4 15317 B12R0.123 CCCCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200012276598 [0,2,0,0,0,0|1,0,1]=4 15318 B12R0.123 CCCCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200012276598 [0,2,0,0,0,0|1,0,1]=4 15319 B12R0.123 CCCCCC(C)NC(=O)C(C)C 11a_100000211957_100000210198 [0,2,0,0,0,0|2,0,0]=4 15320 B12R0.123 CCCCCC(C)NC(=O)C(C)C 1626a_100000211957_100000210198 [0,2,0,0,0,0|2,0,0]=4 15321 B12R0.123 CCCCCC(C)NC(=O)C(C)C 240690a_100000211957_100000210198 [0,2,0,0,0,0|2,0,0]=4 15322 B12R0.123 CCCCCC(C)NC(=O)C(C)C 527a_100000211957_100000210198 [0,2,0,0,0,0|2,0,0]=4 15323 B12R0.123 CCCCCC(C)NC(=O)C(C)F 11a_100000211957_100000062450 [0,2,0,0,0,0|2,0,0]=4 15324 B12R0.123 CCCCCC(C)NC(=O)C(C)F 1626a_100000211957_100000062450 [0,2,0,0,0,0|2,0,0]=4 15325 B12R0.123 CCCCCC(C)NC(=O)C(C)F 240690a_100000211957_100000062450 [0,2,0,0,0,0|2,0,0]=4 15326 B12R0.123 CCCCCC(C)NC(=O)C(C)F 527a_100000211957_100000062450 [0,2,0,0,0,0|2,0,0]=4 15327 B12R0.123 CCCCCC(C)NC(=O)N(C)C 2708a_100000211957_100102631434 [0,2,0,0,0,0|2,0,0]=4 15328 B12R0.123 CCCCCC(C)NC(=O)[C@@H](C)O 240690a_100000211957_100000717761 [0,2,0,0,0,0|2,0,0]=4 15329 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 1626a_100000211957_217856618621 [0,2,0,0,0,0|2,0,0]=4 15330 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 240690a_100000211957_217856618621 [0,2,0,0,0,0|2,0,0]=4 15331 B12R0.123 CCCCCN(C)CC(=O)C(=O)C 269982a_100000223495_100011261029 [0,2,0,0,0,0|2,0,0]=4 15332 B12R0.123 CCCCCN(C)CC(=O)C(C)C 2230a_100000223495_100000753385 [0,2,0,0,0,0|2,0,0]=4 15333 B12R0.123 CCCCCN(C)CC(=O)C(C)C 269982a_100000223495_100000753385 [0,2,0,0,0,0|2,0,0]=4 15334 B12R0.123 CCCCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210326 [0,2,0,0,0,0|2,0,0]=4 15335 B12R0.123 CCCCCN(C)CC(=O)N(C)C 2230a_100000223495_100000185267 [0,2,0,0,0,0|2,0,0]=4 15336 B12R0.123 CCCCCN(C)CC(=O)N(C)C 269982a_100000223495_100000185267 [0,2,0,0,0,0|2,0,0]=4 15337 B12R0.186 C=C(C)C(=O)CCCCC(=O)OC 1458a_100000185857_100000204269 [0,2,0,0,0,0|0,0,2]=4 15338 B12R0.186 CCC(=O)CCCCC(=O)N(C)C 1458a_100000210414_100000752486 [0,2,0,0,0,0|1,0,1]=4 15339 B12R0.186 CCC(C)CCNCC(=O)C(C)C 2230a_100020591266_100000753385 [0,2,0,0,0,0|2,0,0]=4 15340 B12R0.186 CCC(C)CCNCC(=O)N(C)C 2230a_100020591266_100000185267 [0,2,0,0,0,0|2,0,0]=4 15341 B12R0.186 CCC(C)CCOCC(=O)C(C)C 7a_100011215188_100000753385 [0,2,0,0,0,0|2,0,0]=4 15342 B12R0.186 CCC(C)CCOCC(=O)N(C)C 7a_100011215188_100000692301 [0,2,0,0,0,0|2,0,0]=4 15343 B12R0.186 CCC(C)CNCCC(=O)N(C)C 2230a_100000738053_100000748023 [0,2,0,0,0,0|2,0,0]=4 15344 B12R0.186 CCC(C)CNCCC(=O)N(C)C 2230a_100020588543_100000737620 [0,2,0,0,0,0|2,0,0]=4 15345 B12R0.186 CCC(C)CNCCC(=O)N(C)C 270004a_100000738053_100000243153 [0,2,0,0,0,0|2,0,0]=4 15346 B12R0.186 CCC(C)COCCC(=O)N(C)C 34a_200000747469_100000748023 [0,2,0,0,0,0|2,0,0]=4 15347 B12R0.186 CCC(C)CSCCC(=O)N(C)C 62a_100000737620_100000748023 [0,2,0,0,0,0|2,0,0]=4 15348 B12R0.186 CCC(C)CSCCC(=O)N(C)C 62a_100000748023_100000737620 [0,2,0,0,0,0|2,0,0]=4 15349 B12R0.186 CCC(C)NCCCC(=O)N(C)C 2230a_100000209981_100000737642 [0,2,0,0,0,0|2,0,0]=4 15350 B12R0.186 CCC(C)NCCCC(=O)N(C)C 2230a_200000744827_100000758301 [0,2,0,0,0,0|2,0,0]=4 15351 B12R0.186 CCC(C)OCCCC(=O)N(C)C 7a_100000210228_100000737642 [0,2,0,0,0,0|2,0,0]=4 15352 B12R0.186 CCC(C)SCCCC(=O)N(C)C 62a_100000737642_100000758301 [0,2,0,0,0,0|2,0,0]=4 15353 B12R0.186 CCC(C)SCCCC(=O)N(C)C 62a_100000758301_100000737642 [0,2,0,0,0,0|2,0,0]=4 15354 B12R0.186 CCC(O)CNCCC(=O)N(C)C 2230a_100000738053_100011218378 [0,2,0,0,0,0|2,0,0]=4 15355 B12R0.186 CCC(O)CNCCC(=O)N(C)C 2230a_100011218483_100000737620 [0,2,0,0,0,0|2,0,0]=4 15356 B12R0.186 CCC(O)COCCC(=O)N(C)C 34a_200000747469_100011218378 [0,2,0,0,0,0|2,0,0]=4 15357 B12R0.186 CCC(O)CSCCC(=O)N(C)C 62a_100000737620_100011218378 [0,2,0,0,0,0|2,0,0]=4 15358 B12R0.186 CCC(O)CSCCC(=O)N(C)C 62a_100011218378_100000737620 [0,2,0,0,0,0|2,0,0]=4 15359 B12R0.186 CCN(C)CCCCC(=O)N(C)C 269982a_100000225621_100000752486 [0,2,0,0,0,0|2,0,0]=4 15360 B12R0.186 CC[C@H](C)CNCCC(=O)N(C)C 2230a_100000738053_100009816398 [0,2,0,0,0,0|2,0,0]=4 15361 B12R0.186 CC[C@H](C)COCCC(=O)N(C)C 34a_200000747469_100009816398 [0,2,0,0,0,0|2,0,0]=4 15362 B12R0.186 CC[C@H](C)COCCC(=O)N(C)C 7a_100009816381_100000737620 [0,2,0,0,0,0|2,0,0]=4 15363 B12R0.186 CC[C@H](C)CSCCC(=O)N(C)C 62a_100000737620_100009816398 [0,2,0,0,0,0|2,0,0]=4 15364 B12R0.186 CC[C@H](C)CSCCC(=O)N(C)C 62a_100009816398_100000737620 [0,2,0,0,0,0|2,0,0]=4 15365 B12R0.186 CNC(=O)CCCNC(C)C(C)C 2230a_100000211541_100000741757 [0,2,0,0,0,0|2,0,0]=4 15366 B12R0.186 CNC(=O)CCCOC(C)C(C)C 7a_100000748068_100000741757 [0,2,0,0,0,0|2,0,0]=4 15367 B12R0.186 CNC(=O)CCNCC(O)C(C)C 2230a_100000759067_100000737683 [0,2,0,0,0,0|2,0,0]=4 15368 B12R0.186 CNC(=O)CCNCC(O)C(C)C 34a_100000759067_100012179268 [0,2,0,0,0,0|2,0,0]=4 15369 B12R0.186 CNC(=O)CCOC[C@H](N)C(C)C 34a_100011830312_100012179268 [0,2,0,0,0,0|2,0,0]=4 15370 B12R0.186 CNC(=O)COCCC(N)C(C)C 34a_100161115045_100000183359 [0,2,0,0,0,0|2,0,0]=4 15371 B12R0.186 COC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000204269 [0,2,0,0,0,0|0,0,1]=3 15372 B12R0.186 COC(=O)CCCCC(=O)C(C)C 1458a_100000695723_100000210206 [0,2,0,0,0,0|0,0,1]=3 15373 B12R0.186 COC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000204269 [0,2,0,0,0,0|0,0,1]=3 15374 B12R0.186 COC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000204269 [0,2,0,0,0,0|1,0,1]=4 15375 B12R0.186 COC(=O)CCCCC(=O)N(C)C 11a_100102631434_100000695723 [0,2,0,0,0,0|1,0,1]=4 15376 B12R0.186 COC(=O)CCCCC(=O)N(C)C 1626a_100102631434_100000695723 [0,2,0,0,0,0|1,0,1]=4 15377 B12R0.186 COC(=O)CCCCC(=O)N(C)C 240690a_100102631434_100000695723 [0,2,0,0,0,0|1,0,1]=4 15378 B12R0.186 COC(=O)CCCCC(=O)N(C)C 527a_100102631434_100000695723 [0,2,0,0,0,0|1,0,1]=4 15379 B12R0.186 COC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000204269 [0,2,0,0,0,0|0,0,1]=3 15380 B12R0.186 COC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000204269 [0,2,0,0,0,0|0,0,1]=3 15381 B12R0.186 COC(=O)CCCCN(C)C(C)C 269982a_200000211004_100000204269 [0,2,0,0,0,0|1,0,0]=3 15382 B12R0.186 COC(=O)CCCNC(=O)C(C)C 188690a_100000184769_100000210198 [0,2,0,0,0,0|1,0,1]=4 15383 B12R0.186 COC(=O)CCCNC(=O)C(C)F 188690a_100000184769_100000062450 [0,2,0,0,0,0|1,0,1]=4 15384 B12R0.186 COC(=O)CCCNC(=O)[C@@H](C)O 188690a_100000184769_100000717761 [0,2,0,0,0,0|1,0,1]=4 15385 B12R0.186 COC(=O)CCCNC(=O)[C@H](C)O 188690a_100000184769_217856618621 [0,2,0,0,0,0|1,0,1]=4 15386 B12R0.186 COC(=O)CCCNC(C)C(C)C 2230a_100000211541_100011218270 [0,2,0,0,0,0|1,0,0]=3 15387 B12R0.186 COC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000742333 [0,2,0,0,0,0|1,0,1]=4 15388 B12R0.186 COC(=O)CCCOC(C)C(C)C 7a_100000748068_100011218270 [0,2,0,0,0,0|1,0,0]=3 15389 B12R0.186 COC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011218270 [0,2,0,0,0,0|1,0,1]=4 15390 B12R0.186 COC(=O)CCCSC(C)C(=O)C 62a_100011218270_100009814033 [0,2,0,0,0,0|1,0,1]=4 15391 B12R0.186 COC(=O)CCNCC(O)C(C)C 2230a_100000759067_100000204255 [0,2,0,0,0,0|1,0,0]=3 15392 B12R0.186 COC(=O)CCNCC(O)C(C)C 34a_100000759067_100000742370 [0,2,0,0,0,0|1,0,0]=3 15393 B12R0.186 COC(=O)CCOCC(C)C(=O)C 34a_100000032740_100000742370 [0,2,0,0,0,0|1,0,1]=4 15394 B12R0.186 COC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000204255 [0,2,0,0,0,0|1,0,1]=4 15395 B12R0.186 COC(=O)CCOC[C@H](N)C(C)C 34a_100011830312_100000742370 [0,2,0,0,0,0|1,0,0]=3 15396 B12R0.186 COC(=O)CCSCC(=O)C(C)C 62a_100000204255_100000753385 [0,2,0,0,0,0|1,0,1]=4 15397 B12R0.186 COC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000204255 [0,2,0,0,0,0|1,0,1]=4 15398 B12R0.186 COC(=O)COCCC(=O)C(C)C 1458a_100000210198_100000090808 [0,2,0,0,0,0|1,0,1]=4 15399 B12R0.186 COC(=O)COCCC(=O)C(C)F 1458a_100000062450_100000090808 [0,2,0,0,0,0|1,0,1]=4 15400 B12R0.186 COC(=O)COCCC(=O)[C@@H](C)O 1458a_100000717761_100000090808 [0,2,0,0,0,0|1,0,1]=4 15401 B12R0.186 COC(=O)COCCC(=O)[C@H](C)O 1458a_217856618621_100000090808 [0,2,0,0,0,0|1,0,1]=4 15402 B12R0.186 COC(=O)COCCC(N)C(C)C 34a_100161115045_100000747449 [0,2,0,0,0,0|1,0,0]=3 15403 B12R0.186 COC(=O)NCCCC(=O)C(C)C 1458a_100000753017_100000210206 [0,2,0,0,0,0|1,0,1]=4 15404 B12R0.201 CCCCCCCN(CC)C(=O)C 11a_100000228213_100015343762 [0,2,0,0,0,0|2,0,0]=4 15405 B12R0.201 CCCCCCCN(CC)C(=O)C 1626a_100000228213_100015343762 [0,2,0,0,0,0|2,0,0]=4 15406 B12R0.201 CCCCCCCN(CC)C(=O)C 240690a_100000228213_100015343762 [0,2,0,0,0,0|2,0,0]=4 15407 B12R0.201 CCCCCCCN(CC)C(=O)C 527a_100000228213_100103153847 [0,2,0,0,0,0|2,0,0]=4 15408 B12R0.237 CC(C)(C)C(=O)CCCCCCF 1458a_106744555173_100015922095 [0,2,0,0,0,0|2,0,0]=4 15409 B12R0.237 CC(C)(C)C(=O)CCCCCCO 1458a_106744555173_100000766143 [0,2,0,0,0,0|2,0,0]=4 15410 B12R0.237 CC(C)(F)C(=O)CCCCCCF 1458a_100000765255_100015922095 [0,2,0,0,0,0|2,0,0]=4 15411 B12R0.237 CC(C)(F)C(=O)CCCCCCO 1458a_100000765255_100000766143 [0,2,0,0,0,0|2,0,0]=4 15412 B12R0.237 CC(C)(O)C(=O)CCCCCCF 1458a_100000242741_100015922095 [0,2,0,0,0,0|2,0,0]=4 15413 B12R0.237 CC(C)(O)C(=O)CCCCCCO 1458a_100000242741_100000766143 [0,2,0,0,0,0|2,0,0]=4 15414 B12R0.237 CCCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210614 [0,2,0,0,0,0|1,0,0]=3 15415 B12R0.237 CCCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210614 [0,2,0,0,0,0|1,0,0]=3 15416 B12R0.237 CCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210614 [0,2,0,0,0,0|1,0,0]=3 15417 B12R0.237 CCCCCCCC(=O)C(F)(F)F 1458a_100000211969_200000243211 [0,2,0,0,0,0|2,0,0]=4 15418 B12R0.237 CCCCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210614 [0,2,0,0,0,0|2,0,0]=4 15419 B12R0.237 CCCCCCNC(=O)C(C)(C)C 11a_100000210581_106744555173 [0,2,0,0,0,0|2,0,0]=4 15420 B12R0.237 CCCCCCNC(=O)C(C)(C)C 1626a_100000210581_106744555173 [0,2,0,0,0,0|2,0,0]=4 15421 B12R0.237 CCCCCCNC(=O)C(C)(C)C 240690a_100000210581_106744555173 [0,2,0,0,0,0|2,0,0]=4 15422 B12R0.237 CCCCCCNC(=O)C(C)(C)C 527a_100000210581_106744555173 [0,2,0,0,0,0|2,0,0]=4 15423 B12R0.237 CCCCCCNC(=O)C(C)(C)F 11a_100000210581_100000765255 [0,2,0,0,0,0|2,0,0]=4 15424 B12R0.237 CCCCCCNC(=O)C(C)(C)F 1626a_100000210581_100000765255 [0,2,0,0,0,0|2,0,0]=4 15425 B12R0.237 CCCCCCNC(=O)C(C)(C)F 240690a_100000210581_100000765255 [0,2,0,0,0,0|2,0,0]=4 15426 B12R0.237 CCCCCCNC(=O)C(C)(C)F 527a_100000210581_100000765255 [0,2,0,0,0,0|2,0,0]=4 15427 B12R0.237 CCCCCCNC(=O)C(C)(C)O 240690a_100000210581_100000242741 [0,2,0,0,0,0|2,0,0]=4 15428 B12R0.237 CCCCCCNC(=O)C(C)(F)F 11a_100000210581_100000042251 [0,2,0,0,0,0|2,0,0]=4 15429 B12R0.237 CCCCCCNC(=O)C(C)(F)F 1626a_100000210581_100000042251 [0,2,0,0,0,0|2,0,0]=4 15430 B12R0.237 CCCCCCNC(=O)C(C)(F)F 240690a_100000210581_100000042251 [0,2,0,0,0,0|2,0,0]=4 15431 B12R0.237 CCCCCCNC(=O)C(C)(F)F 527a_100000210581_100000042251 [0,2,0,0,0,0|2,0,0]=4 15432 B12R0.237 CCCCCOCC(=O)C(C)(C)C 34a_100000210253_100000229897 [0,2,0,0,0,0|2,0,0]=4 15433 B12R0.237 CCCCCOCC(=O)C(C)(C)C 34a_200011592769_100000718602 [0,2,0,0,0,0|2,0,0]=4 15434 B12R0.237 CCCCCOCC(=O)C(C)(C)C 7a_100000210253_100000210923 [0,2,0,0,0,0|2,0,0]=4 15435 B12R0.237 CCCCCOCC(=O)C(C)(C)C 7a_200011592769_100000210326 [0,2,0,0,0,0|2,0,0]=4 15436 B12R0.237 CCCCCSCC(=O)C(C)(C)C 62a_100000210326_100000210923 [0,2,0,0,0,0|2,0,0]=4 15437 B12R0.237 CCCCCSCC(=O)C(C)(C)C 62a_100000210923_100000210326 [0,2,0,0,0,0|2,0,0]=4 15438 B12R0.237 CCCCOCCC(=O)C(C)(C)C 1458a_106744555173_100000743108 [0,2,0,0,0,0|2,0,0]=4 15439 B12R0.237 CCCCOCCC(=O)C(C)(C)F 1458a_100000765255_100000743108 [0,2,0,0,0,0|2,0,0]=4 15440 B12R0.237 CCCCOCCC(=O)C(C)(C)O 1458a_100000242741_100000743108 [0,2,0,0,0,0|2,0,0]=4 15441 B12R0.279 CCCC(=O)CCCC(=O)N(C)C 1458a_100000211992_100000737642 [0,2,0,0,0,0|1,0,1]=4 15442 B12R0.279 CCCC(C)CNCC(=O)N(C)C 2230a_100015183351_100011216630 [0,2,0,0,0,0|2,0,0]=4 15443 B12R0.279 CCCC(C)CNCC(=O)N(C)C 270004a_100015183351_100000243154 [0,2,0,0,0,0|2,0,0]=4 15444 B12R0.279 CCCC(C)COCC(=O)C(=O)C 34a_100000688023_100011261029 [0,2,0,0,0,0|2,0,0]=4 15445 B12R0.279 CCCC(C)COCC(=O)C(C)C 34a_100000688023_100000753385 [0,2,0,0,0,0|2,0,0]=4 15446 B12R0.279 CCCC(C)COCC(=O)C(C)C 7a_100000688023_100000753385 [0,2,0,0,0,0|2,0,0]=4 15447 B12R0.279 CCCC(C)COCC(=O)N(C)C 34a_100000688023_100000692301 [0,2,0,0,0,0|2,0,0]=4 15448 B12R0.279 CCCC(C)COCC(=O)N(C)C 7a_100000688023_100000692301 [0,2,0,0,0,0|2,0,0]=4 15449 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011216630_100011261029 [0,2,0,0,0,0|2,0,0]=4 15450 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011261029_100011216630 [0,2,0,0,0,0|2,0,0]=4 15451 B12R0.279 CCCC(C)CSCC(=O)C(C)C 62a_100000753385_100011216630 [0,2,0,0,0,0|2,0,0]=4 15452 B12R0.279 CCCC(C)CSCC(=O)C(C)C 62a_100011216630_100000753385 [0,2,0,0,0,0|2,0,0]=4 15453 B12R0.279 CCCC(C)CSCC(=O)N(C)C 62a_100000692301_100011216630 [0,2,0,0,0,0|2,0,0]=4 15454 B12R0.279 CCCC(C)CSCC(=O)N(C)C 62a_100011216630_100000692301 [0,2,0,0,0,0|2,0,0]=4 15455 B12R0.279 CCCC(C)NCCC(=O)N(C)C 2230a_100000738053_100000766640 [0,2,0,0,0,0|2,0,0]=4 15456 B12R0.279 CCCC(C)NCCC(=O)N(C)C 2230a_100000741246_100000737620 [0,2,0,0,0,0|2,0,0]=4 15457 B12R0.279 CCCC(C)NCCC(=O)N(C)C 270004a_100000738053_100000211909 [0,2,0,0,0,0|2,0,0]=4 15458 B12R0.279 CCCC(C)OCCC(=O)N(C)C 34a_200000747469_100000766640 [0,2,0,0,0,0|2,0,0]=4 15459 B12R0.279 CCCC(C)OCCC(=O)N(C)C 7a_100000764384_100000737620 [0,2,0,0,0,0|2,0,0]=4 15460 B12R0.279 CCCC(C)SCCC(=O)N(C)C 62a_100000737620_100000766640 [0,2,0,0,0,0|2,0,0]=4 15461 B12R0.279 CCCC(C)SCCC(=O)N(C)C 62a_100000766640_100000737620 [0,2,0,0,0,0|2,0,0]=4 15462 B12R0.279 CCCN(C)CCCC(=O)N(C)C 2230a_100000747261_100000737642 [0,2,0,0,0,0|2,0,0]=4 15463 B12R0.279 CCCN(C)CCCC(=O)N(C)C 269982a_100000747261_100000737642 [0,2,0,0,0,0|2,0,0]=4 15464 B12R0.279 CCC[C@H](N)COCC(=O)C(=O)C 34a_100000732646_100011261029 [0,2,0,0,0,0|2,0,0]=4 15465 B12R0.279 CCC[C@H](N)COCC(=O)C(C)C 34a_100000732646_100000753385 [0,2,0,0,0,0|2,0,0]=4 15466 B12R0.279 CCC[C@H](N)COCC(=O)N(C)C 34a_100000732646_100000692301 [0,2,0,0,0,0|2,0,0]=4 15467 B12R0.131 CCC(C)(C)COCCC(=O)NC 7a_100000765029_100000737683 [0,2,0,0,0,0|2,0,0]=4 15468 B12R0.131 CCC(C)(C)COCCC(=O)OC 7a_100000765029_100000204255 [0,2,0,0,0,0|1,0,0]=3 15469 B12R0.131 CCC(C)(C)NCCCC(=O)NC 2230a_100000211385_100000741757 [0,2,0,0,0,0|2,0,0]=4 15470 B12R0.131 CCC(C)(C)NCCCC(=O)OC 2230a_100000211385_100011218270 [0,2,0,0,0,0|1,0,0]=3 15471 B12R0.131 CCC(C)(C)OCCCC(=O)NC 7a_100000210230_100000741757 [0,2,0,0,0,0|2,0,0]=4 15472 B12R0.131 CCC(C)(C)OCCCC(=O)OC 7a_100000210230_100011218270 [0,2,0,0,0,0|1,0,0]=3 15473 B12R0.131 CCC(C)(C)SCCCC(=O)NC 62a_100000032637_100000741757 [0,2,0,0,0,0|2,0,0]=4 15474 B12R0.131 CCC(C)(C)SCCCC(=O)NC 62a_100000741757_100000032637 [0,2,0,0,0,0|2,0,0]=4 15475 B12R0.131 CCC(C)(C)SCCCC(=O)OC 62a_100000032637_100011218270 [0,2,0,0,0,0|1,0,0]=3 15476 B12R0.131 CCC(C)(C)SCCCC(=O)OC 62a_100011218270_100000032637 [0,2,0,0,0,0|1,0,0]=3 15477 B12R0.131 CCS(=O)(=O)CCNCC(=O)OC 2230a_100000751051_100000747449 [0,2,0,0,0,0|2,0,0]=4 15478 B12R0.131 CCS(=O)(=O)CCNCC(=O)OC 34a_100000751051_100000747449 [0,2,0,0,0,0|2,0,0]=4 15479 B12R0.131 CCS(=O)(=O)CCOCC(=O)OC 34a_200011216379_100000747449 [0,2,0,0,0,0|2,0,0]=4 15480 B12R0.131 CCS(=O)(=O)CCOCC(=O)OC 7a_200011216379_100000747449 [0,2,0,0,0,0|2,0,0]=4 15481 B12R0.131 CCS(=O)(=O)CCSCC(=O)OC 62a_100000747449_100000756660 [0,2,0,0,0,0|2,0,0]=4 15482 B12R0.131 CCS(=O)(=O)CCSCC(=O)OC 62a_100000756660_100000747449 [0,2,0,0,0,0|2,0,0]=4 15483 B12R0.131 CNS(=O)(=O)CCCCC(=O)OC 270084a_100102657272_100000055593 [0,2,0,0,0,0|2,0,0]=4 15484 B12R0.131 CNS(=O)(=O)CCCCC(=O)OC 274078a_100102657272_100000055593 [0,2,0,0,0,0|2,0,0]=4 15485 B12R0.131 COC(=O)CCCNC(C)(C)CO 2230a_100000210608_100011218270 [0,2,0,0,0,0|2,0,0]=4 15486 B12R0.131 COC(=O)CCCOC(C)(C)CCl 7a_100000764493_100011218270 [0,2,0,0,0,0|2,0,0]=4 15487 B12R0.131 COC(=O)CCCSC(F)(F)CO 62a_100011217949_100011218270 [0,2,0,0,0,0|2,0,0]=4 15488 B12R0.131 COC(=O)CCCSC(F)(F)CO 62a_100011218270_100011217949 [0,2,0,0,0,0|2,0,0]=4 15489 B12R0.131 COC(=O)CCNCC(C)(C)CO 2230a_100020635058_100000204255 [0,2,0,0,0,0|2,0,0]=4 15490 B12R0.131 COC(=O)CCNCC(C)(C)OC 2230a_100000763424_100000204255 [0,2,0,0,0,0|2,0,0]=4 15491 B12R0.131 COC(=O)CCOCC(C)(C)CCl 7a_100011217199_100000204255 [0,2,0,0,0,0|2,0,0]=4 15492 B12R0.131 COC(=O)CCOCC(F)(F)CN 34a_100000703232_100000742370 [0,2,0,0,0,0|2,0,0]=4 15493 B12R0.131 COC(=O)CCSCC(C)(C)CO 62a_100000204255_100009813988 [0,2,0,0,0,0|2,0,0]=4 15494 B12R0.131 COC(=O)CCSCC(C)(C)CO 62a_100009813988_100000204255 [0,2,0,0,0,0|2,0,0]=4 15495 B12R0.131 COC(=O)CCSCC(C)(C)OC 62a_100000204255_100000701081 [0,2,0,0,0,0|2,0,0]=4 15496 B12R0.131 COC(=O)CCSCC(C)(C)OC 62a_100000701081_100000204255 [0,2,0,0,0,0|2,0,0]=4 15497 B12R0.131 COC(=O)COCCC(C)(C)OC 7a_100000699976_100000747449 [0,2,0,0,0,0|2,0,0]=4 15498 B12R0.435 CCCCCOCP(=O)(OC)OC 34a_100000101693_100000718602 [0,2,0,0,0,0|2,0,0]=4 15499 B12R0.435 CCCCOCCP(=O)(OC)OC 34a_200000043213_100000210210 [0,2,0,0,0,0|2,0,0]=4 15500 B12R0.134 CCCCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210183 [0,2,0,0,0,0|1,0,1]=4 15501 B12R0.134 CCCCC(C)NC(=O)C(=O)OC 11a_100000126638_100000024059 [0,2,0,0,0,0|1,0,1]=4 15502 B12R0.134 CCCCC(C)NC(=O)C(=O)OC 1626a_100000126638_100000024059 [0,2,0,0,0,0|1,0,1]=4 15503 B12R0.134 CCCCC(C)NC(=O)C(=O)OC 240690a_100000126638_100000024059 [0,2,0,0,0,0|1,0,1]=4 15504 B12R0.134 CCCCC(C)NC(=O)C(=O)OC 527a_100000126638_100000024059 [0,2,0,0,0,0|1,0,1]=4 15505 B12R0.134 CCCCC(C)NC(C)C(=O)CC 2230a_100000126638_100000742827 [0,2,0,0,0,0|2,0,0]=4 15506 B12R0.134 CCCCC(C)NC(C)C(=O)NC 2230a_100000126638_100000731044 [0,2,0,0,0,0|2,0,0]=4 15507 B12R0.134 CCCCC(C)NC(C)C(=O)OC 2230a_100000126638_100000211248 [0,2,0,0,0,0|1,0,0]=3 15508 B12R0.134 CCCCC(C)NC(F)C(=O)NC 2230a_100000126638_100009813575 [0,2,0,0,0,0|2,0,0]=4 15509 B12R0.134 CCCCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_200011215066 [0,2,0,0,0,0|2,0,0]=4 15510 B12R0.134 CCCCC(C)N[C@H](C)C(=O)NC 34a_100000684985_200011215066 [0,2,0,0,0,0|2,0,0]=4 15511 B12R0.134 CCCCC(C)OC(C)C(=O)CC 7a_100000687866_100000742827 [0,2,0,0,0,0|2,0,0]=4 15512 B12R0.134 CCCCC(C)OC(C)C(=O)NC 34a_100000687866_100000731044 [0,2,0,0,0,0|2,0,0]=4 15513 B12R0.134 CCCCC(C)OC(C)C(=O)NC 7a_100000687866_100000209862 [0,2,0,0,0,0|2,0,0]=4 15514 B12R0.134 CCCCC(C)OC(C)C(=O)OC 34a_100000687866_100000211248 [0,2,0,0,0,0|1,0,0]=3 15515 B12R0.134 CCCCC(C)OC(C)C(=O)OC 34a_100011215400_200011215066 [0,2,0,0,0,0|1,0,0]=3 15516 B12R0.134 CCCCC(C)OC(C)C(=O)OC 7a_100000687866_100000211248 [0,2,0,0,0,0|1,0,0]=3 15517 B12R0.134 CCCCC(C)OC(F)C(=O)NC 34a_100000687866_100009813575 [0,2,0,0,0,0|2,0,0]=4 15518 B12R0.134 CCCCC(C)OC(F)C(=O)NC 7a_100000687866_100009813575 [0,2,0,0,0,0|2,0,0]=4 15519 B12R0.134 CCCCC(C)SC(C)C(=O)CC 62a_100000742827_200011215066 [0,2,0,0,0,0|2,0,0]=4 15520 B12R0.134 CCCCC(C)SC(C)C(=O)CC 62a_200011215066_100000742827 [0,2,0,0,0,0|2,0,0]=4 15521 B12R0.134 CCCCC(C)SC(C)C(=O)NC 62a_100000209862_200011215066 [0,2,0,0,0,0|2,0,0]=4 15522 B12R0.134 CCCCC(C)SC(C)C(=O)NC 62a_200011215066_100000731044 [0,2,0,0,0,0|2,0,0]=4 15523 B12R0.134 CCCCC(C)SC(C)C(=O)OC 62a_100000211248_200011215066 [0,2,0,0,0,0|1,0,0]=3 15524 B12R0.134 CCCCC(C)SC(C)C(=O)OC 62a_200011215066_100000211248 [0,2,0,0,0,0|1,0,0]=3 15525 B12R0.134 CCCCC(C)SC(F)C(=O)NC 62a_100009813575_200011215066 [0,2,0,0,0,0|2,0,0]=4 15526 B12R0.134 CCCCC(C)SC(F)C(=O)NC 62a_200011215066_100009813575 [0,2,0,0,0,0|2,0,0]=4 15527 B12R0.134 CCCCN(C)CC(C)C(=O)OC 269982a_100000207549_100000698445 [0,2,0,0,0,0|1,0,0]=3 15528 B12R0.134 CCOCC(C)OC(C)C(=O)OC 34a_100000718985_100000211248 [0,2,0,0,0,0|2,0,0]=4 15529 B12R0.134 CCOCC(C)OC(C)C(=O)OC 7a_100000718985_100000211248 [0,2,0,0,0,0|2,0,0]=4 15530 B12R0.134 COC(=O)C(C)CN(C)CCCO 269982a_100000213112_100000698445 [0,2,0,0,0,0|2,0,0]=4 15531 B12R0.134 COC(=O)C(C)CN(C)CCSC 269982a_100000686725_100000698445 [0,2,0,0,0,0|2,0,0]=4 15532 B12R0.134 COC(=O)C(C)OC(C)CCCCl 34a_200000718107_100000211248 [0,2,0,0,0,0|2,0,0]=4 15533 B12R0.134 COC(=O)C(C)OC(C)CCCCl 7a_200000718107_100000211248 [0,2,0,0,0,0|2,0,0]=4 15534 B12R0.134 COCCN(C)CC(C)C(=O)OC 269982a_100000743101_100000698445 [0,2,0,0,0,0|2,0,0]=4 15535 B12R0.147 CCC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000747405 [0,2,0,0,0,0|0,0,2]=4 15536 B12R0.147 CCC(=O)CC(=O)CCC(=O)OC 1458a_100000210414_100000691467 [0,2,0,0,0,0|0,0,2]=4 15537 B12R0.147 CCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747405 [0,2,0,0,0,0|1,0,1]=4 15538 B12R0.147 CCC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000747405 [0,2,0,0,0,0|1,0,1]=4 15539 B12R0.147 CCC(=O)COC(C)CC(=O)OC 34a_100000725409_100009817358 [0,2,0,0,0,0|1,0,1]=4 15540 B12R0.147 CCC(=O)CSC(C)CC(=O)OC 62a_100000747405_100009817358 [0,2,0,0,0,0|1,0,1]=4 15541 B12R0.147 CCC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000747405 [0,2,0,0,0,0|1,0,1]=4 15542 B12R0.147 CCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000210414 [0,2,0,0,0,0|1,0,1]=4 15543 B12R0.147 CCC(C)CC(=O)CCC(=O)NC 1458a_100011309844_100000748023 [0,2,0,0,0,0|1,0,1]=4 15544 B12R0.147 CCC(C)CC(=O)CCC(=O)OC 1458a_100000187943_100000748023 [0,2,0,0,0,0|0,0,1]=3 15545 B12R0.147 CCC(C)CC(=O)CNC(=O)OC 1458a_100000215747_100000748023 [0,2,0,0,0,0|1,0,1]=4 15546 B12R0.147 CCC(C)CC(=O)NCC(=O)OC 188690a_100000185156_100000708755 [0,2,0,0,0,0|1,0,1]=4 15547 B12R0.147 CCC(C)CC(C)NCC(=O)NC 2230a_100000763565_100000183359 [0,2,0,0,0,0|2,0,0]=4 15548 B12R0.147 CCC(C)CC(C)NCC(=O)NC 270004a_100000693194_100011710205 [0,2,0,0,0,0|2,0,0]=4 15549 B12R0.147 CCC(C)CC(C)NCC(=O)OC 2230a_100000763565_100000747449 [0,2,0,0,0,0|1,0,0]=3 15550 B12R0.147 CCC(C)CCC(=O)CC(=O)NC 1458a_100000701222_100000183359 [0,2,0,0,0,0|1,0,1]=4 15551 B12R0.147 CCC(C)CCC(=O)CC(=O)OC 1458a_100000701222_100000747449 [0,2,0,0,0,0|0,0,1]=3 15552 B12R0.147 CCC(C)CN(C)CCC(=O)NC 2230a_100000750875_100000748023 [0,2,0,0,0,0|2,0,0]=4 15553 B12R0.147 CCC(C)CN(C)CCC(=O)NC 2230a_100000753921_100000737683 [0,2,0,0,0,0|2,0,0]=4 15554 B12R0.147 CCC(C)CN(C)CCC(=O)NC 269982a_100000750875_100000748023 [0,2,0,0,0,0|2,0,0]=4 15555 B12R0.147 CCC(C)CN(C)CCC(=O)NC 269982a_100000753921_100000737683 [0,2,0,0,0,0|2,0,0]=4 15556 B12R0.147 CCC(C)CN(C)CCC(=O)NC 270004a_100000750875_100000243153 [0,2,0,0,0,0|2,0,0]=4 15557 B12R0.147 CCC(C)CN(C)CCC(=O)OC 2230a_100000753921_100000204255 [0,2,0,0,0,0|1,0,0]=3 15558 B12R0.147 CCC(C)CN(C)CCC(=O)OC 269982a_100000753921_100000204255 [0,2,0,0,0,0|1,0,0]=3 15559 B12R0.147 CCC(C)CN(C)CCC(=O)OC 269982a_100025711912_100000748023 [0,2,0,0,0,0|1,0,0]=3 15560 B12R0.147 CCC(C)CNC(=O)CC(=O)OC 240690a_100020588543_100000211351 [0,2,0,0,0,0|1,0,1]=4 15561 B12R0.147 CCC(C)CNC(C)CC(=O)OC 2230a_100020588543_100009817358 [0,2,0,0,0,0|1,0,0]=3 15562 B12R0.147 CCC(C)CSC(C)CC(=O)OC 62a_100000748023_100009817358 [0,2,0,0,0,0|1,0,0]=3 15563 B12R0.147 CCC(C)CSC(C)CC(=O)OC 62a_100009817358_100000748023 [0,2,0,0,0,0|1,0,0]=3 15564 B12R0.147 CCC(C)NC(=O)CCC(=O)OC 11a_100000209981_100000187943 [0,2,0,0,0,0|1,0,1]=4 15565 B12R0.147 CCC(C)NC(=O)CCC(=O)OC 1626a_100000209981_100000187943 [0,2,0,0,0,0|1,0,1]=4 15566 B12R0.147 CCC(C)NC(=O)CCC(=O)OC 240690a_100000209981_100000187943 [0,2,0,0,0,0|1,0,1]=4 15567 B12R0.147 CCC(C)NC(=O)CCC(=O)OC 527a_100000209981_100000187943 [0,2,0,0,0,0|1,0,1]=4 15568 B12R0.147 CCC(C)OC[C@H](O)CC(=O)OC 7a_100000210228_100000754131 [0,2,0,0,0,0|1,0,0]=3 15569 B12R0.147 CCC(C)SCC(=O)CC(=O)OC 62a_100000210525_100000758301 [0,2,0,0,0,0|1,0,1]=4 15570 B12R0.147 CCC(C)SCC(=O)CC(=O)OC 62a_100000758301_100000210525 [0,2,0,0,0,0|1,0,1]=4 15571 B12R0.147 CCC(C)SC[C@H](O)CC(=O)OC 62a_100000754131_100000758301 [0,2,0,0,0,0|1,0,0]=3 15572 B12R0.147 CCC(C)SC[C@H](O)CC(=O)OC 62a_100000758301_100000754131 [0,2,0,0,0,0|1,0,0]=3 15573 B12R0.147 CCC(O)CC(=O)CCC(=O)NC 1458a_100011309844_100011218378 [0,2,0,0,0,0|1,0,1]=4 15574 B12R0.147 CCC(O)CC(=O)CCC(=O)OC 1458a_100000187943_100011218378 [0,2,0,0,0,0|0,0,1]=3 15575 B12R0.147 CCC(O)CC(=O)CNC(=O)OC 1458a_100000215747_100011218378 [0,2,0,0,0,0|1,0,1]=4 15576 B12R0.147 CCC(O)CC(=O)NCC(=O)OC 188690a_100000185156_100011667805 [0,2,0,0,0,0|1,0,1]=4 15577 B12R0.147 CCC(O)CN(C)CCC(=O)NC 2230a_100000750875_100011218378 [0,2,0,0,0,0|2,0,0]=4 15578 B12R0.147 CCC(O)CN(C)CCC(=O)NC 269982a_100000750875_100011218378 [0,2,0,0,0,0|2,0,0]=4 15579 B12R0.147 CCC(O)CN(C)CCC(=O)OC 269982a_100025711912_100011218378 [0,2,0,0,0,0|1,0,0]=3 15580 B12R0.147 CCC(O)CNC(=O)CC(=O)OC 240690a_100011218483_100000211351 [0,2,0,0,0,0|1,0,1]=4 15581 B12R0.147 CCC(O)CNC(C)CC(=O)OC 2230a_100011218483_100009817358 [0,2,0,0,0,0|1,0,0]=3 15582 B12R0.147 CCC(O)CSC(C)CC(=O)OC 62a_100009817358_100011218378 [0,2,0,0,0,0|1,0,0]=3 15583 B12R0.147 CCC(O)CSC(C)CC(=O)OC 62a_100011218378_100009817358 [0,2,0,0,0,0|1,0,0]=3 15584 B12R0.147 CCN(C)CC(=O)CCC(=O)OC 2230a_100000225621_100000691467 [0,2,0,0,0,0|1,0,1]=4 15585 B12R0.147 CCN(C)CC(=O)CCC(=O)OC 269982a_100000225621_100000691467 [0,2,0,0,0,0|1,0,1]=4 15586 B12R0.147 CCN(C)CCC(=O)CC(=O)OC 1458a_100000755305_100000747449 [0,2,0,0,0,0|1,0,1]=4 15587 B12R0.147 CCS(=O)CCC(=O)CC(=O)OC 1458a_100011387550_100000747449 [0,2,0,0,0,0|1,0,1]=4 15588 B12R0.147 CC[C@H](C)CC(=O)CCC(=O)NC 1458a_100011309844_100009816398 [0,2,0,0,0,0|1,0,1]=4 15589 B12R0.147 CC[C@H](C)CC(=O)CCC(=O)OC 1458a_100000187943_100009816398 [0,2,0,0,0,0|0,0,1]=3 15590 B12R0.147 CC[C@H](C)CC(=O)CNC(=O)OC 1458a_100000215747_100009816398 [0,2,0,0,0,0|1,0,1]=4 15591 B12R0.147 CC[C@H](C)CN(C)CCC(=O)NC 2230a_100000750875_100009816398 [0,2,0,0,0,0|2,0,0]=4 15592 B12R0.147 CC[C@H](C)CN(C)CCC(=O)NC 269982a_100000750875_100009816398 [0,2,0,0,0,0|2,0,0]=4 15593 B12R0.147 CC[C@H](C)CN(C)CCC(=O)OC 269982a_100025711912_100009816398 [0,2,0,0,0,0|1,0,0]=3 15594 B12R0.147 CC[C@H](C)COC(C)CC(=O)OC 7a_100009816381_100009817358 [0,2,0,0,0,0|1,0,0]=3 15595 B12R0.147 CC[C@H](C)CSC(C)CC(=O)OC 62a_100009816398_100009817358 [0,2,0,0,0,0|1,0,0]=3 15596 B12R0.147 CC[C@H](C)CSC(C)CC(=O)OC 62a_100009817358_100009816398 [0,2,0,0,0,0|1,0,0]=3 15597 B12R0.147 COC(=O)CC(C)NCC(C)CO 34a_100000744482_100009817358 [0,2,0,0,0,0|2,0,0]=4 15598 B12R0.147 COC(=O)CC(C)NC[C@@H](C)OC 2230a_100020591295_100009817358 [0,2,0,0,0,0|2,0,0]=4 15599 B12R0.147 COC(=O)CC(C)NC[C@@H](F)CO 34a_100015665980_100009817358 [0,2,0,0,0,0|2,0,0]=4 15600 B12R0.147 COC(=O)CC(C)NC[C@H](O)CO 2230a_100020644852_100009817358 [0,2,0,0,0,0|2,0,0]=4 15601 B12R0.147 COC(=O)CC(C)OCC(C)CN 34a_100000744482_100009817358 [0,2,0,0,0,0|2,0,0]=4 15602 B12R0.147 COC(=O)CC(C)OCC(C)OC 34a_100000690652_100009817358 [0,2,0,0,0,0|2,0,0]=4 15603 B12R0.147 COC(=O)CC(C)OCC(Cl)CCl 34a_100000033668_100009817358 [0,2,0,0,0,0|2,0,0]=4 15604 B12R0.147 COC(=O)CC(C)OC[C@H](F)CN 34a_100015665980_100009817358 [0,2,0,0,0,0|2,0,0]=4 15605 B12R0.147 COC(=O)CC(C)SCC(O)CO 62a_100009817358_100011219619 [0,2,0,0,0,0|2,0,0]=4 15606 B12R0.147 COC(=O)CC(C)SCC(O)CO 62a_100011219619_100009817358 [0,2,0,0,0,0|2,0,0]=4 15607 B12R0.147 COC(=O)CC(C)SC[C@@H](C)CO 62a_100000059175_100009817358 [0,2,0,0,0,0|2,0,0]=4 15608 B12R0.147 COC(=O)CC(C)SC[C@@H](C)CO 62a_100009817358_100000059175 [0,2,0,0,0,0|2,0,0]=4 15609 B12R0.147 COC(=O)CC(C)SC[C@@H](O)CF 62a_100009817358_100015614560 [0,2,0,0,0,0|2,0,0]=4 15610 B12R0.147 COC(=O)CC(C)SC[C@@H](O)CF 62a_100015614560_100009817358 [0,2,0,0,0,0|2,0,0]=4 15611 B12R0.147 COC(=O)CC(C)SC[C@@H](O)CO 62a_100009815848_100009817358 [0,2,0,0,0,0|2,0,0]=4 15612 B12R0.147 COC(=O)CC(C)SC[C@@H](O)CO 62a_100009817358_100009815848 [0,2,0,0,0,0|2,0,0]=4 15613 B12R0.147 COC(=O)CCC(=O)C[C@@H](C)CO 1458a_100000187943_100000059175 [0,2,0,0,0,0|1,0,1]=4 15614 B12R0.147 COC(=O)CCN(C)CC(O)CO 2230a_100011216503_100000204255 [0,2,0,0,0,0|2,0,0]=4 15615 B12R0.147 COC(=O)CCN(C)CC(O)CO 269982a_100011216503_100000204255 [0,2,0,0,0,0|2,0,0]=4 15616 B12R0.147 COC(=O)CCN(C)C[C@@H](C)CO 269982a_100025711912_100000059175 [0,2,0,0,0,0|2,0,0]=4 15617 B12R0.147 COC(=O)C[C@@H](O)COC(C)CF 34a_100016041109_100000754131 [0,2,0,0,0,0|2,0,0]=4 15618 B12R0.147 COC(=O)C[C@@H](O)COC(C)CF 7a_100016041109_100000754131 [0,2,0,0,0,0|2,0,0]=4 15619 B12R0.147 COC(=O)C[C@@H](O)COC(C)CN 34a_100000210904_100000754131 [0,2,0,0,0,0|2,0,0]=4 15620 B12R0.147 COC(=O)C[C@@H](O)CSC(C)CO 62a_100012180447_100000754131 [0,2,0,0,0,0|2,0,0]=4 15621 B12R0.147 COC(=O)C[C@@H](O)CSC(C)OC 62a_100000754131_100009879195 [0,2,0,0,0,0|2,0,0]=4 15622 B12R0.147 COC(=O)C[C@@H](O)CSC(C)OC 62a_100009879195_100000754131 [0,2,0,0,0,0|2,0,0]=4 15623 B12R0.147 COC(=O)C[C@@H](O)CS[C@H](C)CO 62a_100000754131_100016084084 [0,2,0,0,0,0|2,0,0]=4 15624 B12R0.147 COC(=O)C[C@@H](O)CS[C@H](C)CO 62a_100016084084_100000754131 [0,2,0,0,0,0|2,0,0]=4 15625 B12R0.189 C=C(C)CCC(=O)CCC(=O)OC 1458a_100000187943_100000730704 [0,2,0,0,0,0|0,0,2]=4 15626 B12R0.189 C=C(C)CCN(C)CCC(=O)OC 269982a_100025711912_100000730704 [0,2,0,0,0,0|1,0,1]=4 15627 B12R0.189 CCC(=O)COC(C)CCC(C)C 34a_100000725409_100011261404 [0,2,0,0,0,0|2,0,0]=4 15628 B12R0.189 CCC(=O)COC(C)CCC(C)C 7a_100011215350_100000747405 [0,2,0,0,0,0|2,0,0]=4 15629 B12R0.189 CCC(=O)CSC(C)CCC(C)C 62a_100000747405_100011261404 [0,2,0,0,0,0|2,0,0]=4 15630 B12R0.189 CCC(=O)CSC(C)CCC(C)C 62a_100011261404_100000747405 [0,2,0,0,0,0|2,0,0]=4 15631 B12R0.189 CNC(=O)CCC(=O)CCC(C)C 1458a_100011309844_100000210312 [0,2,0,0,0,0|1,0,1]=4 15632 B12R0.189 CNC(=O)CCC(=O)CCC(C)O 1458a_100011309844_100012276601 [0,2,0,0,0,0|1,0,1]=4 15633 B12R0.189 CNC(=O)CCN(C)CCC(C)C 2230a_100000742789_100000737683 [0,2,0,0,0,0|2,0,0]=4 15634 B12R0.189 CNC(=O)CCN(C)CCC(C)C 2230a_100000750875_100000210312 [0,2,0,0,0,0|2,0,0]=4 15635 B12R0.189 CNC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000737683 [0,2,0,0,0,0|2,0,0]=4 15636 B12R0.189 CNC(=O)CCN(C)CCC(C)C 269982a_100000750875_100000210312 [0,2,0,0,0,0|2,0,0]=4 15637 B12R0.189 CNC(=O)CCN(C)CCC(C)O 2230a_100000750875_100012276601 [0,2,0,0,0,0|2,0,0]=4 15638 B12R0.189 CNC(=O)CCN(C)CCC(C)O 269982a_100000750875_100012276601 [0,2,0,0,0,0|2,0,0]=4 15639 B12R0.189 CNC(=O)CNC(C)CCC(C)C 2230a_100000693194_100011261404 [0,2,0,0,0,0|2,0,0]=4 15640 B12R0.189 CNC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000183359 [0,2,0,0,0,0|2,0,0]=4 15641 B12R0.189 CNC(=O)CNC(C)CCC(C)C 270004a_100000693194_100000210476 [0,2,0,0,0,0|2,0,0]=4 15642 B12R0.189 CNC(=O)COC(C)CCC(C)C 34a_100000750040_100011261404 [0,2,0,0,0,0|2,0,0]=4 15643 B12R0.189 CNC(=O)COC(C)CCC(C)C 34a_100011215350_100000183359 [0,2,0,0,0,0|2,0,0]=4 15644 B12R0.189 CNC(=O)COC(C)CCC(C)C 7a_100011215350_100000183359 [0,2,0,0,0,0|2,0,0]=4 15645 B12R0.189 CNC(=O)CSC(C)CCC(C)C 62a_100000183359_100011261404 [0,2,0,0,0,0|2,0,0]=4 15646 B12R0.189 CNC(=O)CSC(C)CCC(C)C 62a_100011261404_100000183359 [0,2,0,0,0,0|2,0,0]=4 15647 B12R0.189 COC(=O)CCC(=O)CCC(C)C 1458a_100000187943_100000210312 [0,2,0,0,0,0|0,0,1]=3 15648 B12R0.189 COC(=O)CCC(=O)CCC(C)O 1458a_100000187943_100012276601 [0,2,0,0,0,0|0,0,1]=3 15649 B12R0.189 COC(=O)CCC(=O)CNC(C)C 2230a_100138425928_100000691467 [0,2,0,0,0,0|1,0,1]=4 15650 B12R0.189 COC(=O)CCC(=O)CNC(C)C 34a_100138425928_100000691467 [0,2,0,0,0,0|1,0,1]=4 15651 B12R0.189 COC(=O)CCC(=O)COC(C)C 34a_100000212225_100000691467 [0,2,0,0,0,0|1,0,1]=4 15652 B12R0.189 COC(=O)CCC(=O)CSC(C)C 62a_100000210206_100000691467 [0,2,0,0,0,0|1,0,1]=4 15653 B12R0.189 COC(=O)CCC(=O)CSC(C)C 62a_100000691467_100000210206 [0,2,0,0,0,0|1,0,1]=4 15654 B12R0.189 COC(=O)CCC(=O)NCC(C)C 11a_100000210953_100000187943 [0,2,0,0,0,0|1,0,1]=4 15655 B12R0.189 COC(=O)CCC(=O)NCC(C)C 1626a_100000210953_100000187943 [0,2,0,0,0,0|1,0,1]=4 15656 B12R0.189 COC(=O)CCC(=O)NCC(C)C 240690a_100000210953_100000187943 [0,2,0,0,0,0|1,0,1]=4 15657 B12R0.189 COC(=O)CCC(=O)NCC(C)C 527a_100000210953_100000187943 [0,2,0,0,0,0|1,0,1]=4 15658 B12R0.189 COC(=O)CCC(=O)NCC(C)O 11a_100000210904_100000187943 [0,2,0,0,0,0|1,0,1]=4 15659 B12R0.189 COC(=O)CCC(=O)NCC(C)O 240690a_100000210904_100000187943 [0,2,0,0,0,0|1,0,1]=4 15660 B12R0.189 COC(=O)CCC(=O)NCC(C)O 527a_100000210904_100000187943 [0,2,0,0,0,0|1,0,1]=4 15661 B12R0.189 COC(=O)CCN(C)CCC(=O)C 269982a_100025711912_100000053229 [0,2,0,0,0,0|1,0,1]=4 15662 B12R0.189 COC(=O)CCN(C)CCC(C)C 2230a_100000742789_100000204255 [0,2,0,0,0,0|1,0,0]=3 15663 B12R0.189 COC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000204255 [0,2,0,0,0,0|1,0,0]=3 15664 B12R0.189 COC(=O)CCN(C)CCC(C)C 269982a_100025711912_100000210312 [0,2,0,0,0,0|1,0,0]=3 15665 B12R0.189 COC(=O)CCN(C)CCC(C)O 269982a_100025711912_100012276601 [0,2,0,0,0,0|1,0,0]=3 15666 B12R0.189 COC(=O)CCN(C)CCN(C)C 269982a_100000225618_100000204255 [0,2,0,0,0,0|2,0,0]=4 15667 B12R0.189 COC(=O)CCN(C)CCN(C)C 269982a_100025711912_100000755713 [0,2,0,0,0,0|2,0,0]=4 15668 B12R0.189 COC(=O)CCN(C)COC(C)C 269982a_100025711912_100000709892 [0,2,0,0,0,0|2,0,0]=4 15669 B12R0.189 COC(=O)CNC(=O)CCC(C)C 188690a_100000185156_100000181311 [0,2,0,0,0,0|1,0,1]=4 15670 B12R0.189 COC(=O)CNC(=O)CCC(C)O 188690a_100000185156_100000718519 [0,2,0,0,0,0|1,0,1]=4 15671 B12R0.189 COC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000747449 [0,2,0,0,0,0|1,0,0]=3 15672 B12R0.189 COC(=O)COC(C)CCC(C)C 34a_100011215350_100000747449 [0,2,0,0,0,0|1,0,0]=3 15673 B12R0.189 COC(=O)COC(C)CCC(C)C 7a_100011215350_100000747449 [0,2,0,0,0,0|1,0,0]=3 15674 B12R0.189 COC(=O)CSC(C)CCC(C)C 62a_100000747449_100011261404 [0,2,0,0,0,0|1,0,0]=3 15675 B12R0.189 COC(=O)CSC(C)CCC(C)C 62a_100011261404_100000747449 [0,2,0,0,0,0|1,0,0]=3 15676 B12R0.189 COC(=O)NCC(=O)CCC(C)C 1458a_100000215747_100000210312 [0,2,0,0,0,0|1,0,1]=4 15677 B12R0.189 COC(=O)NCC(=O)CCC(C)O 1458a_100000215747_100012276601 [0,2,0,0,0,0|1,0,1]=4 15678 B12R0.193 CCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000211992 [0,2,0,0,0,0|1,0,1]=4 15679 B12R0.193 CCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000211992 [0,2,0,0,0,0|1,0,1]=4 15680 B12R0.193 CCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000211992 [0,2,0,0,0,0|1,0,1]=4 15681 B12R0.193 CCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000211992 [0,2,0,0,0,0|1,0,1]=4 15682 B12R0.193 CCCC(C)C(=O)CCC(=O)NC 1458a_100011309844_100000766640 [0,2,0,0,0,0|1,0,1]=4 15683 B12R0.193 CCCC(C)C(=O)CCC(=O)OC 1458a_100000187943_100000766640 [0,2,0,0,0,0|0,0,1]=3 15684 B12R0.193 CCCC(C)C(=O)CNC(=O)OC 1458a_100000215747_100000766640 [0,2,0,0,0,0|1,0,1]=4 15685 B12R0.193 CCCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000210906 [0,2,0,0,0,0|1,0,1]=4 15686 B12R0.193 CCCC(C)C(C)NCC(=O)NC 270004a_100000693194_100011216282 [0,2,0,0,0,0|2,0,0]=4 15687 B12R0.193 CCCC(C)C(C)OCC(=O)CC 7a_100000708338_100000747405 [0,2,0,0,0,0|2,0,0]=4 15688 B12R0.193 CCCC(C)C(C)OCC(=O)NC 34a_100000708338_100000183359 [0,2,0,0,0,0|2,0,0]=4 15689 B12R0.193 CCCC(C)C(C)OCC(=O)NC 7a_100000708338_100000183359 [0,2,0,0,0,0|2,0,0]=4 15690 B12R0.193 CCCC(C)C(C)OCC(=O)OC 34a_100000708338_100000747449 [0,2,0,0,0,0|1,0,0]=3 15691 B12R0.193 CCCC(C)C(C)OCC(=O)OC 7a_100000708338_100000747449 [0,2,0,0,0,0|1,0,0]=3 15692 B12R0.193 CCCC(C)N(C)CCC(=O)NC 2230a_100000750875_100000766640 [0,2,0,0,0,0|2,0,0]=4 15693 B12R0.193 CCCC(C)N(C)CCC(=O)NC 269982a_100000750875_100000766640 [0,2,0,0,0,0|2,0,0]=4 15694 B12R0.193 CCCC(C)N(C)CCC(=O)NC 270004a_100000750875_100000211909 [0,2,0,0,0,0|2,0,0]=4 15695 B12R0.193 CCCC(C)N(C)CCC(=O)OC 269982a_100025711912_100000766640 [0,2,0,0,0,0|1,0,0]=3 15696 B12R0.193 CCCN(C)C(=O)CCC(=O)OC 11a_100000747261_100000187943 [0,2,0,0,0,0|1,0,1]=4 15697 B12R0.193 CCCN(C)C(=O)CCC(=O)OC 1626a_100000747261_100000187943 [0,2,0,0,0,0|1,0,1]=4 15698 B12R0.193 CCCN(C)C(=O)CCC(=O)OC 240690a_100000747261_100000187943 [0,2,0,0,0,0|1,0,1]=4 15699 B12R0.193 CCCN(C)C(=O)CCC(=O)OC 527a_100000747261_100000187943 [0,2,0,0,0,0|1,0,1]=4 15700 B12R0.193 CCC[C@H](O)C(=O)NCC(=O)OC 188690a_100000185156_100009822183 [0,2,0,0,0,0|1,0,1]=4 15701 B12R0.193 COC(=O)CCC(=O)C(C)CCO 1458a_100000187943_100009893172 [0,2,0,0,0,0|1,0,1]=4 15702 B12R0.193 COC(=O)CCN(C)C(C)CCO 2230a_100000731037_100000204255 [0,2,0,0,0,0|2,0,0]=4 15703 B12R0.193 COC(=O)CCN(C)C(C)CCO 269982a_100000731037_100000204255 [0,2,0,0,0,0|2,0,0]=4 15704 B12R0.193 COC(=O)CCN(C)C(C)CCO 269982a_100025711912_100009893172 [0,2,0,0,0,0|2,0,0]=4 15705 B12R0.193 COCC(C)C(=O)CCC(=O)OC 1458a_100000187943_100000765312 [0,2,0,0,0,0|1,0,1]=4 15706 B12R0.193 COCC(C)N(C)CCC(=O)OC 269982a_100025711912_100000765312 [0,2,0,0,0,0|2,0,0]=4 15707 B12R0.216 C#CC(CCCC)OCC(=O)CC 7a_200011217967_100000747405 [0,2,0,0,0,0|2,0,0]=4 15708 B12R0.216 C#CC(CCCC)OCC(=O)NC 34a_200011217967_100000183359 [0,2,0,0,0,0|2,0,0]=4 15709 B12R0.216 C#CC(CCCC)OCC(=O)NC 7a_200011217967_100000183359 [0,2,0,0,0,0|2,0,0]=4 15710 B12R0.216 C#CC(CCCC)OCC(=O)OC 34a_200011217967_100000747449 [0,2,0,0,0,0|1,0,0]=3 15711 B12R0.216 C#CC(CCCC)OCC(=O)OC 7a_200011217967_100000747449 [0,2,0,0,0,0|1,0,0]=3 15712 B12R0.216 C=CC(CCCC)OCC(=O)CC 7a_200011215037_100000747405 [0,2,0,0,0,0|2,0,0]=4 15713 B12R0.216 C=CC(CCCC)OCC(=O)NC 34a_200011215037_100000183359 [0,2,0,0,0,0|2,0,0]=4 15714 B12R0.216 C=CC(CCCC)OCC(=O)NC 7a_200011215037_100000183359 [0,2,0,0,0,0|2,0,0]=4 15715 B12R0.216 C=CC(CCCC)OCC(=O)OC 34a_200011215037_100000747449 [0,2,0,0,0,0|1,0,0]=3 15716 B12R0.216 C=CC(CCCC)OCC(=O)OC 7a_200011215037_100000747449 [0,2,0,0,0,0|1,0,0]=3 15717 B12R0.216 CCCCC(CC)CCC(=O)CC 1458a_100011216959_100000210202 [0,2,0,0,0,0|1,0,0]=3 15718 B12R0.216 CCCCC(CC)CCC(=O)CF 1458a_100011216959_100015361967 [0,2,0,0,0,0|2,0,0]=4 15719 B12R0.216 CCCCC(CC)CCC(=O)NC 11a_106832991635_100011216959 [0,2,0,0,0,0|1,0,0]=3 15720 B12R0.216 CCCCC(CC)CCC(=O)NC 1626a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 15721 B12R0.216 CCCCC(CC)CCC(=O)NC 240690a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 15722 B12R0.216 CCCCC(CC)CCC(=O)NC 527a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 15723 B12R0.216 CCCCC(CC)CNC(=O)CC 11a_100000209976_100000210414 [0,2,0,0,0,0|2,0,0]=4 15724 B12R0.216 CCCCC(CC)CNC(=O)CC 1626a_100000209976_100000210414 [0,2,0,0,0,0|2,0,0]=4 15725 B12R0.216 CCCCC(CC)CNC(=O)CC 240690a_100000209976_100000210414 [0,2,0,0,0,0|2,0,0]=4 15726 B12R0.216 CCCCC(CC)CNC(=O)CC 527a_100000209976_100000210414 [0,2,0,0,0,0|2,0,0]=4 15727 B12R0.216 CCCCC(CC)CNC(=O)NC 2708a_100000209976_106832991635 [0,2,0,0,0,0|2,0,0]=4 15728 B12R0.216 CCCCC(CC)CNC(=O)NC 2708a_100102657272_100000209976 [0,2,0,0,0,0|2,0,0]=4 15729 B12R0.216 CCCCC(CC)CNC(=O)NC 273464a_100000209976_100102657272 [0,2,0,0,0,0|2,0,0]=4 15730 B12R0.216 CCCCC(CC)CNC(=O)NC 273464a_100102657272_100000209976 [0,2,0,0,0,0|2,0,0]=4 15731 B12R0.216 CCCCC(CC)CNC(=O)NC 512a_100000209976_100102657272 [0,2,0,0,0,0|2,0,0]=4 15732 B12R0.216 CCCCC(CC)CNC(=O)NC 512a_106832991638_100000209976 [0,2,0,0,0,0|2,0,0]=4 15733 B12R0.216 CCCCC(CC)NCC(=O)NC 270004a_100000693194_100000753412 [0,2,0,0,0,0|2,0,0]=4 15734 B12R0.216 CCCCC(CC)OCC(=O)CC 34a_100000725409_200011216223 [0,2,0,0,0,0|2,0,0]=4 15735 B12R0.216 CCCCC(CC)OCC(=O)CC 7a_100011215227_100000747405 [0,2,0,0,0,0|2,0,0]=4 15736 B12R0.216 CCCCC(CC)OCC(=O)NC 34a_100000750040_200011216223 [0,2,0,0,0,0|2,0,0]=4 15737 B12R0.216 CCCCC(CC)OCC(=O)NC 34a_100011215227_100000183359 [0,2,0,0,0,0|2,0,0]=4 15738 B12R0.216 CCCCC(CC)OCC(=O)NC 7a_100011215227_100000183359 [0,2,0,0,0,0|2,0,0]=4 15739 B12R0.216 CCCCC(CC)OCC(=O)OC 34a_100011215227_100000747449 [0,2,0,0,0,0|1,0,0]=3 15740 B12R0.216 CCCCC(CC)OCC(=O)OC 7a_100011215227_100000747449 [0,2,0,0,0,0|1,0,0]=3 15741 B12R0.216 CCCCC(CC)SCC(=O)CC 62a_100000747405_200011216223 [0,2,0,0,0,0|2,0,0]=4 15742 B12R0.216 CCCCC(CC)SCC(=O)CC 62a_200011216223_100000747405 [0,2,0,0,0,0|2,0,0]=4 15743 B12R0.216 CCCCC(CC)SCC(=O)NC 62a_100000183359_200011216223 [0,2,0,0,0,0|2,0,0]=4 15744 B12R0.216 CCCCC(CC)SCC(=O)NC 62a_200011216223_100000183359 [0,2,0,0,0,0|2,0,0]=4 15745 B12R0.216 CCCCC(CC)SCC(=O)OC 62a_100000747449_200011216223 [0,2,0,0,0,0|1,0,0]=3 15746 B12R0.216 CCCCC(CC)SCC(=O)OC 62a_200011216223_100000747449 [0,2,0,0,0,0|1,0,0]=3 15747 B12R0.216 CCCCN(CC)CCC(=O)NC 2230a_100000207695_100000737683 [0,2,0,0,0,0|2,0,0]=4 15748 B12R0.216 CCCCN(CC)CCC(=O)NC 269982a_100000207695_100000737683 [0,2,0,0,0,0|2,0,0]=4 15749 B12R0.216 CCCCN(CC)CCC(=O)OC 2230a_100000207695_100000204255 [0,2,0,0,0,0|1,0,0]=3 15750 B12R0.216 CCCCN(CC)CCC(=O)OC 2230a_100000229097_100000210211 [0,2,0,0,0,0|1,0,0]=3 15751 B12R0.216 CCCCN(CC)CCC(=O)OC 269982a_100000207695_100000204255 [0,2,0,0,0,0|1,0,0]=3 15752 B12R0.216 CCCCN(CC)CCC(=O)OC 269982a_100000229097_100000210211 [0,2,0,0,0,0|1,0,0]=3 15753 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC 2230a_100011934283_100000183359 [0,2,0,0,0,0|2,0,0]=4 15754 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|2,0,0]=4 15755 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC 2230a_100011934283_100000747449 [0,2,0,0,0,0|1,0,0]=3 15756 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|1,0,0]=3 15757 B12R0.216 CCN(CCCF)CCC(=O)OC 2230a_100000229097_100011934791 [0,2,0,0,0,0|2,0,0]=4 15758 B12R0.216 CCN(CCCF)CCC(=O)OC 269982a_100000229097_100011934791 [0,2,0,0,0,0|2,0,0]=4 15759 B12R0.216 CCN(CCCO)CCC(=O)OC 2230a_100000229097_100000230001 [0,2,0,0,0,0|2,0,0]=4 15760 B12R0.216 CCN(CCCO)CCC(=O)OC 269982a_100000229097_100011215043 [0,2,0,0,0,0|2,0,0]=4 15761 B12R0.216 CCN(CCOC)CCC(=O)OC 2230a_100000229097_100011201679 [0,2,0,0,0,0|2,0,0]=4 15762 B12R0.216 CCN(CCOC)CCC(=O)OC 2230a_100000731262_100000204255 [0,2,0,0,0,0|2,0,0]=4 15763 B12R0.216 CCN(CCOC)CCC(=O)OC 269982a_100000229097_100000233755 [0,2,0,0,0,0|2,0,0]=4 15764 B12R0.216 CCN(CCOC)CCC(=O)OC 269982a_100000731262_100000204255 [0,2,0,0,0,0|2,0,0]=4 15765 B12R0.216 CCN(CCSC)CCC(=O)OC 2230a_100000229097_100000751147 [0,2,0,0,0,0|2,0,0]=4 15766 B12R0.216 CCN(CCSC)CCC(=O)OC 269982a_100000229097_100000212216 [0,2,0,0,0,0|2,0,0]=4 15767 B12R0.216 CCOCC(CN)OCC(=O)OC 34a_102515437182_100000747449 [0,2,0,0,0,0|2,0,0]=4 15768 B12R0.216 CCOCN(CC)CCC(=O)OC 269982a_100000229097_100000739092 [0,2,0,0,0,0|2,0,0]=4 15769 B12R0.216 COC(=O)CN[C@H](CO)CCSC 2230a_100011827619_100000747449 [0,2,0,0,0,0|2,0,0]=4 15770 B12R0.252 CCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210211 [0,2,0,0,0,0|0,0,1]=3 15771 B12R0.252 CCCCC(=O)N(C)CC(=O)OC 11a_100000198492_100000210183 [0,2,0,0,0,0|1,0,1]=4 15772 B12R0.252 CCCCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000210183 [0,2,0,0,0,0|1,0,1]=4 15773 B12R0.252 CCCCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000210183 [0,2,0,0,0,0|1,0,1]=4 15774 B12R0.252 CCCCC(=O)N(C)CC(=O)OC 527a_100000198492_100000210183 [0,2,0,0,0,0|1,0,1]=4 15775 B12R0.252 CCCCC(C)C(=O)CC(=O)CC 1458a_100000725509_100000747405 [0,2,0,0,0,0|1,0,1]=4 15776 B12R0.252 CCCCC(C)C(=O)CC(=O)NC 1458a_100000725509_100000183359 [0,2,0,0,0,0|1,0,1]=4 15777 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000211351_200011215066 [0,2,0,0,0,0|0,0,1]=3 15778 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000725509_100000747449 [0,2,0,0,0,0|0,0,1]=3 15779 B12R0.252 CCCCC(C)N(C)CC(=O)NC 2230a_100000189611_200011215066 [0,2,0,0,0,0|2,0,0]=4 15780 B12R0.252 CCCCC(C)N(C)CC(=O)NC 270004a_100000189611_100000210087 [0,2,0,0,0,0|2,0,0]=4 15781 B12R0.252 CCCCC(C)N(C)CC(=O)OC 2230a_100000198492_200011215066 [0,2,0,0,0,0|1,0,0]=3 15782 B12R0.252 CCCCC(C)N(C)CC(=O)OC 270004a_100000198492_100000210087 [0,2,0,0,0,0|1,0,0]=3 15783 B12R0.252 CCCCC(O)C(=O)CC(=O)CC 1458a_100000720857_100000747405 [0,2,0,0,0,0|1,0,1]=4 15784 B12R0.252 CCCCC(O)C(=O)CC(=O)NC 1458a_100000720857_100000183359 [0,2,0,0,0,0|1,0,1]=4 15785 B12R0.252 CCCCC(O)C(=O)CC(=O)OC 1458a_100000720857_100000747449 [0,2,0,0,0,0|0,0,1]=3 15786 B12R0.252 CCCCN(C)C(=O)CC(=O)OC 240690a_100000207549_100000211351 [0,2,0,0,0,0|1,0,1]=4 15787 B12R0.252 CCCCN(C)C(C)CC(=O)NC 2230a_100015186911_100000210211 [0,2,0,0,0,0|2,0,0]=4 15788 B12R0.252 CCCCN(C)C(C)CC(=O)NC 269982a_100015186911_100000210211 [0,2,0,0,0,0|2,0,0]=4 15789 B12R0.252 CCCCN(C)C(C)CC(=O)OC 2230a_100000207549_100009817358 [0,2,0,0,0,0|1,0,0]=3 15790 B12R0.252 CCCCN(C)C(C)CC(=O)OC 269982a_100000207549_100009817358 [0,2,0,0,0,0|1,0,0]=3 15791 B12R0.252 CCCNC(=O)C(C)CC(=O)OC 1626a_100020643023_100000037256 [0,2,0,0,0,0|1,0,1]=4 15792 B12R0.252 CCCNC(=O)C(C)CC(=O)OC 240690a_100020643023_100000037256 [0,2,0,0,0,0|1,0,1]=4 15793 B12R0.252 CCCNC(=O)C(C)CC(=O)OC 527a_100020643023_100000037256 [0,2,0,0,0,0|1,0,1]=4 15794 B12R0.252 CCCSC(C)C(=O)CC(=O)OC 62a_100000210303_100009997173 [0,2,0,0,0,0|1,0,1]=4 15795 B12R0.252 CCCSC(C)C(=O)CC(=O)OC 62a_100009997173_100000210303 [0,2,0,0,0,0|1,0,1]=4 15796 B12R0.252 CCSCC(C)N(C)CC(=O)OC 270004a_100000198492_200011216171 [0,2,0,0,0,0|2,0,0]=4 15797 B12R0.252 COC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000747449 [0,2,0,0,0,0|1,0,1]=4 15798 B12R0.252 COC(=O)CC(C)C(=O)CCCF 1458a_100000037256_100011934791 [0,2,0,0,0,0|1,0,1]=4 15799 B12R0.252 COC(=O)CC(C)C(=O)CCCO 1458a_100000037256_100011215043 [0,2,0,0,0,0|1,0,1]=4 15800 B12R0.252 COC(=O)CC(C)C(=O)CCSC 1458a_100000037256_100000751147 [0,2,0,0,0,0|1,0,1]=4 15801 B12R0.252 COC(=O)CC(C)N(C)CCCO 2230a_100000213112_100009817358 [0,2,0,0,0,0|2,0,0]=4 15802 B12R0.252 COC(=O)CC(C)N(C)CCCO 269982a_100000213112_100009817358 [0,2,0,0,0,0|2,0,0]=4 15803 B12R0.252 COC(=O)CC(C)N(C)CCSC 2230a_100000686725_100009817358 [0,2,0,0,0,0|2,0,0]=4 15804 B12R0.252 COC(=O)CC(C)N(C)CCSC 269982a_100000686725_100009817358 [0,2,0,0,0,0|2,0,0]=4 15805 B12R0.252 COC(=O)CN(C)C(C)CCSC 270004a_100000198492_100011217047 [0,2,0,0,0,0|2,0,0]=4 15806 B12R0.252 COCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000233755 [0,2,0,0,0,0|1,0,1]=4 15807 B12R0.252 COCCC(C)N(C)CC(=O)OC 270004a_100000198492_100000742357 [0,2,0,0,0,0|2,0,0]=4 15808 B12R0.252 COCCN(C)C(C)CC(=O)OC 2230a_100000743101_100009817358 [0,2,0,0,0,0|2,0,0]=4 15809 B12R0.252 COCCN(C)C(C)CC(=O)OC 269982a_100000743101_100009817358 [0,2,0,0,0,0|2,0,0]=4 15810 B12R0.328 CCCCC(C)(C)OCC(=O)CC 7a_100011219641_100000747405 [0,2,0,0,0,0|2,0,0]=4 15811 B12R0.328 CCCCC(C)(C)OCC(=O)NC 7a_100011219641_100000183359 [0,2,0,0,0,0|2,0,0]=4 15812 B12R0.328 CCCCC(C)(C)OCC(=O)OC 7a_100011219641_100000747449 [0,2,0,0,0,0|1,0,0]=3 15813 B12R0.328 CCCNS(=O)(=O)CCC(=O)OC 270084a_100020643023_100000205946 [0,2,0,0,0,0|2,0,0]=4 15814 B12R0.328 CCCNS(=O)(=O)CCC(=O)OC 274078a_100020643023_100000205946 [0,2,0,0,0,0|2,0,0]=4 15815 B12R0.328 COC(=O)COC(C)(C)CCCBr 7a_100009888830_100000747449 [0,2,0,0,0,0|2,0,0]=4 15816 B12R0.130 C#CC(CC)OCCCC(=O)NC 34a_100000758843_100000741757 [0,2,0,0,0,0|2,0,0]=4 15817 B12R0.130 C#CC(CC)OCCCC(=O)NC 7a_100000758843_100000741757 [0,2,0,0,0,0|2,0,0]=4 15818 B12R0.130 C#CC(CC)OCCCC(=O)OC 34a_100000758843_100000742333 [0,2,0,0,0,0|1,0,0]=3 15819 B12R0.130 C#CC(CC)OCCCC(=O)OC 7a_100000758843_100011218270 [0,2,0,0,0,0|1,0,0]=3 15820 B12R0.130 C=CC(CC)OCCCC(=O)NC 34a_100000766422_100000741757 [0,2,0,0,0,0|2,0,0]=4 15821 B12R0.130 C=CC(CC)OCCCC(=O)NC 7a_100000766422_100000741757 [0,2,0,0,0,0|2,0,0]=4 15822 B12R0.130 C=CC(CC)OCCCC(=O)OC 34a_100000766422_100000742333 [0,2,0,0,0,0|1,0,0]=3 15823 B12R0.130 C=CC(CC)OCCCC(=O)OC 7a_100000766422_100011218270 [0,2,0,0,0,0|1,0,0]=3 15824 B12R0.130 C=C[C@@H](CO)NCCCC(=O)OC 2230a_100016989147_100011218270 [0,2,0,0,0,0|2,0,0]=4 15825 B12R0.130 C=C[C@@H](CO)NCCCC(=O)OC 34a_100016989147_100000742333 [0,2,0,0,0,0|2,0,0]=4 15826 B12R0.130 CCC(CC)CNCCC(=O)NC 2230a_100000738227_100011215472 [0,2,0,0,0,0|2,0,0]=4 15827 B12R0.130 CCC(CC)CNCCC(=O)NC 2230a_100102946423_100000737683 [0,2,0,0,0,0|2,0,0]=4 15828 B12R0.130 CCC(CC)CNCCC(=O)NC 269862a_100000738227_100000211137 [0,2,0,0,0,0|2,0,0]=4 15829 B12R0.130 CCC(CC)CNCCC(=O)NC 270004a_100000738227_100000211137 [0,2,0,0,0,0|2,0,0]=4 15830 B12R0.130 CCC(CC)CNCCC(=O)NC 34a_100000738227_100011215472 [0,2,0,0,0,0|2,0,0]=4 15831 B12R0.130 CCC(CC)CNCCC(=O)OC 2230a_100102946423_100000204255 [0,2,0,0,0,0|1,0,0]=3 15832 B12R0.130 CCC(CC)COCCC(=O)NC 34a_100000754576_100011215472 [0,2,0,0,0,0|2,0,0]=4 15833 B12R0.130 CCC(CC)COCCC(=O)NC 7a_100000703878_100000737683 [0,2,0,0,0,0|2,0,0]=4 15834 B12R0.130 CCC(CC)COCCC(=O)OC 7a_100000703878_100000204255 [0,2,0,0,0,0|1,0,0]=3 15835 B12R0.130 CCC(CC)CSCCC(=O)NC 62a_100000737683_100011215472 [0,2,0,0,0,0|2,0,0]=4 15836 B12R0.130 CCC(CC)CSCCC(=O)NC 62a_100011215472_100000737683 [0,2,0,0,0,0|2,0,0]=4 15837 B12R0.130 CCC(CC)CSCCC(=O)OC 62a_100000204255_100011215472 [0,2,0,0,0,0|1,0,0]=3 15838 B12R0.130 CCC(CC)CSCCC(=O)OC 62a_100011215472_100000204255 [0,2,0,0,0,0|1,0,0]=3 15839 B12R0.130 CCC(CC)CSCOC(=O)OC 62a_100011215472_100000139417 [0,2,0,0,0,0|2,0,0]=4 15840 B12R0.130 CCC(CC)NCCCC(=O)NC 2230a_100000199018_100000741757 [0,2,0,0,0,0|2,0,0]=4 15841 B12R0.130 CCC(CC)NCCCC(=O)NC 270004a_100000740002_100000210860 [0,2,0,0,0,0|2,0,0]=4 15842 B12R0.130 CCC(CC)NCCCC(=O)OC 2230a_100000199018_100011218270 [0,2,0,0,0,0|1,0,0]=3 15843 B12R0.130 CCC(CC)OCCCC(=O)NC 7a_100000688536_100000741757 [0,2,0,0,0,0|2,0,0]=4 15844 B12R0.130 CCC(CC)OCCCC(=O)OC 7a_100000688536_100011218270 [0,2,0,0,0,0|1,0,0]=3 15845 B12R0.130 CCC(CC)SCCCC(=O)NC 62a_100000210505_100000741757 [0,2,0,0,0,0|2,0,0]=4 15846 B12R0.130 CCC(CC)SCCCC(=O)NC 62a_100000741757_100000210505 [0,2,0,0,0,0|2,0,0]=4 15847 B12R0.130 CCC(CC)SCCCC(=O)OC 62a_100000210505_100011218270 [0,2,0,0,0,0|1,0,0]=3 15848 B12R0.130 CCC(CC)SCCCC(=O)OC 62a_100011218270_100000210505 [0,2,0,0,0,0|1,0,0]=3 15849 B12R0.130 CCC(COCCC(=O)NC)OC 34a_100011934954_100012179268 [0,2,0,0,0,0|2,0,0]=4 15850 B12R0.130 CCC(COCCC(=O)NC)OC 7a_100011934954_100000737683 [0,2,0,0,0,0|2,0,0]=4 15851 B12R0.130 CCC(COCCC(=O)OC)OC 34a_100011934954_100000742370 [0,2,0,0,0,0|1,0,0]=3 15852 B12R0.130 CCC(COCCC(=O)OC)OC 7a_100011934954_100000204255 [0,2,0,0,0,0|1,0,0]=3 15853 B12R0.130 CCN(CC)CCCCC(=O)OC 2230a_100000724800_100000204269 [0,2,0,0,0,0|1,0,0]=3 15854 B12R0.130 CCN(CC)CCCCC(=O)OC 269956a_100000042499_100000204269 [0,2,0,0,0,0|1,0,0]=3 15855 B12R0.130 CCN(CC)CCCCC(=O)OC 269982a_100000724800_100000204269 [0,2,0,0,0,0|1,0,0]=3 15856 B12R0.130 CCN(CC)CCNCC(=O)OC 2230a_100015382049_100000747449 [0,2,0,0,0,0|2,0,0]=4 15857 B12R0.130 CCN(CC)CCOCC(=O)OC 2230a_100000724800_100000090808 [0,2,0,0,0,0|2,0,0]=4 15858 B12R0.130 CCN(CC)CCOCC(=O)OC 7a_100016990331_100000747449 [0,2,0,0,0,0|2,0,0]=4 15859 B12R0.130 CCN(CC)CCSCC(=O)OC 62a_100000747449_100000700428 [0,2,0,0,0,0|2,0,0]=4 15860 B12R0.130 CCN(CC)COCCC(=O)OC 7a_200015374951_100000204255 [0,2,0,0,0,0|2,0,0]=4 15861 B12R0.130 CC[C@@H](CO)NCCCC(=O)NC 2230a_100000709445_100000741757 [0,2,0,0,0,0|2,0,0]=4 15862 B12R0.130 CC[C@@H](CO)NCCCC(=O)OC 2230a_100000709445_100011218270 [0,2,0,0,0,0|1,0,0]=3 15863 B12R0.130 COC(=O)CCCNC(CO)CO 2230a_100000759517_100011218270 [0,2,0,0,0,0|2,0,0]=4 15864 B12R0.130 COC(=O)CCCOC(CCl)CCl 7a_100000737055_100011218270 [0,2,0,0,0,0|2,0,0]=4 15865 B12R0.130 COC(=O)CCCOC(CF)CF 34a_100000032261_100000742333 [0,2,0,0,0,0|2,0,0]=4 15866 B12R0.130 COC(=O)CCCOC(CF)CF 7a_100000032261_100011218270 [0,2,0,0,0,0|2,0,0]=4 15867 B12R0.130 COC(=O)CCCOC(CN)CN 34a_100000031598_100000742333 [0,2,0,0,0,0|2,0,0]=4 15868 B12R0.130 COC(=O)CCCO[C@@H](CF)CCl 34a_100015614560_100000742333 [0,2,0,0,0,0|2,0,0]=4 15869 B12R0.130 COC(=O)CCCO[C@@H](CF)CCl 7a_100015614560_100011218270 [0,2,0,0,0,0|2,0,0]=4 15870 B12R0.130 COC(=O)CCOCC(OC)OC 34a_100011216393_100000742370 [0,2,0,0,0,0|2,0,0]=4 15871 B12R0.130 COC(=O)CCSCC(OC)OC 62a_100000204255_100000751394 [0,2,0,0,0,0|2,0,0]=4 15872 B12R0.130 COC(=O)CCSCC(OC)OC 62a_100000751394_100000204255 [0,2,0,0,0,0|2,0,0]=4 15873 B12R0.130 COC(=O)CSCCC(OC)OC 62a_100000139399_100000747449 [0,2,0,0,0,0|2,0,0]=4 15874 B12R0.130 COC(=O)CSCCC(OC)OC 62a_100000747449_100000139399 [0,2,0,0,0,0|2,0,0]=4 15875 B12R0.156 C=C(CSCC(C)CC)C(=O)OC 62a_100000748023_100009813391 [0,2,0,0,0,0|1,0,1]=4 15876 B12R0.156 C=C(CSCC(C)CC)C(=O)OC 62a_100009813391_100000748023 [0,2,0,0,0,0|1,0,1]=4 15877 B12R0.156 C=C(CSCC(O)CC)C(=O)OC 62a_100009813391_100011218378 [0,2,0,0,0,0|1,0,1]=4 15878 B12R0.156 C=C(CSCC(O)CC)C(=O)OC 62a_100011218378_100009813391 [0,2,0,0,0,0|1,0,1]=4 15879 B12R0.156 C=C(CSC[C@@H](C)CC)C(=O)OC 62a_100009813391_100009816398 [0,2,0,0,0,0|1,0,1]=4 15880 B12R0.156 C=C(CSC[C@@H](C)CC)C(=O)OC 62a_100009816398_100009813391 [0,2,0,0,0,0|1,0,1]=4 15881 B12R0.156 CCC(=O)C(C)NCCC(C)CC 2230a_100020591266_100000742827 [0,2,0,0,0,0|2,0,0]=4 15882 B12R0.156 CCC(=O)C(C)OCCC(C)CC 7a_100011215188_100000742827 [0,2,0,0,0,0|2,0,0]=4 15883 B12R0.156 CCC(=O)C(C)SCCC(=O)OC 62a_100000204255_100000742827 [0,2,0,0,0,0|1,0,1]=4 15884 B12R0.156 CCC(=O)C(C)SCCC(=O)OC 62a_100000742827_100000204255 [0,2,0,0,0,0|1,0,1]=4 15885 B12R0.156 CCC(=O)CCCN(C)C(=O)OC 1458a_100000752137_100000210202 [0,2,0,0,0,0|1,0,1]=4 15886 B12R0.156 CCC(=O)COCC(C)C(=O)OC 34a_100000725409_100000698445 [0,2,0,0,0,0|1,0,1]=4 15887 B12R0.156 CCC(=O)COCC(C)C(=O)OC 7a_100000749362_100000747405 [0,2,0,0,0,0|1,0,1]=4 15888 B12R0.156 CCC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747405 [0,2,0,0,0,0|1,0,1]=4 15889 B12R0.156 CCC(=O)CSCC(C)C(=O)OC 62a_100000747405_100000698445 [0,2,0,0,0,0|1,0,1]=4 15890 B12R0.156 CCC(=O)N(C)CCCC(=O)OC 240690a_100000739225_100000210414 [0,2,0,0,0,0|1,0,1]=4 15891 B12R0.156 CCC(=O)N(C)CCCC(=O)OC 527a_100000739225_100000210414 [0,2,0,0,0,0|1,0,1]=4 15892 B12R0.156 CCC(C)C(=O)CCCC(=O)NC 1458a_100011192722_100000741757 [0,2,0,0,0,0|1,0,1]=4 15893 B12R0.156 CCC(C)C(=O)CCCC(=O)OC 1458a_100000239890_100000758301 [0,2,0,0,0,0|0,0,1]=3 15894 B12R0.156 CCC(C)C(=O)CCCC(=O)OC 1458a_100011192722_100011218270 [0,2,0,0,0,0|0,0,1]=3 15895 B12R0.156 CCC(C)C(=O)CSCC(=O)OC 1458a_100000191316_100000758301 [0,2,0,0,0,0|1,0,1]=4 15896 B12R0.156 CCC(C)C(=O)NCCC(=O)OC 188690a_100000683876_100011192722 [0,2,0,0,0,0|1,0,1]=4 15897 B12R0.156 CCC(C)C(C)NCCC(=O)NC 269862a_100000738227_100000210599 [0,2,0,0,0,0|2,0,0]=4 15898 B12R0.156 CCC(C)C(C)NCCC(=O)NC 270004a_100000738227_100000210599 [0,2,0,0,0,0|2,0,0]=4 15899 B12R0.156 CCC(C)C(C)OCCC(=O)NC 7a_100011215189_100000737683 [0,2,0,0,0,0|2,0,0]=4 15900 B12R0.156 CCC(C)C(C)OCCC(=O)OC 7a_100011215189_100000204255 [0,2,0,0,0,0|1,0,0]=3 15901 B12R0.156 CCC(C)CCNC(=O)C(=O)OC 11a_100020591266_100000024059 [0,2,0,0,0,0|1,0,1]=4 15902 B12R0.156 CCC(C)CCNC(=O)C(=O)OC 1626a_100020591266_100000024059 [0,2,0,0,0,0|1,0,1]=4 15903 B12R0.156 CCC(C)CCNC(=O)C(=O)OC 240690a_100020591266_100000024059 [0,2,0,0,0,0|1,0,1]=4 15904 B12R0.156 CCC(C)CCNC(=O)C(=O)OC 527a_100020591266_100000024059 [0,2,0,0,0,0|1,0,1]=4 15905 B12R0.156 CCC(C)CCNC(C)C(=O)NC 2230a_100020591266_100000731044 [0,2,0,0,0,0|2,0,0]=4 15906 B12R0.156 CCC(C)CCNC(C)C(=O)OC 2230a_100020591266_100000211248 [0,2,0,0,0,0|1,0,0]=3 15907 B12R0.156 CCC(C)CCNC(F)C(=O)NC 2230a_100020591266_100009813575 [0,2,0,0,0,0|2,0,0]=4 15908 B12R0.156 CCC(C)CCOC(C)C(=O)NC 7a_100011215188_100000209862 [0,2,0,0,0,0|2,0,0]=4 15909 B12R0.156 CCC(C)CCOC(C)C(=O)OC 7a_100011215188_100000211248 [0,2,0,0,0,0|1,0,0]=3 15910 B12R0.156 CCC(C)CCOC(F)C(=O)NC 7a_100011215188_100009813575 [0,2,0,0,0,0|2,0,0]=4 15911 B12R0.156 CCC(C)CNCC(C)C(=O)NC 2230a_100015187722_100000748023 [0,2,0,0,0,0|2,0,0]=4 15912 B12R0.156 CCC(C)CNCC(C)C(=O)NC 270004a_100015187722_100000243153 [0,2,0,0,0,0|2,0,0]=4 15913 B12R0.156 CCC(C)CNCC(C)C(=O)NC 34a_100015187722_100000748023 [0,2,0,0,0,0|2,0,0]=4 15914 B12R0.156 CCC(C)COCC(C)C(=O)OC 34a_100000749362_100000748023 [0,2,0,0,0,0|1,0,0]=3 15915 B12R0.156 CCC(C)COCC(C)C(=O)OC 7a_100000749362_100000748023 [0,2,0,0,0,0|1,0,0]=3 15916 B12R0.156 CCC(C)COCC(F)C(=O)OC 34a_200009849844_100000748023 [0,2,0,0,0,0|1,0,0]=3 15917 B12R0.156 CCC(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748023 [0,2,0,0,0,0|1,0,0]=3 15918 B12R0.156 CCC(C)CSCC(=O)C(=O)OC 62a_100000748023_100011610305 [0,2,0,0,0,0|1,0,1]=4 15919 B12R0.156 CCC(C)CSCC(=O)C(=O)OC 62a_100011610305_100000748023 [0,2,0,0,0,0|1,0,1]=4 15920 B12R0.156 CCC(C)CSCC(C)C(=O)OC 62a_100000698445_100000748023 [0,2,0,0,0,0|1,0,0]=3 15921 B12R0.156 CCC(C)CSCC(C)C(=O)OC 62a_100000748023_100000698445 [0,2,0,0,0,0|1,0,0]=3 15922 B12R0.156 CCC(C)N(C)CCCC(=O)NC 2230a_100000741768_100000741757 [0,2,0,0,0,0|2,0,0]=4 15923 B12R0.156 CCC(C)N(C)CCCC(=O)NC 269982a_100000741768_100000741757 [0,2,0,0,0,0|2,0,0]=4 15924 B12R0.156 CCC(C)N(C)CCCC(=O)OC 2230a_100000741768_100011218270 [0,2,0,0,0,0|1,0,0]=3 15925 B12R0.156 CCC(C)N(C)CCCC(=O)OC 269982a_100000739225_100000758301 [0,2,0,0,0,0|1,0,0]=3 15926 B12R0.156 CCC(C)N(C)CCCC(=O)OC 269982a_100000741768_100011218270 [0,2,0,0,0,0|1,0,0]=3 15927 B12R0.156 CCC(C)NCCC(C)C(=O)OC 2230a_100000209981_100000034942 [0,2,0,0,0,0|1,0,0]=3 15928 B12R0.156 CCC(C)OCCC(C)C(=O)OC 7a_100000210228_100000034942 [0,2,0,0,0,0|1,0,0]=3 15929 B12R0.156 CCC(C)SCCC(C)C(=O)OC 62a_100000034942_100000758301 [0,2,0,0,0,0|1,0,0]=3 15930 B12R0.156 CCC(C)SCCC(C)C(=O)OC 62a_100000758301_100000034942 [0,2,0,0,0,0|1,0,0]=3 15931 B12R0.156 CCC(O)C(=O)CCCC(=O)NC 1458a_100011196387_100000741757 [0,2,0,0,0,0|1,0,1]=4 15932 B12R0.156 CCC(O)C(=O)CCCC(=O)OC 1458a_100011196387_100011218270 [0,2,0,0,0,0|0,0,1]=3 15933 B12R0.156 CCC(O)C(=O)NCCC(=O)OC 188690a_100000683876_100011196387 [0,2,0,0,0,0|1,0,1]=4 15934 B12R0.156 CCC(O)CNCC(C)C(=O)NC 2230a_100015187722_100011218378 [0,2,0,0,0,0|2,0,0]=4 15935 B12R0.156 CCC(O)CNCC(C)C(=O)NC 34a_100015187722_100011218378 [0,2,0,0,0,0|2,0,0]=4 15936 B12R0.156 CCC(O)COCC(C)C(=O)OC 34a_100000749362_100011218378 [0,2,0,0,0,0|1,0,0]=3 15937 B12R0.156 CCC(O)COCC(C)C(=O)OC 7a_100000749362_100011218378 [0,2,0,0,0,0|1,0,0]=3 15938 B12R0.156 CCC(O)COCC(F)C(=O)OC 34a_200009849844_100011218378 [0,2,0,0,0,0|1,0,0]=3 15939 B12R0.156 CCC(O)COC[C@@H](N)C(=O)OC 34a_100000003586_100011218378 [0,2,0,0,0,0|1,0,0]=3 15940 B12R0.156 CCC(O)CSCC(=O)C(=O)OC 62a_100011218378_100011610305 [0,2,0,0,0,0|1,0,1]=4 15941 B12R0.156 CCC(O)CSCC(=O)C(=O)OC 62a_100011610305_100011218378 [0,2,0,0,0,0|1,0,1]=4 15942 B12R0.156 CCC(O)CSCC(C)C(=O)OC 62a_100000698445_100011218378 [0,2,0,0,0,0|1,0,0]=3 15943 B12R0.156 CCC(O)CSCC(C)C(=O)OC 62a_100011218378_100000698445 [0,2,0,0,0,0|1,0,0]=3 15944 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 11a_100000225621_100000239890 [0,2,0,0,0,0|1,0,1]=4 15945 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 1626a_100000225621_100000239890 [0,2,0,0,0,0|1,0,1]=4 15946 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 240690a_100000225621_100000239890 [0,2,0,0,0,0|1,0,1]=4 15947 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 527a_100000225621_100000239890 [0,2,0,0,0,0|1,0,1]=4 15948 B12R0.156 CCN(C)C(C)COCC(=O)OC 7a_100000732741_100000747449 [0,2,0,0,0,0|2,0,0]=4 15949 B12R0.156 CC[C@H](C)CNCC(C)C(=O)NC 2230a_100015187722_100009816398 [0,2,0,0,0,0|2,0,0]=4 15950 B12R0.156 CC[C@H](C)CNCC(C)C(=O)NC 34a_100015187722_100009816398 [0,2,0,0,0,0|2,0,0]=4 15951 B12R0.156 CC[C@H](C)COCC(C)C(=O)OC 34a_100000749362_100009816398 [0,2,0,0,0,0|1,0,0]=3 15952 B12R0.156 CC[C@H](C)COCC(C)C(=O)OC 7a_100000749362_100009816398 [0,2,0,0,0,0|1,0,0]=3 15953 B12R0.156 CC[C@H](C)COCC(F)C(=O)OC 34a_200009849844_100009816398 [0,2,0,0,0,0|1,0,0]=3 15954 B12R0.156 CC[C@H](C)COC[C@@H](N)C(=O)OC 34a_100000003586_100009816398 [0,2,0,0,0,0|1,0,0]=3 15955 B12R0.156 CC[C@H](C)CSCC(=O)C(=O)OC 62a_100009816398_100011610305 [0,2,0,0,0,0|1,0,1]=4 15956 B12R0.156 CC[C@H](C)CSCC(=O)C(=O)OC 62a_100011610305_100009816398 [0,2,0,0,0,0|1,0,1]=4 15957 B12R0.156 CC[C@H](C)CSCC(C)C(=O)OC 62a_100000698445_100009816398 [0,2,0,0,0,0|1,0,0]=3 15958 B12R0.156 CC[C@H](C)CSCC(C)C(=O)OC 62a_100009816398_100000698445 [0,2,0,0,0,0|1,0,0]=3 15959 B12R0.156 COC(=O)C(C)CCN[C@H](C)CO 2230a_100000737577_100000034942 [0,2,0,0,0,0|2,0,0]=4 15960 B12R0.156 COC(=O)C(C)CCOC(C)CF 34a_100016041109_100000034942 [0,2,0,0,0,0|2,0,0]=4 15961 B12R0.156 COC(=O)C(C)CCOC(C)CF 7a_100016041109_100000034942 [0,2,0,0,0,0|2,0,0]=4 15962 B12R0.156 COC(=O)C(C)CCOC(C)CN 34a_100000210904_100000034942 [0,2,0,0,0,0|2,0,0]=4 15963 B12R0.156 COC(=O)C(C)CCSC(C)CO 62a_100012180447_100000034942 [0,2,0,0,0,0|2,0,0]=4 15964 B12R0.156 COC(=O)C(C)CCSC(C)OC 62a_100000034942_100009879195 [0,2,0,0,0,0|2,0,0]=4 15965 B12R0.156 COC(=O)C(C)CCSC(C)OC 62a_100009879195_100000034942 [0,2,0,0,0,0|2,0,0]=4 15966 B12R0.156 COC(=O)C(C)CCS[C@H](C)CO 62a_100000034942_100016084084 [0,2,0,0,0,0|2,0,0]=4 15967 B12R0.156 COC(=O)C(C)CCS[C@H](C)CO 62a_100016084084_100000034942 [0,2,0,0,0,0|2,0,0]=4 15968 B12R0.156 COC(=O)C(C)CNCC(C)CO 34a_100000744482_100000698445 [0,2,0,0,0,0|2,0,0]=4 15969 B12R0.156 COC(=O)C(C)CNC[C@@H](F)CO 34a_100015665980_100000698445 [0,2,0,0,0,0|2,0,0]=4 15970 B12R0.156 COC(=O)C(C)COCC(C)CN 34a_100000744482_100000698445 [0,2,0,0,0,0|2,0,0]=4 15971 B12R0.156 COC(=O)C(C)COCC(C)OC 34a_100000690652_100000698445 [0,2,0,0,0,0|2,0,0]=4 15972 B12R0.156 COC(=O)C(C)COCC(Cl)CCl 34a_100000033668_100000698445 [0,2,0,0,0,0|2,0,0]=4 15973 B12R0.156 COC(=O)C(C)COCC(O)CO 34a_100000749362_100011219619 [0,2,0,0,0,0|2,0,0]=4 15974 B12R0.156 COC(=O)C(C)COCC(O)CO 7a_100000749362_100011219619 [0,2,0,0,0,0|2,0,0]=4 15975 B12R0.156 COC(=O)C(C)COC[C@@H](C)CO 34a_100000749362_100000059175 [0,2,0,0,0,0|2,0,0]=4 15976 B12R0.156 COC(=O)C(C)COC[C@@H](C)CO 7a_100000749362_100000059175 [0,2,0,0,0,0|2,0,0]=4 15977 B12R0.156 COC(=O)C(C)COC[C@@H](O)CF 34a_100000749362_100015614560 [0,2,0,0,0,0|2,0,0]=4 15978 B12R0.156 COC(=O)C(C)COC[C@@H](O)CF 7a_100000749362_100015614560 [0,2,0,0,0,0|2,0,0]=4 15979 B12R0.156 COC(=O)C(C)COC[C@@H](O)CO 34a_100000749362_100009815848 [0,2,0,0,0,0|2,0,0]=4 15980 B12R0.156 COC(=O)C(C)COC[C@@H](O)CO 7a_100000749362_100009815848 [0,2,0,0,0,0|2,0,0]=4 15981 B12R0.156 COC(=O)C(C)COC[C@H](F)CN 34a_100015665980_100000698445 [0,2,0,0,0,0|2,0,0]=4 15982 B12R0.156 COC(=O)C(C)CSCC(O)CO 62a_100000698445_100011219619 [0,2,0,0,0,0|2,0,0]=4 15983 B12R0.156 COC(=O)C(C)CSCC(O)CO 62a_100011219619_100000698445 [0,2,0,0,0,0|2,0,0]=4 15984 B12R0.156 COC(=O)C(C)CSC[C@@H](C)CO 62a_100000059175_100000698445 [0,2,0,0,0,0|2,0,0]=4 15985 B12R0.156 COC(=O)C(C)CSC[C@@H](C)CO 62a_100000698445_100000059175 [0,2,0,0,0,0|2,0,0]=4 15986 B12R0.156 COC(=O)C(C)CSC[C@@H](O)CF 62a_100000698445_100015614560 [0,2,0,0,0,0|2,0,0]=4 15987 B12R0.156 COC(=O)C(C)CSC[C@@H](O)CF 62a_100015614560_100000698445 [0,2,0,0,0,0|2,0,0]=4 15988 B12R0.156 COC(=O)C(C)CSC[C@@H](O)CO 62a_100000698445_100009815848 [0,2,0,0,0,0|2,0,0]=4 15989 B12R0.156 COC(=O)C(C)CSC[C@@H](O)CO 62a_100009815848_100000698445 [0,2,0,0,0,0|2,0,0]=4 15990 B12R0.156 COC(=O)C(C)NCCC(C)CO 2230a_106354213184_100000211248 [0,2,0,0,0,0|2,0,0]=4 15991 B12R0.156 COC(=O)C(C)NCCC(C)CO 34a_106354213184_100000211248 [0,2,0,0,0,0|2,0,0]=4 15992 B12R0.156 COC(=O)C(C)OCCC(C)OC 7a_100000764861_100000211248 [0,2,0,0,0,0|2,0,0]=4 15993 B12R0.156 COC(=O)C(F)COCC(O)CO 34a_200009849844_100011219619 [0,2,0,0,0,0|2,0,0]=4 15994 B12R0.156 COC(=O)C(F)COC[C@@H](C)CO 34a_200009849844_100000059175 [0,2,0,0,0,0|2,0,0]=4 15995 B12R0.156 COC(=O)C(F)COC[C@@H](O)CF 34a_200009849844_100015614560 [0,2,0,0,0,0|2,0,0]=4 15996 B12R0.156 COC(=O)C(F)COC[C@@H](O)CO 34a_200009849844_100009815848 [0,2,0,0,0,0|2,0,0]=4 15997 B12R0.156 COC(=O)CCCC(=O)C(C)OC 1458a_100000743197_100011218270 [0,2,0,0,0,0|1,0,1]=4 15998 B12R0.156 COC(=O)CCCC(=O)C(C)SC 1458a_100000149566_100011218270 [0,2,0,0,0,0|1,0,1]=4 15999 B12R0.156 COC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100011218270 [0,2,0,0,0,0|1,0,1]=4 16000 B12R0.156 COC(=O)CCCN(C)C(C)CO 2230a_100000693034_100011218270 [0,2,0,0,0,0|2,0,0]=4 16001 B12R0.156 COC(=O)CCCN(C)C(C)CO 269982a_100000693034_100011218270 [0,2,0,0,0,0|2,0,0]=4 16002 B12R0.156 COC(=O)CCCN(C)C(C)OC 269982a_100000739225_100009879195 [0,2,0,0,0,0|2,0,0]=4 16003 B12R0.156 COC(=O)CCCN(C)[C@H](C)CO 269982a_100000739225_100016084084 [0,2,0,0,0,0|2,0,0]=4 16004 B12R0.156 COC(=O)[C@H](N)COCC(O)CO 34a_100000003586_100011219619 [0,2,0,0,0,0|2,0,0]=4 16005 B12R0.156 COC(=O)[C@H](N)COC[C@@H](C)CO 34a_100000003586_100000059175 [0,2,0,0,0,0|2,0,0]=4 16006 B12R0.156 COC(=O)[C@H](N)COC[C@@H](O)CF 34a_100000003586_100015614560 [0,2,0,0,0,0|2,0,0]=4 16007 B12R0.156 COC(=O)[C@H](N)COC[C@@H](O)CO 34a_100000003586_100009815848 [0,2,0,0,0,0|2,0,0]=4 16008 B12R0.86 C=C(C)CCOCC(C)C(=O)OC 34a_100000749362_100000730704 [0,2,0,0,0,0|1,0,1]=4 16009 B12R0.86 C=C(C)CCOCC(C)C(=O)OC 34a_100000764851_100000698445 [0,2,0,0,0,0|1,0,1]=4 16010 B12R0.86 C=C(C)CCOCC(C)C(=O)OC 7a_100000749362_100000730704 [0,2,0,0,0,0|1,0,1]=4 16011 B12R0.86 C=C(C)CCOCC(F)C(=O)OC 34a_200009849844_100000730704 [0,2,0,0,0,0|1,0,1]=4 16012 B12R0.86 C=C(C)CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000730704 [0,2,0,0,0,0|1,0,1]=4 16013 B12R0.86 C=C(C)CCSCC(C)C(=O)OC 62a_100000698445_100000730704 [0,2,0,0,0,0|1,0,1]=4 16014 B12R0.86 C=C(C)CCSCC(C)C(=O)OC 62a_100000730704_100000698445 [0,2,0,0,0,0|1,0,1]=4 16015 B12R0.86 C=C(C)COCCC(C)C(=O)OC 34a_100000210245_100000034942 [0,2,0,0,0,0|1,0,1]=4 16016 B12R0.86 C=C(C)CSCCC(C)C(=O)OC 62a_100000034942_100000211660 [0,2,0,0,0,0|1,0,1]=4 16017 B12R0.86 C=C(C)CSCCC(C)C(=O)OC 62a_100000748629_100000034942 [0,2,0,0,0,0|1,0,1]=4 16018 B12R0.86 C=C(COCCC(C)Br)C(=O)OC 34a_100009893172_100009813391 [0,2,0,0,0,0|1,0,1]=4 16019 B12R0.86 C=C(COCCC(C)C)C(=O)OC 34a_100000210254_100009813391 [0,2,0,0,0,0|1,0,1]=4 16020 B12R0.86 C=C(COCC[C@@H](C)N)C(=O)OC 34a_100000706166_100009813391 [0,2,0,0,0,0|1,0,1]=4 16021 B12R0.86 C=C(CSCCC(C)C)C(=O)OC 62a_100000210312_100009813391 [0,2,0,0,0,0|1,0,1]=4 16022 B12R0.86 C=C(CSCCC(C)C)C(=O)OC 62a_100009813391_100000210312 [0,2,0,0,0,0|1,0,1]=4 16023 B12R0.86 C=C(CSCCC(C)O)C(=O)OC 62a_100009813391_100012276601 [0,2,0,0,0,0|1,0,1]=4 16024 B12R0.86 C=C(CSCCC(C)O)C(=O)OC 62a_100012276601_100009813391 [0,2,0,0,0,0|1,0,1]=4 16025 B12R0.86 CCC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000742827 [0,2,0,0,0,0|2,0,0]=4 16026 B12R0.86 CCC(=O)C(C)OCCCC(C)C 7a_100000210774_100000742827 [0,2,0,0,0,0|2,0,0]=4 16027 B12R0.86 CCC(=O)C(C)SCCCC(C)C 62a_100000742827_100011214892 [0,2,0,0,0,0|2,0,0]=4 16028 B12R0.86 CCC(=O)C(C)SCCCC(C)C 62a_100011214892_100000742827 [0,2,0,0,0,0|2,0,0]=4 16029 B12R0.86 CCC(=O)C(C)SCCCC(C)O 62a_100000742827_200000718107 [0,2,0,0,0,0|2,0,0]=4 16030 B12R0.86 CCC(=O)C(C)SCCCC(C)O 62a_200000718107_100000742827 [0,2,0,0,0,0|2,0,0]=4 16031 B12R0.86 CNC(=O)C(=O)CCCCC(C)C 1458a_100011218921_100011216152 [0,2,0,0,0,0|1,0,1]=4 16032 B12R0.86 CNC(=O)C(C)CNCCC(C)C 2230a_100015187722_100000210312 [0,2,0,0,0,0|2,0,0]=4 16033 B12R0.86 CNC(=O)C(C)CNCCC(C)C 269862a_100015187722_100000185833 [0,2,0,0,0,0|2,0,0]=4 16034 B12R0.86 CNC(=O)C(C)CNCCC(C)C 34a_100015187722_100000210312 [0,2,0,0,0,0|2,0,0]=4 16035 B12R0.86 CNC(=O)C(C)CNCCC(C)O 2230a_100015187722_100012276601 [0,2,0,0,0,0|2,0,0]=4 16036 B12R0.86 CNC(=O)C(C)CNCCC(C)O 34a_100015187722_100012276601 [0,2,0,0,0,0|2,0,0]=4 16037 B12R0.86 CNC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000731044 [0,2,0,0,0,0|2,0,0]=4 16038 B12R0.86 CNC(=O)C(C)NCCCC(C)C 34a_200000737386_100000731044 [0,2,0,0,0,0|2,0,0]=4 16039 B12R0.86 CNC(=O)C(C)OCCCC(C)C 34a_100000210774_100000731044 [0,2,0,0,0,0|2,0,0]=4 16040 B12R0.86 CNC(=O)C(C)OCCCC(C)C 7a_100000210774_100000209862 [0,2,0,0,0,0|2,0,0]=4 16041 B12R0.86 CNC(=O)C(C)SCCCC(C)C 62a_100000209862_100011214892 [0,2,0,0,0,0|2,0,0]=4 16042 B12R0.86 CNC(=O)C(C)SCCCC(C)C 62a_100011214892_100000731044 [0,2,0,0,0,0|2,0,0]=4 16043 B12R0.86 CNC(=O)C(C)SCCCC(C)O 62a_100000209862_200000718107 [0,2,0,0,0,0|2,0,0]=4 16044 B12R0.86 CNC(=O)C(C)SCCCC(C)O 62a_200000718107_100000731044 [0,2,0,0,0,0|2,0,0]=4 16045 B12R0.86 CNC(=O)C(F)NCCCC(C)C 2230a_200000737386_100009813575 [0,2,0,0,0,0|2,0,0]=4 16046 B12R0.86 CNC(=O)C(F)NCCCC(C)C 34a_200000737386_100009813575 [0,2,0,0,0,0|2,0,0]=4 16047 B12R0.86 CNC(=O)C(F)OCCCC(C)C 34a_100000210774_100009813575 [0,2,0,0,0,0|2,0,0]=4 16048 B12R0.86 CNC(=O)C(F)OCCCC(C)C 7a_100000210774_100009813575 [0,2,0,0,0,0|2,0,0]=4 16049 B12R0.86 CNC(=O)C(F)SCCCC(C)C 62a_100009813575_100011214892 [0,2,0,0,0,0|2,0,0]=4 16050 B12R0.86 CNC(=O)C(F)SCCCC(C)C 62a_100011214892_100009813575 [0,2,0,0,0,0|2,0,0]=4 16051 B12R0.86 CNC(=O)C(F)SCCCC(C)O 62a_100009813575_200000718107 [0,2,0,0,0,0|2,0,0]=4 16052 B12R0.86 CNC(=O)C(F)SCCCC(C)O 62a_200000718107_100009813575 [0,2,0,0,0,0|2,0,0]=4 16053 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)C 2230a_100000684985_100011214892 [0,2,0,0,0,0|2,0,0]=4 16054 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)C 34a_100000684985_100011214892 [0,2,0,0,0,0|2,0,0]=4 16055 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)O 2230a_100000684985_200000718107 [0,2,0,0,0,0|2,0,0]=4 16056 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)O 34a_100000684985_200000718107 [0,2,0,0,0,0|2,0,0]=4 16057 B12R0.86 COC(=O)C(=O)COCCC(C)Br 34a_100009893172_100011610305 [0,2,0,0,0,0|1,0,1]=4 16058 B12R0.86 COC(=O)C(=O)COCCC(C)C 34a_100000210254_100011610305 [0,2,0,0,0,0|1,0,1]=4 16059 B12R0.86 COC(=O)C(=O)COCC[C@@H](C)N 34a_100000706166_100011610305 [0,2,0,0,0,0|1,0,1]=4 16060 B12R0.86 COC(=O)C(=O)CSCCC(C)C 62a_100000210312_100011610305 [0,2,0,0,0,0|1,0,1]=4 16061 B12R0.86 COC(=O)C(=O)CSCCC(C)C 62a_100011610305_100000210312 [0,2,0,0,0,0|1,0,1]=4 16062 B12R0.86 COC(=O)C(=O)CSCCC(C)O 62a_100011610305_100012276601 [0,2,0,0,0,0|1,0,1]=4 16063 B12R0.86 COC(=O)C(=O)CSCCC(C)O 62a_100012276601_100011610305 [0,2,0,0,0,0|1,0,1]=4 16064 B12R0.86 COC(=O)C(=O)NCCCC(C)C 11a_200000737386_100000024059 [0,2,0,0,0,0|1,0,1]=4 16065 B12R0.86 COC(=O)C(=O)NCCCC(C)C 1626a_200000737386_100000024059 [0,2,0,0,0,0|1,0,1]=4 16066 B12R0.86 COC(=O)C(=O)NCCCC(C)C 240690a_200000737386_100000024059 [0,2,0,0,0,0|1,0,1]=4 16067 B12R0.86 COC(=O)C(=O)NCCCC(C)C 527a_200000737386_100000024059 [0,2,0,0,0,0|1,0,1]=4 16068 B12R0.86 COC(=O)C(C)CCNCC(C)C 2230a_100000210953_100000034942 [0,2,0,0,0,0|1,0,0]=3 16069 B12R0.86 COC(=O)C(C)CCNCC(C)C 34a_100000210953_100000034942 [0,2,0,0,0,0|1,0,0]=3 16070 B12R0.86 COC(=O)C(C)CCNCC(C)O 2230a_100000210904_100000034942 [0,2,0,0,0,0|1,0,0]=3 16071 B12R0.86 COC(=O)C(C)CCNCC(C)O 34a_100000210904_100000034942 [0,2,0,0,0,0|1,0,0]=3 16072 B12R0.86 COC(=O)C(C)CCNCC(F)F 34a_100000765723_100000034942 [0,2,0,0,0,0|2,0,0]=4 16073 B12R0.86 COC(=O)C(C)CCOCC(=O)C 34a_100000211253_100000034942 [0,2,0,0,0,0|1,0,1]=4 16074 B12R0.86 COC(=O)C(C)CCOCC(C)Br 34a_100012180447_100000034942 [0,2,0,0,0,0|1,0,0]=3 16075 B12R0.86 COC(=O)C(C)CCOCC(C)C 34a_100000210257_100000034942 [0,2,0,0,0,0|1,0,0]=3 16076 B12R0.86 COC(=O)C(C)CCOCC(C)F 34a_100015925927_100000034942 [0,2,0,0,0,0|1,0,0]=3 16077 B12R0.86 COC(=O)C(C)CCOCC(F)F 34a_100000743014_100000034942 [0,2,0,0,0,0|2,0,0]=4 16078 B12R0.86 COC(=O)C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000034942 [0,2,0,0,0,0|1,0,0]=3 16079 B12R0.86 COC(=O)C(C)CCOC[C@@H](C)N 34a_100000737577_100000034942 [0,2,0,0,0,0|1,0,0]=3 16080 B12R0.86 COC(=O)C(C)CCSCC(C)C 62a_100000034942_100000210760 [0,2,0,0,0,0|1,0,0]=3 16081 B12R0.86 COC(=O)C(C)CCSCC(C)C 62a_100000210624_100000034942 [0,2,0,0,0,0|1,0,0]=3 16082 B12R0.86 COC(=O)C(C)CCSCC(C)O 62a_100000034942_100011218427 [0,2,0,0,0,0|1,0,0]=3 16083 B12R0.86 COC(=O)C(C)CCSCC(C)O 62a_100011218427_100000034942 [0,2,0,0,0,0|1,0,0]=3 16084 B12R0.86 COC(=O)C(C)CCSCC(F)F 62a_100000034942_100011934356 [0,2,0,0,0,0|2,0,0]=4 16085 B12R0.86 COC(=O)C(C)CCSCC(F)F 62a_100011934356_100000034942 [0,2,0,0,0,0|2,0,0]=4 16086 B12R0.86 COC(=O)C(C)CCSC[C@@H](C)O 62a_100000034942_100009817552 [0,2,0,0,0,0|1,0,0]=3 16087 B12R0.86 COC(=O)C(C)CCSC[C@@H](C)O 62a_100009817552_100000034942 [0,2,0,0,0,0|1,0,0]=3 16088 B12R0.86 COC(=O)C(C)COCCC(=O)C 34a_100000759926_100000698445 [0,2,0,0,0,0|1,0,1]=4 16089 B12R0.86 COC(=O)C(C)COCCC(=O)C 7a_100000749362_100000053229 [0,2,0,0,0,0|1,0,1]=4 16090 B12R0.86 COC(=O)C(C)COCCC(C)Br 34a_100009893172_100000698445 [0,2,0,0,0,0|1,0,0]=3 16091 B12R0.86 COC(=O)C(C)COCCC(C)C 34a_100000210254_100000698445 [0,2,0,0,0,0|1,0,0]=3 16092 B12R0.86 COC(=O)C(C)COCCC(C)C 34a_100000749362_100000210312 [0,2,0,0,0,0|1,0,0]=3 16093 B12R0.86 COC(=O)C(C)COCCC(C)C 7a_100000749362_100000210626 [0,2,0,0,0,0|1,0,0]=3 16094 B12R0.86 COC(=O)C(C)COCCC(C)O 34a_100000749362_100012276601 [0,2,0,0,0,0|1,0,0]=3 16095 B12R0.86 COC(=O)C(C)COCCC(C)O 7a_100000749362_100012276601 [0,2,0,0,0,0|1,0,0]=3 16096 B12R0.86 COC(=O)C(C)COCCC(F)F 34a_100103093639_100000698445 [0,2,0,0,0,0|2,0,0]=4 16097 B12R0.86 COC(=O)C(C)COCCN(C)C 7a_100000749362_100000755713 [0,2,0,0,0,0|2,0,0]=4 16098 B12R0.86 COC(=O)C(C)COCC[C@@H](C)N 34a_100000706166_100000698445 [0,2,0,0,0,0|1,0,0]=3 16099 B12R0.86 COC(=O)C(C)COCOC(C)C 34a_100000749362_100000709892 [0,2,0,0,0,0|2,0,0]=4 16100 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000053229_100000698445 [0,2,0,0,0,0|1,0,1]=4 16101 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000698445_100000053229 [0,2,0,0,0,0|1,0,1]=4 16102 B12R0.86 COC(=O)C(C)CSCCC(C)C 62a_100000210312_100000698445 [0,2,0,0,0,0|1,0,0]=3 16103 B12R0.86 COC(=O)C(C)CSCCC(C)C 62a_100000698445_100000210312 [0,2,0,0,0,0|1,0,0]=3 16104 B12R0.86 COC(=O)C(C)CSCCC(C)O 62a_100000698445_100012276601 [0,2,0,0,0,0|1,0,0]=3 16105 B12R0.86 COC(=O)C(C)CSCCC(C)O 62a_100012276601_100000698445 [0,2,0,0,0,0|1,0,0]=3 16106 B12R0.86 COC(=O)C(C)CSCCN(C)C 62a_100000698445_100000755713 [0,2,0,0,0,0|2,0,0]=4 16107 B12R0.86 COC(=O)C(C)CSCOC(C)C 62a_100000698445_100000709892 [0,2,0,0,0,0|2,0,0]=4 16108 B12R0.86 COC(=O)C(C)CSCOC(C)C 62a_100000709892_100000698445 [0,2,0,0,0,0|2,0,0]=4 16109 B12R0.86 COC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000211248 [0,2,0,0,0,0|1,0,0]=3 16110 B12R0.86 COC(=O)C(C)NCCCC(C)C 34a_200000737386_100000211248 [0,2,0,0,0,0|1,0,0]=3 16111 B12R0.86 COC(=O)C(C)NCCCS(=O)C 2230a_200000753449_100000211248 [0,2,0,0,0,0|2,0,0]=4 16112 B12R0.86 COC(=O)C(C)NCCOC(C)C 2230a_100000701111_100000211248 [0,2,0,0,0,0|2,0,0]=4 16113 B12R0.86 COC(=O)C(C)NCCOC(C)C 34a_100000701111_100000211248 [0,2,0,0,0,0|2,0,0]=4 16114 B12R0.86 COC(=O)C(C)NCCSC(C)C 2230a_100000731138_100000211248 [0,2,0,0,0,0|2,0,0]=4 16115 B12R0.86 COC(=O)C(C)NCCSC(C)C 34a_100000731138_100000211248 [0,2,0,0,0,0|2,0,0]=4 16116 B12R0.86 COC(=O)C(C)OCCCC(=O)C 34a_100000759063_100000211248 [0,2,0,0,0,0|1,0,1]=4 16117 B12R0.86 COC(=O)C(C)OCCCC(=O)C 34a_100011215400_100000685027 [0,2,0,0,0,0|1,0,1]=4 16118 B12R0.86 COC(=O)C(C)OCCCC(=O)C 7a_100000759063_100000211248 [0,2,0,0,0,0|1,0,1]=4 16119 B12R0.86 COC(=O)C(C)OCCCC(C)C 34a_100000210774_100000211248 [0,2,0,0,0,0|1,0,0]=3 16120 B12R0.86 COC(=O)C(C)OCCCC(C)C 34a_100011215400_100011214892 [0,2,0,0,0,0|1,0,0]=3 16121 B12R0.86 COC(=O)C(C)OCCCC(C)C 7a_100000210774_100000211248 [0,2,0,0,0,0|1,0,0]=3 16122 B12R0.86 COC(=O)C(C)OCCCC(C)O 34a_100011215400_200000718107 [0,2,0,0,0,0|1,0,0]=3 16123 B12R0.86 COC(=O)C(C)OCCNC(C)C 34a_100000224655_100000211248 [0,2,0,0,0,0|2,0,0]=4 16124 B12R0.86 COC(=O)C(C)OCCOC(C)C 34a_100000211219_100000211248 [0,2,0,0,0,0|2,0,0]=4 16125 B12R0.86 COC(=O)C(C)OCCOC(C)C 34a_100011215400_100000211751 [0,2,0,0,0,0|2,0,0]=4 16126 B12R0.86 COC(=O)C(C)OCCOC(C)C 7a_100000211219_100000211248 [0,2,0,0,0,0|2,0,0]=4 16127 B12R0.86 COC(=O)C(C)OCCSC(C)C 34a_100011215400_100000730970 [0,2,0,0,0,0|2,0,0]=4 16128 B12R0.86 COC(=O)C(C)OCCSC(C)C 34a_200011212901_100000211248 [0,2,0,0,0,0|2,0,0]=4 16129 B12R0.86 COC(=O)C(C)OCCSC(C)C 7a_200011212901_100000211248 [0,2,0,0,0,0|2,0,0]=4 16130 B12R0.86 COC(=O)C(C)SCCCC(=O)C 62a_100000211248_100011215641 [0,2,0,0,0,0|1,0,1]=4 16131 B12R0.86 COC(=O)C(C)SCCCC(=O)C 62a_100011215641_100000211248 [0,2,0,0,0,0|1,0,1]=4 16132 B12R0.86 COC(=O)C(C)SCCCC(C)C 62a_100000211248_100011214892 [0,2,0,0,0,0|1,0,0]=3 16133 B12R0.86 COC(=O)C(C)SCCCC(C)C 62a_100011214892_100000211248 [0,2,0,0,0,0|1,0,0]=3 16134 B12R0.86 COC(=O)C(C)SCCCC(C)O 62a_100000211248_200000718107 [0,2,0,0,0,0|1,0,0]=3 16135 B12R0.86 COC(=O)C(C)SCCCC(C)O 62a_200000718107_100000211248 [0,2,0,0,0,0|1,0,0]=3 16136 B12R0.86 COC(=O)C(C)SCCCN(C)C 62a_100000211248_100000757444 [0,2,0,0,0,0|2,0,0]=4 16137 B12R0.86 COC(=O)C(C)SCCOC(C)C 62a_100000211248_100000211751 [0,2,0,0,0,0|2,0,0]=4 16138 B12R0.86 COC(=O)C(C)SCCOC(C)C 62a_100000211751_100000211248 [0,2,0,0,0,0|2,0,0]=4 16139 B12R0.86 COC(=O)C(C)SCCSC(C)C 62a_100000211248_100000730970 [0,2,0,0,0,0|2,0,0]=4 16140 B12R0.86 COC(=O)C(C)SCCSC(C)C 62a_100000730970_100000211248 [0,2,0,0,0,0|2,0,0]=4 16141 B12R0.86 COC(=O)C(F)COCCC(C)C 34a_200009849844_100000210312 [0,2,0,0,0,0|1,0,0]=3 16142 B12R0.86 COC(=O)C(F)COCCC(C)O 34a_200009849844_100012276601 [0,2,0,0,0,0|1,0,0]=3 16143 B12R0.86 COC(=O)C(F)COCOC(C)C 34a_200009849844_100000709892 [0,2,0,0,0,0|2,0,0]=4 16144 B12R0.86 COC(=O)[C@H](N)COCCC(C)C 34a_100000003586_100000210312 [0,2,0,0,0,0|1,0,0]=3 16145 B12R0.86 COC(=O)[C@H](N)COCCC(C)O 34a_100000003586_100012276601 [0,2,0,0,0,0|1,0,0]=3 16146 B12R0.86 COC(=O)[C@H](N)COCOC(C)C 34a_100000003586_100000709892 [0,2,0,0,0,0|2,0,0]=4 16147 B12R0.150 CC(C)(C)CCCCCC(=O)CF 1458a_100012017116_100015361967 [0,2,0,0,0,0|2,0,0]=4 16148 B12R0.150 CCC(=O)CCCCCC(C)(C)C 1458a_100012017116_100000210202 [0,2,0,0,0,0|1,0,0]=3 16149 B12R0.150 CCC(=O)CCCCCC(F)(F)F 1458a_100000210414_100010187589 [0,2,0,0,0,0|2,0,0]=4 16150 B12R0.150 CCC(=O)CCCCC[N+](C)(C)C 1458a_100000210414_100009813293 [0,2,0,0,0,0|2,0,0]=4 16151 B12R0.150 CCC(=O)COCCCC(C)(C)O 34a_100000725409_100009888830 [0,2,0,0,0,0|2,0,0]=4 16152 B12R0.150 CCC(=O)CSCCCC(C)(C)O 62a_100000747405_100009888830 [0,2,0,0,0,0|2,0,0]=4 16153 B12R0.150 CCC(=O)CSCCCC(C)(C)O 62a_100009888830_100000747405 [0,2,0,0,0,0|2,0,0]=4 16154 B12R0.150 CNC(=O)CCCCCC(C)(C)C 11a_106832991635_100012017116 [0,2,0,0,0,0|1,0,0]=3 16155 B12R0.150 CNC(=O)CCCCCC(C)(C)C 1626a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 16156 B12R0.150 CNC(=O)CCCCCC(C)(C)C 240690a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 16157 B12R0.150 CNC(=O)CCCCCC(C)(C)C 527a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 16158 B12R0.150 CNC(=O)CCCNCC(C)(C)C 2230a_100000743828_100000741757 [0,2,0,0,0,0|2,0,0]=4 16159 B12R0.150 CNC(=O)CCCNCC(C)(C)C 270004a_100000740002_100011204126 [0,2,0,0,0,0|2,0,0]=4 16160 B12R0.150 CNC(=O)CCCNCC(C)(C)C 34a_100000740002_100011219605 [0,2,0,0,0,0|2,0,0]=4 16161 B12R0.150 CNC(=O)CCCNCC(C)(C)F 2230a_100020643315_100000741757 [0,2,0,0,0,0|2,0,0]=4 16162 B12R0.150 CNC(=O)CCCNCC(C)(C)F 34a_100000740002_100011997219 [0,2,0,0,0,0|2,0,0]=4 16163 B12R0.150 CNC(=O)CCCNCC(C)(C)O 2230a_100000751335_100000741757 [0,2,0,0,0,0|2,0,0]=4 16164 B12R0.150 CNC(=O)CCCNCC(C)(C)O 34a_100000740002_100000764493 [0,2,0,0,0,0|2,0,0]=4 16165 B12R0.150 CNC(=O)CCCOCC(C)(C)F 34a_100000716592_100000741757 [0,2,0,0,0,0|2,0,0]=4 16166 B12R0.150 CNC(=O)CCCOCC(C)(F)F 34a_100000068830_100000741757 [0,2,0,0,0,0|2,0,0]=4 16167 B12R0.150 CNC(=O)CCCSCC(C)(C)C 62a_100000741757_100011219605 [0,2,0,0,0,0|2,0,0]=4 16168 B12R0.150 CNC(=O)CCCSCC(C)(C)C 62a_100011219605_100000741757 [0,2,0,0,0,0|2,0,0]=4 16169 B12R0.150 CNC(=O)CCCSCC(C)(C)F 62a_100000741757_100011997219 [0,2,0,0,0,0|2,0,0]=4 16170 B12R0.150 CNC(=O)CCCSCC(C)(C)F 62a_100011997219_100000741757 [0,2,0,0,0,0|2,0,0]=4 16171 B12R0.150 CNC(=O)CCCSCC(C)(C)O 62a_100000741757_100000764493 [0,2,0,0,0,0|2,0,0]=4 16172 B12R0.150 CNC(=O)CCCSCC(C)(C)O 62a_100000764493_100000741757 [0,2,0,0,0,0|2,0,0]=4 16173 B12R0.150 CNC(=O)CCNCCC(C)(C)C 2230a_100000738227_100000755188 [0,2,0,0,0,0|2,0,0]=4 16174 B12R0.150 CNC(=O)CCNCCC(C)(C)C 2230a_100000738805_100000737683 [0,2,0,0,0,0|2,0,0]=4 16175 B12R0.150 CNC(=O)CCNCCC(C)(C)C 34a_100000738227_100000755188 [0,2,0,0,0,0|2,0,0]=4 16176 B12R0.150 CNC(=O)CCNCCC(C)(C)F 2230a_100016253952_100000737683 [0,2,0,0,0,0|2,0,0]=4 16177 B12R0.150 CNC(=O)CCNCCC(C)(C)O 2230a_100000738227_100000702414 [0,2,0,0,0,0|2,0,0]=4 16178 B12R0.150 CNC(=O)CCNCCC(C)(C)O 34a_100000738227_100000702414 [0,2,0,0,0,0|2,0,0]=4 16179 B12R0.150 CNC(=O)CCOCCC(C)(C)C 34a_100000754576_100000755188 [0,2,0,0,0,0|2,0,0]=4 16180 B12R0.150 CNC(=O)CCOCCC(C)(C)C 7a_100000765024_100000737683 [0,2,0,0,0,0|2,0,0]=4 16181 B12R0.150 CNC(=O)CCOCCC(C)(C)O 34a_100000754576_100000702414 [0,2,0,0,0,0|2,0,0]=4 16182 B12R0.150 CNC(=O)CCSCCC(C)(C)C 62a_100000737683_100000755188 [0,2,0,0,0,0|2,0,0]=4 16183 B12R0.150 CNC(=O)CCSCCC(C)(C)C 62a_100000755188_100000737683 [0,2,0,0,0,0|2,0,0]=4 16184 B12R0.150 CNC(=O)CCSCCC(C)(C)O 62a_100000702414_100000737683 [0,2,0,0,0,0|2,0,0]=4 16185 B12R0.150 CNC(=O)CCSCCC(C)(C)O 62a_100000737683_100000702414 [0,2,0,0,0,0|2,0,0]=4 16186 B12R0.150 CNC(=O)CNCCCC(C)(C)O 2230a_100000693194_100009888830 [0,2,0,0,0,0|2,0,0]=4 16187 B12R0.150 CNC(=O)COCCCC(C)(C)O 34a_100000750040_100009888830 [0,2,0,0,0,0|2,0,0]=4 16188 B12R0.150 CNC(=O)CSCCCC(C)(C)O 62a_100000183359_100009888830 [0,2,0,0,0,0|2,0,0]=4 16189 B12R0.150 CNC(=O)CSCCCC(C)(C)O 62a_100009888830_100000183359 [0,2,0,0,0,0|2,0,0]=4 16190 B12R0.150 COC(=O)CCCCNC(C)(C)C 2230a_100000715429_100000204269 [0,2,0,0,0,0|1,0,0]=3 16191 B12R0.150 COC(=O)CCCCOC(C)(C)C 34a_100000059025_100000210625 [0,2,0,0,0,0|1,0,0]=3 16192 B12R0.150 COC(=O)CCCCOC(C)(C)C 34a_100015890283_100000204269 [0,2,0,0,0,0|1,0,0]=3 16193 B12R0.150 COC(=O)CCCCOC(C)(C)C 7a_100015890283_100000204269 [0,2,0,0,0,0|1,0,0]=3 16194 B12R0.150 COC(=O)CCCCOC(F)(F)F 34a_100000059025_200103152311 [0,2,0,0,0,0|2,0,0]=4 16195 B12R0.150 COC(=O)CCCCOC(F)(F)F 7a_100000059025_200000243211 [0,2,0,0,0,0|2,0,0]=4 16196 B12R0.150 COC(=O)CCCCSC(C)(C)C 62a_100000204269_100000211941 [0,2,0,0,0,0|1,0,0]=3 16197 B12R0.150 COC(=O)CCCCSC(C)(C)C 62a_100000211941_100000204269 [0,2,0,0,0,0|1,0,0]=3 16198 B12R0.150 COC(=O)CCCCSC(F)(F)F 62a_100000204269_200103152311 [0,2,0,0,0,0|2,0,0]=4 16199 B12R0.150 COC(=O)CCCCSC(F)(F)F 62a_200000243211_100000204269 [0,2,0,0,0,0|2,0,0]=4 16200 B12R0.150 COC(=O)CCCNCC(C)(C)C 2230a_100000743828_100011218270 [0,2,0,0,0,0|1,0,0]=3 16201 B12R0.150 COC(=O)CCCNCC(C)(C)F 2230a_100020643315_100011218270 [0,2,0,0,0,0|1,0,0]=3 16202 B12R0.150 COC(=O)CCCNCC(C)(C)O 2230a_100000751335_100011218270 [0,2,0,0,0,0|1,0,0]=3 16203 B12R0.150 COC(=O)CCCNCC(F)(F)F 34a_100000717047_100000742333 [0,2,0,0,0,0|2,0,0]=4 16204 B12R0.150 COC(=O)CCCOCC(C)(C)F 34a_100000716592_100000742333 [0,2,0,0,0,0|1,0,0]=3 16205 B12R0.150 COC(=O)CCCOCC(C)(F)F 34a_100000068830_100000742333 [0,2,0,0,0,0|1,0,0]=3 16206 B12R0.150 COC(=O)CCCOCC(F)(F)Br 34a_100011217949_100000742333 [0,2,0,0,0,0|2,0,0]=4 16207 B12R0.150 COC(=O)CCCOCC(F)(F)Cl 34a_100000734434_100000742333 [0,2,0,0,0,0|2,0,0]=4 16208 B12R0.150 COC(=O)CCCOCC(F)(F)F 34a_100000210435_100000742333 [0,2,0,0,0,0|2,0,0]=4 16209 B12R0.150 COC(=O)CCCSCC(C)(C)C 62a_100011218270_100011219605 [0,2,0,0,0,0|1,0,0]=3 16210 B12R0.150 COC(=O)CCCSCC(C)(C)C 62a_100011219605_100011218270 [0,2,0,0,0,0|1,0,0]=3 16211 B12R0.150 COC(=O)CCCSCC(C)(C)F 62a_100011218270_100011997219 [0,2,0,0,0,0|1,0,0]=3 16212 B12R0.150 COC(=O)CCCSCC(C)(C)F 62a_100011997219_100011218270 [0,2,0,0,0,0|1,0,0]=3 16213 B12R0.150 COC(=O)CCCSCC(C)(C)O 62a_100000764493_100011218270 [0,2,0,0,0,0|1,0,0]=3 16214 B12R0.150 COC(=O)CCCSCC(C)(C)O 62a_100011218270_100000764493 [0,2,0,0,0,0|1,0,0]=3 16215 B12R0.150 COC(=O)CCCSCC(F)(F)F 62a_100000763148_100011218270 [0,2,0,0,0,0|2,0,0]=4 16216 B12R0.150 COC(=O)CCCSCC(F)(F)F 62a_100011218270_100000763148 [0,2,0,0,0,0|2,0,0]=4 16217 B12R0.150 COC(=O)CCCSC[N+](C)(C)C 62a_100011218270_200000036245 [0,2,0,0,0,0|2,0,0]=4 16218 B12R0.150 COC(=O)CCCSC[N+](C)(C)C 62a_200000036245_100011218270 [0,2,0,0,0,0|2,0,0]=4 16219 B12R0.150 COC(=O)CCCSC[Si](C)(C)C 62a_100000037933_100011218270 [0,2,0,0,0,0|1,1,0]=4 16220 B12R0.150 COC(=O)CCCSC[Si](C)(C)C 62a_100011218270_100000037933 [0,2,0,0,0,0|1,1,0]=4 16221 B12R0.150 COC(=O)CCNCCC(C)(C)C 2230a_100000738805_100000204255 [0,2,0,0,0,0|1,0,0]=3 16222 B12R0.150 COC(=O)CCNCCC(C)(C)F 2230a_100016253952_100000204255 [0,2,0,0,0,0|1,0,0]=3 16223 B12R0.150 COC(=O)CCNCCC(F)(F)F 2230a_100000740434_100000204255 [0,2,0,0,0,0|2,0,0]=4 16224 B12R0.150 COC(=O)CCNCCC(F)(F)F 34a_100000740434_100000742370 [0,2,0,0,0,0|2,0,0]=4 16225 B12R0.150 COC(=O)CCNCCS(=O)(=O)C 2230a_100000740961_100000204255 [0,2,0,0,0,0|2,0,0]=4 16226 B12R0.150 COC(=O)CCNCCS(=O)(=O)C 34a_100000740961_100000742370 [0,2,0,0,0,0|2,0,0]=4 16227 B12R0.150 COC(=O)CCOCCC(C)(C)C 7a_100000765024_100000204255 [0,2,0,0,0,0|1,0,0]=3 16228 B12R0.150 COC(=O)CCOCCC(F)(F)F 34a_100000752437_100000742370 [0,2,0,0,0,0|2,0,0]=4 16229 B12R0.150 COC(=O)CCOCCS(=O)(=O)C 34a_100000211924_100000742370 [0,2,0,0,0,0|2,0,0]=4 16230 B12R0.150 COC(=O)CCOCCS(=O)(=O)C 7a_100000211924_100000204255 [0,2,0,0,0,0|2,0,0]=4 16231 B12R0.150 COC(=O)CCOCC[N+](C)(C)C 7a_200020618287_100000204255 [0,2,0,0,0,0|2,0,0]=4 16232 B12R0.150 COC(=O)CCOCC[Si](C)(C)C 7a_100000039746_100000204255 [0,2,0,0,0,0|1,1,0]=4 16233 B12R0.150 COC(=O)CCSCCC(C)(C)C 62a_100000204255_100000755188 [0,2,0,0,0,0|1,0,0]=3 16234 B12R0.150 COC(=O)CCSCCC(C)(C)C 62a_100000755188_100000204255 [0,2,0,0,0,0|1,0,0]=3 16235 B12R0.150 COC(=O)CCSCCC(C)(C)O 62a_100000204255_100000702414 [0,2,0,0,0,0|1,0,0]=3 16236 B12R0.150 COC(=O)CCSCCC(C)(C)O 62a_100000702414_100000204255 [0,2,0,0,0,0|1,0,0]=3 16237 B12R0.150 COC(=O)CCSCCC(F)(F)F 62a_100000204255_100011219754 [0,2,0,0,0,0|2,0,0]=4 16238 B12R0.150 COC(=O)CCSCCC(F)(F)F 62a_100011219754_100000204255 [0,2,0,0,0,0|2,0,0]=4 16239 B12R0.150 COC(=O)CCSCCS(=O)(=O)C 62a_100000204255_100000230027 [0,2,0,0,0,0|2,0,0]=4 16240 B12R0.150 COC(=O)CCSCCS(=O)(=O)C 62a_100000731031_100000204255 [0,2,0,0,0,0|2,0,0]=4 16241 B12R0.150 COC(=O)CCSCC[N+](C)(C)C 62a_100000085578_100000204255 [0,2,0,0,0,0|2,0,0]=4 16242 B12R0.150 COC(=O)CCSCC[N+](C)(C)C 62a_100000204255_100000085578 [0,2,0,0,0,0|2,0,0]=4 16243 B12R0.150 COC(=O)CCSCC[Si](C)(C)C 62a_100000204255_200000733723 [0,2,0,0,0,0|1,1,0]=4 16244 B12R0.150 COC(=O)CCSCC[Si](C)(C)C 62a_200000733723_100000204255 [0,2,0,0,0,0|1,1,0]=4 16245 B12R0.150 COC(=O)CNCCCC(F)(F)F 2230a_100000727188_100000747449 [0,2,0,0,0,0|2,0,0]=4 16246 B12R0.150 COC(=O)CNCCCC(F)(F)F 34a_100000727188_100000747449 [0,2,0,0,0,0|2,0,0]=4 16247 B12R0.150 COC(=O)CNCCCS(=O)(=O)C 2230a_100000742409_100000747449 [0,2,0,0,0,0|2,0,0]=4 16248 B12R0.150 COC(=O)CNCCCS(=O)(=O)C 34a_100000742409_100000747449 [0,2,0,0,0,0|2,0,0]=4 16249 B12R0.150 COC(=O)CNCCOC(C)(C)C 2230a_100000747557_100000747449 [0,2,0,0,0,0|2,0,0]=4 16250 B12R0.150 COC(=O)CNCCSC(C)(C)C 2230a_100000689375_100000747449 [0,2,0,0,0,0|2,0,0]=4 16251 B12R0.150 COC(=O)COCCCC(F)(F)F 34a_100000749235_100000747449 [0,2,0,0,0,0|2,0,0]=4 16252 B12R0.150 COC(=O)COCCCS(=O)(=O)C 34a_100000689940_100000747449 [0,2,0,0,0,0|2,0,0]=4 16253 B12R0.150 COC(=O)COCCCS(=O)(=O)C 7a_100000689940_100000747449 [0,2,0,0,0,0|2,0,0]=4 16254 B12R0.150 COC(=O)COCCC[Si](C)(C)C 7a_200011215415_100000747449 [0,2,0,0,0,0|1,1,0]=4 16255 B12R0.150 COC(=O)COCCNC(C)(C)C 2230a_100000715429_100000090808 [0,2,0,0,0,0|2,0,0]=4 16256 B12R0.150 COC(=O)COCCOC(C)(C)C 34a_100000693234_100000747449 [0,2,0,0,0,0|2,0,0]=4 16257 B12R0.150 COC(=O)COCCOC(C)(C)C 34a_100015890283_100000090808 [0,2,0,0,0,0|2,0,0]=4 16258 B12R0.150 COC(=O)COCCOC(C)(C)C 7a_100000693234_100000747449 [0,2,0,0,0,0|2,0,0]=4 16259 B12R0.150 COC(=O)COCCOC(C)(C)C 7a_100015890283_100000090808 [0,2,0,0,0,0|2,0,0]=4 16260 B12R0.150 COC(=O)COCCSC(C)(C)C 62a_100000090808_100000211941 [0,2,0,0,0,0|2,0,0]=4 16261 B12R0.150 COC(=O)COCCSC(C)(C)C 62a_100000211941_100000090808 [0,2,0,0,0,0|2,0,0]=4 16262 B12R0.150 COC(=O)CSCCCC(C)(C)O 62a_100000747449_100009888830 [0,2,0,0,0,0|1,0,0]=3 16263 B12R0.150 COC(=O)CSCCCC(C)(C)O 62a_100009888830_100000747449 [0,2,0,0,0,0|1,0,0]=3 16264 B12R0.150 COC(=O)CSCCCC(F)(F)F 62a_100000747449_100011216173 [0,2,0,0,0,0|2,0,0]=4 16265 B12R0.150 COC(=O)CSCCCC(F)(F)F 62a_100011216173_100000747449 [0,2,0,0,0,0|2,0,0]=4 16266 B12R0.150 COC(=O)CSCCCS(=O)(=O)C 62a_100000747449_100000754308 [0,2,0,0,0,0|2,0,0]=4 16267 B12R0.150 COC(=O)CSCCCS(=O)(=O)C 62a_100000754308_100000747449 [0,2,0,0,0,0|2,0,0]=4 16268 B12R0.150 COC(=O)CSCCC[N+](C)(C)C 62a_100000747449_100016990835 [0,2,0,0,0,0|2,0,0]=4 16269 B12R0.150 COC(=O)CSCCC[N+](C)(C)C 62a_100016990835_100000747449 [0,2,0,0,0,0|2,0,0]=4 16270 B12R0.150 COC(=O)CSCCC[Si](C)(C)C 62a_100000747449_100011219597 [0,2,0,0,0,0|1,1,0]=4 16271 B12R0.150 COC(=O)CSCCC[Si](C)(C)C 62a_100011219597_100000747449 [0,2,0,0,0,0|1,1,0]=4 16272 B12R0.150 COC(=O)NCCOCC(C)(C)C 34a_100000757965_100011219605 [0,2,0,0,0,0|2,0,0]=4 16273 B12R0.150 COC(=O)NCCOCC(C)(C)F 34a_100000757965_100011997219 [0,2,0,0,0,0|2,0,0]=4 16274 B12R0.150 COC(=O)NCCOCC(C)(C)O 34a_100000757965_100000764493 [0,2,0,0,0,0|2,0,0]=4 16275 B12R0.150 COC(=O)OCCOCC(C)(C)C 34a_100010262106_100011219605 [0,2,0,0,0,0|2,0,0]=4 16276 B12R0.150 COC(=O)OCCOCC(C)(C)F 34a_100010262106_100011997219 [0,2,0,0,0,0|2,0,0]=4 16277 B12R0.150 COC(=O)OCCOCC(C)(C)O 34a_100010262106_100000764493 [0,2,0,0,0,0|2,0,0]=4 16278 B12R0.150 COC(=O)OCSCCC(C)(C)C 62a_100000755188_100000139417 [0,2,0,0,0,0|2,0,0]=4 16279 B12R0.150 COC(=O)OCSCCC(C)(C)O 62a_100000702414_100000139417 [0,2,0,0,0,0|2,0,0]=4 16280 B12R0.240 C=C(C)CCOC(C)CC(=O)OC 34a_100000764851_100009817358 [0,2,0,0,0,0|1,0,1]=4 16281 B12R0.240 C=C(C)CCSC(C)CC(=O)OC 62a_100000730704_100009817358 [0,2,0,0,0,0|1,0,1]=4 16282 B12R0.240 C=C(C)CCSC(C)CC(=O)OC 62a_100009817358_100000730704 [0,2,0,0,0,0|1,0,1]=4 16283 B12R0.240 C=C(C)COC[C@H](O)CC(=O)OC 34a_100000210245_100000754131 [0,2,0,0,0,0|1,0,1]=4 16284 B12R0.240 C=C(C)CSC[C@H](O)CC(=O)OC 62a_100000748629_100000754131 [0,2,0,0,0,0|1,0,1]=4 16285 B12R0.240 C=C(C)CSC[C@H](O)CC(=O)OC 62a_100000754131_100000211660 [0,2,0,0,0,0|1,0,1]=4 16286 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [0,2,0,0,0,0|1,0,1]=4 16287 B12R0.240 CCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000210414 [0,2,0,0,0,0|2,0,0]=4 16288 B12R0.240 CCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000210414 [0,2,0,0,0,0|2,0,0]=4 16289 B12R0.240 CCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000210414 [0,2,0,0,0,0|2,0,0]=4 16290 B12R0.240 CCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000210414 [0,2,0,0,0,0|2,0,0]=4 16291 B12R0.240 CNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183359 [0,2,0,0,0,0|1,0,1]=4 16292 B12R0.240 CNC(=O)CN(C)CCCC(C)C 2230a_100000189611_100011214892 [0,2,0,0,0,0|2,0,0]=4 16293 B12R0.240 CNC(=O)CN(C)CCCC(C)O 2230a_100000189611_200000718107 [0,2,0,0,0,0|2,0,0]=4 16294 B12R0.240 CNC(=O)NC(C)CCCC(C)C 2708a_100000210607_106832991635 [0,2,0,0,0,0|2,0,0]=4 16295 B12R0.240 CNC(=O)NC(C)CCCC(C)C 2708a_100102657272_100000210607 [0,2,0,0,0,0|2,0,0]=4 16296 B12R0.240 CNC(=O)NC(C)CCCC(C)C 273464a_100000210607_100102657272 [0,2,0,0,0,0|2,0,0]=4 16297 B12R0.240 CNC(=O)NC(C)CCCC(C)C 512a_100000210607_100102657272 [0,2,0,0,0,0|2,0,0]=4 16298 B12R0.240 CNC(=O)NC(C)CCCC(C)C 512a_106832991638_100000210607 [0,2,0,0,0,0|2,0,0]=4 16299 B12R0.240 COC(=O)CC(=O)CCCC(=O)C 1458a_100000211351_100011215641 [0,2,0,0,0,0|0,0,2]=4 16300 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100000211351_100011214892 [0,2,0,0,0,0|0,0,1]=3 16301 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747449 [0,2,0,0,0,0|0,0,1]=3 16302 B12R0.240 COC(=O)CC(=O)CCCC(C)O 1458a_100000211351_200000718107 [0,2,0,0,0,0|0,0,1]=3 16303 B12R0.240 COC(=O)CC(=O)CCCN(C)C 1458a_100000211351_100000695564 [0,2,0,0,0,0|1,0,1]=4 16304 B12R0.240 COC(=O)CC(=O)CCOC(C)C 1458a_100000211351_100000211751 [0,2,0,0,0,0|1,0,1]=4 16305 B12R0.240 COC(=O)CC(=O)CCSC(C)C 1458a_100000211351_100000730970 [0,2,0,0,0,0|1,0,1]=4 16306 B12R0.240 COC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747449 [0,2,0,0,0,0|1,0,1]=4 16307 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210525_100000210760 [0,2,0,0,0,0|1,0,1]=4 16308 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210525 [0,2,0,0,0,0|1,0,1]=4 16309 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100000210525_100011218427 [0,2,0,0,0,0|1,0,1]=4 16310 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210525 [0,2,0,0,0,0|1,0,1]=4 16311 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210525_100009817552 [0,2,0,0,0,0|1,0,1]=4 16312 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210525 [0,2,0,0,0,0|1,0,1]=4 16313 B12R0.240 COC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000211351 [0,2,0,0,0,0|1,0,1]=4 16314 B12R0.240 COC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000211351 [0,2,0,0,0,0|1,0,1]=4 16315 B12R0.240 COC(=O)CC(C)NCCC(C)O 2230a_200000755665_100009817358 [0,2,0,0,0,0|1,0,0]=3 16316 B12R0.240 COC(=O)CC(C)OCCC(=O)C 34a_100000759926_100009817358 [0,2,0,0,0,0|1,0,1]=4 16317 B12R0.240 COC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817358 [0,2,0,0,0,0|1,0,1]=4 16318 B12R0.240 COC(=O)CC(C)OCCC(C)Br 34a_100009893172_100009817358 [0,2,0,0,0,0|1,0,0]=3 16319 B12R0.240 COC(=O)CC(C)OCCC(C)C 34a_100000210254_100009817358 [0,2,0,0,0,0|1,0,0]=3 16320 B12R0.240 COC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817358 [0,2,0,0,0,0|1,0,0]=3 16321 B12R0.240 COC(=O)CC(C)OCCC(F)F 34a_100103093639_100009817358 [0,2,0,0,0,0|2,0,0]=4 16322 B12R0.240 COC(=O)CC(C)OCC[C@@H](C)N 34a_100000706166_100009817358 [0,2,0,0,0,0|1,0,0]=3 16323 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100000053229_100009817358 [0,2,0,0,0,0|1,0,1]=4 16324 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100009817358_100000053229 [0,2,0,0,0,0|1,0,1]=4 16325 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817358 [0,2,0,0,0,0|1,0,0]=3 16326 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100009817358_100000210312 [0,2,0,0,0,0|1,0,0]=3 16327 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100009817358_100012276601 [0,2,0,0,0,0|1,0,0]=3 16328 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817358 [0,2,0,0,0,0|1,0,0]=3 16329 B12R0.240 COC(=O)CC(C)SCCN(C)C 62a_100009817358_100000755713 [0,2,0,0,0,0|2,0,0]=4 16330 B12R0.240 COC(=O)CC(C)SCOC(C)C 62a_100000709892_100009817358 [0,2,0,0,0,0|2,0,0]=4 16331 B12R0.240 COC(=O)CC(C)SCOC(C)C 62a_100009817358_100000709892 [0,2,0,0,0,0|2,0,0]=4 16332 B12R0.240 COC(=O)CN(C)CCCC(C)C 2230a_100000198492_100011214892 [0,2,0,0,0,0|1,0,0]=3 16333 B12R0.240 COC(=O)CN(C)CCCC(C)O 2230a_100000198492_200000718107 [0,2,0,0,0,0|1,0,0]=3 16334 B12R0.240 COC(=O)CN(C)CCCN(C)C 269982a_100000225831_100000747449 [0,2,0,0,0,0|2,0,0]=4 16335 B12R0.240 COC(=O)CN(C)CCOC(C)C 2230a_100000198492_100000211751 [0,2,0,0,0,0|2,0,0]=4 16336 B12R0.240 COC(=O)CN(C)CCSC(C)C 2230a_100000198492_100000730970 [0,2,0,0,0,0|2,0,0]=4 16337 B12R0.240 COC(=O)C[C@@H](O)CNCC(C)C 34a_100000210953_100000754131 [0,2,0,0,0,0|1,0,0]=3 16338 B12R0.240 COC(=O)C[C@@H](O)CNCC(C)O 34a_100000210904_100000754131 [0,2,0,0,0,0|1,0,0]=3 16339 B12R0.240 COC(=O)C[C@@H](O)CNCC(F)F 34a_100000765723_100000754131 [0,2,0,0,0,0|2,0,0]=4 16340 B12R0.240 COC(=O)C[C@@H](O)COCC(=O)C 34a_100000211253_100000754131 [0,2,0,0,0,0|1,0,1]=4 16341 B12R0.240 COC(=O)C[C@@H](O)COCC(C)Br 34a_100012180447_100000754131 [0,2,0,0,0,0|1,0,0]=3 16342 B12R0.240 COC(=O)C[C@@H](O)COCC(C)C 34a_100000210257_100000754131 [0,2,0,0,0,0|1,0,0]=3 16343 B12R0.240 COC(=O)C[C@@H](O)COCC(C)F 34a_100015925927_100000754131 [0,2,0,0,0,0|1,0,0]=3 16344 B12R0.240 COC(=O)C[C@@H](O)COCC(F)F 34a_100000743014_100000754131 [0,2,0,0,0,0|2,0,0]=4 16345 B12R0.240 COC(=O)C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100000754131 [0,2,0,0,0,0|1,0,0]=3 16346 B12R0.240 COC(=O)C[C@@H](O)COC[C@@H](C)N 34a_100000737577_100000754131 [0,2,0,0,0,0|1,0,0]=3 16347 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)C 62a_100000210624_100000754131 [0,2,0,0,0,0|1,0,0]=3 16348 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)C 62a_100000754131_100000210760 [0,2,0,0,0,0|1,0,0]=3 16349 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)O 62a_100000754131_100011218427 [0,2,0,0,0,0|1,0,0]=3 16350 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)O 62a_100011218427_100000754131 [0,2,0,0,0,0|1,0,0]=3 16351 B12R0.240 COC(=O)C[C@@H](O)CSCC(F)F 62a_100000754131_100011934356 [0,2,0,0,0,0|2,0,0]=4 16352 B12R0.240 COC(=O)C[C@@H](O)CSCC(F)F 62a_100011934356_100000754131 [0,2,0,0,0,0|2,0,0]=4 16353 B12R0.240 COC(=O)C[C@@H](O)CSC[C@@H](C)O 62a_100000754131_100009817552 [0,2,0,0,0,0|1,0,0]=3 16354 B12R0.240 COC(=O)C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100000754131 [0,2,0,0,0,0|1,0,0]=3 16355 B12R0.241 C=C(C)CC(=O)CCCC(=O)OC 1458a_100000239890_100000748629 [0,2,0,0,0,0|0,0,2]=4 16356 B12R0.241 C=C(C)CN(C)CCCC(=O)OC 2230a_100000225649_100011218270 [0,2,0,0,0,0|1,0,1]=4 16357 B12R0.241 C=C(C)CN(C)CCCC(=O)OC 269982a_100000225649_100011218270 [0,2,0,0,0,0|1,0,1]=4 16358 B12R0.241 C=C(C)CN(C)CCCC(=O)OC 269982a_100000739225_100000748629 [0,2,0,0,0,0|1,0,1]=4 16359 B12R0.241 CNC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100000741757 [0,2,0,0,0,0|1,0,1]=4 16360 B12R0.241 CNC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000741757 [0,2,0,0,0,0|1,0,1]=4 16361 B12R0.241 CNC(=O)CCCN(C)CC(C)C 2230a_100000747067_100000741757 [0,2,0,0,0,0|2,0,0]=4 16362 B12R0.241 CNC(=O)CCCN(C)CC(C)C 269982a_100000747067_100000741757 [0,2,0,0,0,0|2,0,0]=4 16363 B12R0.241 CNC(=O)CCCN(C)CC(C)O 2230a_100000227577_100000741757 [0,2,0,0,0,0|2,0,0]=4 16364 B12R0.241 CNC(=O)CCCN(C)CC(C)O 269982a_100000227577_100000741757 [0,2,0,0,0,0|2,0,0]=4 16365 B12R0.241 CNC(=O)CCNC(C)CC(C)C 2230a_100000692259_100000737683 [0,2,0,0,0,0|2,0,0]=4 16366 B12R0.241 CNC(=O)CCNC(C)CC(C)C 2230a_100000738227_100000731052 [0,2,0,0,0,0|2,0,0]=4 16367 B12R0.241 CNC(=O)CCNC(C)CC(C)C 34a_100000738227_100000731052 [0,2,0,0,0,0|2,0,0]=4 16368 B12R0.241 CNC(=O)CCOC(C)CC(C)C 34a_100000211805_100012179268 [0,2,0,0,0,0|2,0,0]=4 16369 B12R0.241 CNC(=O)CCOC(C)CC(C)C 34a_100000754576_100000731052 [0,2,0,0,0,0|2,0,0]=4 16370 B12R0.241 CNC(=O)CCOC(C)CC(C)C 7a_100000211805_100000737683 [0,2,0,0,0,0|2,0,0]=4 16371 B12R0.241 CNC(=O)CCSC(C)CC(C)C 62a_100000731052_100000737683 [0,2,0,0,0,0|2,0,0]=4 16372 B12R0.241 CNC(=O)CCSC(C)CC(C)C 62a_100000737683_100000731052 [0,2,0,0,0,0|2,0,0]=4 16373 B12R0.241 CNC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000183359 [0,2,0,0,0,0|2,0,0]=4 16374 B12R0.241 COC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011218270 [0,2,0,0,0,0|0,0,1]=3 16375 B12R0.241 COC(=O)CCCC(=O)CC(C)C 1458a_100000239890_100000210624 [0,2,0,0,0,0|0,0,1]=3 16376 B12R0.241 COC(=O)CCCC(=O)CC(C)O 1458a_100000239890_100011218427 [0,2,0,0,0,0|0,0,1]=3 16377 B12R0.241 COC(=O)CCCC(=O)CC(F)F 1458a_100000239890_100011934356 [0,2,0,0,0,0|1,0,1]=4 16378 B12R0.241 COC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100011218270 [0,2,0,0,0,0|1,0,1]=4 16379 B12R0.241 COC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011218270 [0,2,0,0,0,0|0,0,1]=3 16380 B12R0.241 COC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100011218270 [0,2,0,0,0,0|1,0,1]=4 16381 B12R0.241 COC(=O)CCCC(=O)NC(C)C 11a_100138425928_100000239890 [0,2,0,0,0,0|1,0,1]=4 16382 B12R0.241 COC(=O)CCCC(=O)NC(C)C 1626a_100138425928_100000239890 [0,2,0,0,0,0|1,0,1]=4 16383 B12R0.241 COC(=O)CCCC(=O)NC(C)C 240690a_100138425928_100000239890 [0,2,0,0,0,0|1,0,1]=4 16384 B12R0.241 COC(=O)CCCC(=O)NC(C)C 527a_100138425928_100000239890 [0,2,0,0,0,0|1,0,1]=4 16385 B12R0.241 COC(=O)CCCN(C)CC(C)C 2230a_100000747067_100011218270 [0,2,0,0,0,0|1,0,0]=3 16386 B12R0.241 COC(=O)CCCN(C)CC(C)C 269982a_100000739225_100000210624 [0,2,0,0,0,0|1,0,0]=3 16387 B12R0.241 COC(=O)CCCN(C)CC(C)C 269982a_100000747067_100011218270 [0,2,0,0,0,0|1,0,0]=3 16388 B12R0.241 COC(=O)CCCN(C)CC(C)O 2230a_100000227577_100011218270 [0,2,0,0,0,0|1,0,0]=3 16389 B12R0.241 COC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011218270 [0,2,0,0,0,0|1,0,0]=3 16390 B12R0.241 COC(=O)CCCN(C)CC(C)O 269982a_100000739225_100011218427 [0,2,0,0,0,0|1,0,0]=3 16391 B12R0.241 COC(=O)CCCN(C)CC(F)F 269982a_100000739225_100011934356 [0,2,0,0,0,0|2,0,0]=4 16392 B12R0.241 COC(=O)CCCN(C)C[C@@H](C)O 269982a_100000739225_100009817552 [0,2,0,0,0,0|1,0,0]=3 16393 B12R0.241 COC(=O)CCNC(=O)CC(C)C 188690a_100000683876_100000210554 [0,2,0,0,0,0|1,0,1]=4 16394 B12R0.241 COC(=O)CCNC(=O)C[C@@H](C)O 188690a_100000683876_100011933948 [0,2,0,0,0,0|1,0,1]=4 16395 B12R0.241 COC(=O)CCNC(C)CC(C)C 2230a_100000692259_100000204255 [0,2,0,0,0,0|1,0,0]=3 16396 B12R0.241 COC(=O)CCOC(C)CC(C)C 34a_100000211805_100000742370 [0,2,0,0,0,0|1,0,0]=3 16397 B12R0.241 COC(=O)CCOC(C)CC(C)C 7a_100000211805_100000204255 [0,2,0,0,0,0|1,0,0]=3 16398 B12R0.241 COC(=O)CCSC(C)CC(C)C 62a_100000204255_100000731052 [0,2,0,0,0,0|1,0,0]=3 16399 B12R0.241 COC(=O)CCSC(C)CC(C)C 62a_100000731052_100000204255 [0,2,0,0,0,0|1,0,0]=3 16400 B12R0.241 COC(=O)CCSC(C)CN(C)C 62a_100000204255_100020606517 [0,2,0,0,0,0|2,0,0]=4 16401 B12R0.241 COC(=O)CCSC(C)CN(C)C 62a_100020606517_100000204255 [0,2,0,0,0,0|2,0,0]=4 16402 B12R0.241 COC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000747449 [0,2,0,0,0,0|1,0,0]=3 16403 B12R0.241 COC(=O)CSCC(=O)CC(C)C 1458a_100000191316_100000210624 [0,2,0,0,0,0|1,0,1]=4 16404 B12R0.241 COC(=O)CSCC(=O)CC(C)O 1458a_100000191316_100011218427 [0,2,0,0,0,0|1,0,1]=4 16405 B12R0.241 COC(=O)CSCC(C)CN(C)C 62a_100000747449_100015348159 [0,2,0,0,0,0|2,0,0]=4 16406 B12R0.241 COC(=O)CSCC(C)CN(C)C 62a_100015348159_100000747449 [0,2,0,0,0,0|2,0,0]=4 16407 B12R0.241 COC(=O)OCSC(C)CC(C)C 62a_100000731052_100000139417 [0,2,0,0,0,0|2,0,0]=4 16408 B12R0.79 C=C(COC(C)CCC)C(=O)OC 34a_100000764384_100009813391 [0,2,0,0,0,0|1,0,1]=4 16409 B12R0.79 C=C(CSC(C)CCC)C(=O)OC 62a_100000766640_100009813391 [0,2,0,0,0,0|1,0,1]=4 16410 B12R0.79 C=C(CSC(C)CCC)C(=O)OC 62a_100009813391_100000766640 [0,2,0,0,0,0|1,0,1]=4 16411 B12R0.79 CCCC(=O)CCC(C)C(=O)OC 1458a_100000211992_100000034942 [0,2,0,0,0,0|0,0,1]=3 16412 B12R0.79 CCCC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747444 [0,2,0,0,0,0|1,0,1]=4 16413 B12R0.79 CCCC(=O)CSC(C)C(=O)OC 62a_100000747444_100000211248 [0,2,0,0,0,0|1,0,1]=4 16414 B12R0.79 CCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000211992 [0,2,0,0,0,0|1,0,1]=4 16415 B12R0.79 CCCC(C)CN[C@H](C)C(=O)NC 2230a_100000684985_100011216630 [0,2,0,0,0,0|2,0,0]=4 16416 B12R0.79 CCCC(C)CN[C@H](C)C(=O)NC 34a_100000684985_100011216630 [0,2,0,0,0,0|2,0,0]=4 16417 B12R0.79 CCCC(C)COC(C)C(=O)CC 7a_100000688023_100000742827 [0,2,0,0,0,0|2,0,0]=4 16418 B12R0.79 CCCC(C)COC(C)C(=O)NC 34a_100000688023_100000731044 [0,2,0,0,0,0|2,0,0]=4 16419 B12R0.79 CCCC(C)COC(C)C(=O)NC 7a_100000688023_100000209862 [0,2,0,0,0,0|2,0,0]=4 16420 B12R0.79 CCCC(C)COC(C)C(=O)OC 34a_100000688023_100000211248 [0,2,0,0,0,0|1,0,0]=3 16421 B12R0.79 CCCC(C)COC(C)C(=O)OC 34a_100011215400_100011216630 [0,2,0,0,0,0|1,0,0]=3 16422 B12R0.79 CCCC(C)COC(C)C(=O)OC 7a_100000688023_100000211248 [0,2,0,0,0,0|1,0,0]=3 16423 B12R0.79 CCCC(C)COC(F)C(=O)NC 34a_100000688023_100009813575 [0,2,0,0,0,0|2,0,0]=4 16424 B12R0.79 CCCC(C)COC(F)C(=O)NC 7a_100000688023_100009813575 [0,2,0,0,0,0|2,0,0]=4 16425 B12R0.79 CCCC(C)CSC(C)C(=O)CC 62a_100000742827_100011216630 [0,2,0,0,0,0|2,0,0]=4 16426 B12R0.79 CCCC(C)CSC(C)C(=O)CC 62a_100011216630_100000742827 [0,2,0,0,0,0|2,0,0]=4 16427 B12R0.79 CCCC(C)CSC(C)C(=O)NC 62a_100000209862_100011216630 [0,2,0,0,0,0|2,0,0]=4 16428 B12R0.79 CCCC(C)CSC(C)C(=O)NC 62a_100011216630_100000731044 [0,2,0,0,0,0|2,0,0]=4 16429 B12R0.79 CCCC(C)CSC(C)C(=O)OC 62a_100000211248_100011216630 [0,2,0,0,0,0|1,0,0]=3 16430 B12R0.79 CCCC(C)CSC(C)C(=O)OC 62a_100011216630_100000211248 [0,2,0,0,0,0|1,0,0]=3 16431 B12R0.79 CCCC(C)CSC(F)C(=O)NC 62a_100009813575_100011216630 [0,2,0,0,0,0|2,0,0]=4 16432 B12R0.79 CCCC(C)CSC(F)C(=O)NC 62a_100011216630_100009813575 [0,2,0,0,0,0|2,0,0]=4 16433 B12R0.79 CCCC(C)NCC(C)C(=O)NC 2230a_100015187722_100000766640 [0,2,0,0,0,0|2,0,0]=4 16434 B12R0.79 CCCC(C)NCC(C)C(=O)NC 270004a_100015187722_100000211909 [0,2,0,0,0,0|2,0,0]=4 16435 B12R0.79 CCCC(C)NCC(C)C(=O)NC 34a_100015187722_100000766640 [0,2,0,0,0,0|2,0,0]=4 16436 B12R0.79 CCCC(C)OCC(=O)C(=O)OC 34a_100000764384_100011610305 [0,2,0,0,0,0|1,0,1]=4 16437 B12R0.79 CCCC(C)OCC(C)C(=O)OC 34a_100000749362_100000766640 [0,2,0,0,0,0|1,0,0]=3 16438 B12R0.79 CCCC(C)OCC(C)C(=O)OC 34a_100000764384_100000698445 [0,2,0,0,0,0|1,0,0]=3 16439 B12R0.79 CCCC(C)OCC(C)C(=O)OC 7a_100000749362_100000766640 [0,2,0,0,0,0|1,0,0]=3 16440 B12R0.79 CCCC(C)OCC(F)C(=O)OC 34a_200009849844_100000766640 [0,2,0,0,0,0|1,0,0]=3 16441 B12R0.79 CCCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100000766640 [0,2,0,0,0,0|1,0,0]=3 16442 B12R0.79 CCCC(C)SCC(=O)C(=O)OC 62a_100000766640_100011610305 [0,2,0,0,0,0|1,0,1]=4 16443 B12R0.79 CCCC(C)SCC(=O)C(=O)OC 62a_100011610305_100000766640 [0,2,0,0,0,0|1,0,1]=4 16444 B12R0.79 CCCC(C)SCC(C)C(=O)OC 62a_100000698445_100000766640 [0,2,0,0,0,0|1,0,0]=3 16445 B12R0.79 CCCC(C)SCC(C)C(=O)OC 62a_100000766640_100000698445 [0,2,0,0,0,0|1,0,0]=3 16446 B12R0.79 CCCN(C)CCC(C)C(=O)OC 2230a_100000747261_100000034942 [0,2,0,0,0,0|1,0,0]=3 16447 B12R0.79 CCCN(C)CCC(C)C(=O)OC 269982a_100000747261_100000034942 [0,2,0,0,0,0|1,0,0]=3 16448 B12R0.79 CCC[C@H](N)COC(C)C(=O)NC 34a_100000732646_100000731044 [0,2,0,0,0,0|2,0,0]=4 16449 B12R0.79 CCC[C@H](N)COC(C)C(=O)OC 34a_100000732646_100000211248 [0,2,0,0,0,0|1,0,0]=3 16450 B12R0.79 CCC[C@H](N)COC(F)C(=O)NC 34a_100000732646_100009813575 [0,2,0,0,0,0|2,0,0]=4 16451 B12R0.79 COC(=O)C(C)CCC(=O)CCO 1458a_100011216618_100000034942 [0,2,0,0,0,0|1,0,1]=4 16452 B12R0.79 COC(=O)C(C)CCC(=O)CSC 1458a_100000184570_100000034942 [0,2,0,0,0,0|1,0,1]=4 16453 B12R0.79 COC(=O)C(C)CCN(C)CCO 2230a_100000210263_100000034942 [0,2,0,0,0,0|2,0,0]=4 16454 B12R0.79 COC(=O)C(C)CCN(C)CCO 269982a_100000210263_100000034942 [0,2,0,0,0,0|2,0,0]=4 16455 B12R0.79 COC(=O)C(C)CN[C@H](C)CCO 34a_100000706166_100000698445 [0,2,0,0,0,0|2,0,0]=4 16456 B12R0.79 COC(=O)C(C)COC(C)CCBr 34a_100012276601_100000698445 [0,2,0,0,0,0|2,0,0]=4 16457 B12R0.79 COC(=O)C(C)COC(C)CCO 34a_100000749362_100009893172 [0,2,0,0,0,0|2,0,0]=4 16458 B12R0.79 COC(=O)C(C)COC(C)CCO 7a_100000749362_100009893172 [0,2,0,0,0,0|2,0,0]=4 16459 B12R0.79 COC(=O)C(C)CSC(C)CCO 62a_100000698445_100009893172 [0,2,0,0,0,0|2,0,0]=4 16460 B12R0.79 COC(=O)C(C)CSC(C)CCO 62a_100009893172_100000698445 [0,2,0,0,0,0|2,0,0]=4 16461 B12R0.79 COC(=O)C(C)OCC(C)CCN 34a_106354213184_100000211248 [0,2,0,0,0,0|2,0,0]=4 16462 B12R0.79 COC(=O)C(F)COC(C)CCO 34a_200009849844_100009893172 [0,2,0,0,0,0|2,0,0]=4 16463 B12R0.79 COC(=O)[C@H](N)COC(C)CCO 34a_100000003586_100009893172 [0,2,0,0,0,0|2,0,0]=4 16464 B12R0.79 COCC(=O)CCC(C)C(=O)OC 1458a_100000210968_100000034942 [0,2,0,0,0,0|1,0,1]=4 16465 B12R0.79 COCC(C)OCC(C)C(=O)OC 34a_100000749362_100000765312 [0,2,0,0,0,0|2,0,0]=4 16466 B12R0.79 COCC(C)OCC(C)C(=O)OC 7a_100000749362_100000765312 [0,2,0,0,0,0|2,0,0]=4 16467 B12R0.79 COCC(C)OCC(F)C(=O)OC 34a_200009849844_100000765312 [0,2,0,0,0,0|2,0,0]=4 16468 B12R0.79 COCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100000765312 [0,2,0,0,0,0|2,0,0]=4 16469 B12R0.79 COCC(C)SCC(C)C(=O)OC 62a_100000698445_100000765312 [0,2,0,0,0,0|2,0,0]=4 16470 B12R0.79 COCC(C)SCC(C)C(=O)OC 62a_100000765312_100000698445 [0,2,0,0,0,0|2,0,0]=4 16471 B12R0.79 COCC(N)COC(C)C(=O)OC 34a_100000724102_100000211248 [0,2,0,0,0,0|2,0,0]=4 16472 B12R0.79 COCC(O)CNC(C)C(=O)OC 2230a_100000756049_100000211248 [0,2,0,0,0,0|2,0,0]=4 16473 B12R0.79 COCC(O)CNC(C)C(=O)OC 34a_100000756049_100000211248 [0,2,0,0,0,0|2,0,0]=4 16474 B12R0.79 COCC(O)COC(C)C(=O)OC 34a_100011215400_100011215053 [0,2,0,0,0,0|2,0,0]=4 16475 B12R0.79 COCC(O)CSC(C)C(=O)OC 62a_100000211248_100011215053 [0,2,0,0,0,0|2,0,0]=4 16476 B12R0.79 COCC(O)CSC(C)C(=O)OC 62a_100011215053_100000211248 [0,2,0,0,0,0|2,0,0]=4 16477 B12R0.79 COC[C@@H](C)OCC(C)C(=O)OC 34a_100011934205_100000698445 [0,2,0,0,0,0|2,0,0]=4 16478 B12R0.110 CCCCCC(=O)C(C)C(=O)CC 1458a_100000212188_100000742827 [0,2,0,0,0,0|1,0,1]=4 16479 B12R0.110 CCCCCC(=O)C(C)C(=O)NC 1458a_100000212188_100000209862 [0,2,0,0,0,0|1,0,1]=4 16480 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100000212188_100000211248 [0,2,0,0,0,0|0,0,1]=3 16481 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210326 [0,2,0,0,0,0|0,0,1]=3 16482 B12R0.110 CCCCCC(=O)C(F)C(=O)NC 1458a_100000212188_100009813575 [0,2,0,0,0,0|1,0,1]=4 16483 B12R0.110 CCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011218191 [0,2,0,0,0,0|1,0,1]=4 16484 B12R0.110 CCCCCN(C)C(=O)C(=O)OC 11a_100000223495_100000024059 [0,2,0,0,0,0|1,0,1]=4 16485 B12R0.110 CCCCCN(C)C(=O)C(=O)OC 1626a_100000223495_100000024059 [0,2,0,0,0,0|1,0,1]=4 16486 B12R0.110 CCCCCN(C)C(=O)C(=O)OC 240690a_100000223495_100000024059 [0,2,0,0,0,0|1,0,1]=4 16487 B12R0.110 CCCCCN(C)C(=O)C(=O)OC 527a_100000223495_100000024059 [0,2,0,0,0,0|1,0,1]=4 16488 B12R0.110 CCCCCN(C)C(C)C(=O)CC 2230a_100000223495_100000742827 [0,2,0,0,0,0|2,0,0]=4 16489 B12R0.110 CCCCCN(C)C(C)C(=O)CC 269982a_100000223495_100000742827 [0,2,0,0,0,0|2,0,0]=4 16490 B12R0.110 CCCCCN(C)C(C)C(=O)NC 2230a_100000223495_100000731044 [0,2,0,0,0,0|2,0,0]=4 16491 B12R0.110 CCCCCN(C)C(C)C(=O)NC 269982a_100000223495_100000209862 [0,2,0,0,0,0|2,0,0]=4 16492 B12R0.110 CCCCCN(C)C(C)C(=O)OC 2230a_100000223495_100000211248 [0,2,0,0,0,0|1,0,0]=3 16493 B12R0.110 CCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210326 [0,2,0,0,0,0|1,0,0]=3 16494 B12R0.110 CCCCCN(C)C(C)C(=O)OC 269982a_100000223495_100000211248 [0,2,0,0,0,0|1,0,0]=3 16495 B12R0.110 CCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210215 [0,2,0,0,0,0|1,0,0]=3 16496 B12R0.110 CCCCCN(C)C(F)C(=O)NC 2230a_100000223495_100009813575 [0,2,0,0,0,0|2,0,0]=4 16497 B12R0.110 CCCCCN(C)C(F)C(=O)NC 269982a_100000223495_100009813575 [0,2,0,0,0,0|2,0,0]=4 16498 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 11a_100000102301_100012027023 [0,2,0,0,0,0|1,0,1]=4 16499 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 1626a_100000102301_100012027023 [0,2,0,0,0,0|1,0,1]=4 16500 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 240690a_100000102301_100012027023 [0,2,0,0,0,0|1,0,1]=4 16501 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 527a_100000102301_100012027023 [0,2,0,0,0,0|1,0,1]=4 16502 B12R0.110 CCCCNC(C)C(=O)C(=O)OC 2230a_100000102301_100000692041 [0,2,0,0,0,0|1,0,1]=4 16503 B12R0.110 CCCCOC(C)C(=O)C(=O)OC 34a_100000210227_100000692041 [0,2,0,0,0,0|1,0,1]=4 16504 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 16505 B12R0.110 CCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210210 [0,2,0,0,0,0|1,0,0]=3 16506 B12R0.110 CCCCSC(C)C(=O)C(=O)OC 62a_100000210211_100000692041 [0,2,0,0,0,0|1,0,1]=4 16507 B12R0.110 CCCCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210210 [0,2,0,0,0,0|1,0,1]=4 16508 B12R0.110 CCCOCC(=O)C(C)C(=O)OC 1458a_100000745993_100000211248 [0,2,0,0,0,0|1,0,1]=4 16509 B12R0.110 CCCSCC(=O)C(C)C(=O)OC 1458a_100000217233_100000211248 [0,2,0,0,0,0|1,0,1]=4 16510 B12R0.110 CCOCCC(=O)C(C)C(=O)OC 1458a_100000749530_100000211248 [0,2,0,0,0,0|1,0,1]=4 16511 B12R0.110 CCOCCC(=O)C(C)C(=O)OC 1458a_100012027023_100011215890 [0,2,0,0,0,0|1,0,1]=4 16512 B12R0.110 CCOCCN(C)C(C)C(=O)OC 2230a_100000725243_100011215890 [0,2,0,0,0,0|2,0,0]=4 16513 B12R0.110 CCOCCN(C)C(C)C(=O)OC 269982a_100000725243_100011215890 [0,2,0,0,0,0|2,0,0]=4 16514 B12R0.110 CCSCCC(=O)C(C)C(=O)OC 1458a_100000230768_100000211248 [0,2,0,0,0,0|1,0,1]=4 16515 B12R0.110 CCSCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000757381 [0,2,0,0,0,0|1,0,1]=4 16516 B12R0.110 CCSCCN(C)C(C)C(=O)OC 2230a_100000725243_100000757381 [0,2,0,0,0,0|2,0,0]=4 16517 B12R0.110 CCSCCN(C)C(C)C(=O)OC 269982a_100000725243_100000757381 [0,2,0,0,0,0|2,0,0]=4 16518 B12R0.110 COC(=O)C(C)C(=O)CCCCF 1458a_100012027023_100000729493 [0,2,0,0,0,0|1,0,1]=4 16519 B12R0.110 COC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000211248 [0,2,0,0,0,0|1,0,1]=4 16520 B12R0.110 COC(=O)C(C)C(=O)CCCCO 1458a_100012027023_100000210776 [0,2,0,0,0,0|1,0,1]=4 16521 B12R0.110 COC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000211248 [0,2,0,0,0,0|1,0,1]=4 16522 B12R0.110 COC(=O)C(C)N(C)CCCCF 2230a_100000725243_100000729493 [0,2,0,0,0,0|2,0,0]=4 16523 B12R0.110 COC(=O)C(C)N(C)CCCCF 269982a_100000725243_100000729493 [0,2,0,0,0,0|2,0,0]=4 16524 B12R0.110 COC(=O)C(C)N(C)CCCCO 2230a_100000717598_100000211248 [0,2,0,0,0,0|2,0,0]=4 16525 B12R0.110 COC(=O)C(C)N(C)CCCCO 2230a_100000725243_100000210776 [0,2,0,0,0,0|2,0,0]=4 16526 B12R0.110 COC(=O)C(C)N(C)CCCCO 269982a_100000717598_100000211248 [0,2,0,0,0,0|2,0,0]=4 16527 B12R0.110 COC(=O)C(C)N(C)CCCCO 269982a_100000725243_100000210776 [0,2,0,0,0,0|2,0,0]=4 16528 B12R0.110 COC(=O)[C@@H](N)[C@@H](C)OCCCF 34a_100000004424_100011934791 [0,2,0,0,0,0|2,0,0]=4 16529 B12R0.110 COC(=O)[C@@H](N)[C@@H](C)OCCCO 34a_100000004424_100000230001 [0,2,0,0,0,0|2,0,0]=4 16530 B12R0.110 COC(=O)[C@@H](N)[C@@H](C)OCCSC 34a_100000004424_100000212216 [0,2,0,0,0,0|2,0,0]=4 16531 B12R0.110 COCCCC(=O)C(C)C(=O)OC 1458a_100000741012_100000211248 [0,2,0,0,0,0|1,0,1]=4 16532 B12R0.110 COCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000740836 [0,2,0,0,0,0|1,0,1]=4 16533 B12R0.110 COCCCN(C)C(C)C(=O)OC 2230a_100000224831_100000211248 [0,2,0,0,0,0|2,0,0]=4 16534 B12R0.110 COCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000740836 [0,2,0,0,0,0|2,0,0]=4 16535 B12R0.110 COCCCN(C)C(C)C(=O)OC 269982a_100000224831_100000211248 [0,2,0,0,0,0|2,0,0]=4 16536 B12R0.110 COCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000740836 [0,2,0,0,0,0|2,0,0]=4 16537 B12R0.110 COCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100011201679 [0,2,0,0,0,0|2,0,0]=4 16538 B12R0.200 CCC(NCCCCO)C(=O)OC 2230a_100000750430_100000235869 [0,2,0,0,0,0|2,0,0]=4 16539 B12R0.200 CCC(NCCCCO)C(=O)OC 34a_100000750430_100000235869 [0,2,0,0,0,0|2,0,0]=4 16540 B12R0.200 CCC(NCCCOC)C(=O)OC 34a_100150723488_100000235869 [0,2,0,0,0,0|2,0,0]=4 16541 B12R0.200 CCC(NCCCSC)C(=O)OC 2230a_100000749238_100000235869 [0,2,0,0,0,0|2,0,0]=4 16542 B12R0.200 CCC(OCCCCBr)C(=O)OC 34a_100011216708_100000235869 [0,2,0,0,0,0|2,0,0]=4 16543 B12R0.200 CCC(OCCCCCl)C(=O)OC 34a_100000210776_100000235869 [0,2,0,0,0,0|2,0,0]=4 16544 B12R0.200 CCC(OCCCCCl)C(=O)OC 7a_100000210776_100000742303 [0,2,0,0,0,0|2,0,0]=4 16545 B12R0.200 CCC(OCCCCF)C(=O)OC 34a_100000695916_100000729493 [0,2,0,0,0,0|2,0,0]=4 16546 B12R0.200 CCC(OCCCCF)C(=O)OC 34a_100011995726_100000235869 [0,2,0,0,0,0|2,0,0]=4 16547 B12R0.200 CCC(OCCCCF)C(=O)OC 7a_100000695916_100000729493 [0,2,0,0,0,0|2,0,0]=4 16548 B12R0.200 CCC(OCCCCF)C(=O)OC 7a_100011995726_100000742303 [0,2,0,0,0,0|2,0,0]=4 16549 B12R0.200 CCC(OCCCCI)C(=O)OC 34a_200012148704_100000235869 [0,2,0,0,0,0|2,0,0]=4 16550 B12R0.200 CCC(OCCCCN)C(=O)OC 34a_100000750430_100000235869 [0,2,0,0,0,0|2,0,0]=4 16551 B12R0.200 CCC(OCCCCO)C(=O)OC 34a_100000695916_100011216708 [0,2,0,0,0,0|2,0,0]=4 16552 B12R0.200 CCC(OCCCCO)C(=O)OC 7a_100000695916_100000210776 [0,2,0,0,0,0|2,0,0]=4 16553 B12R0.200 CCC(OCCCNC)C(=O)OC 34a_100000213112_100000235869 [0,2,0,0,0,0|2,0,0]=4 16554 B12R0.200 CCC(OCCCOC)C(=O)OC 34a_100000695916_100000740836 [0,2,0,0,0,0|2,0,0]=4 16555 B12R0.200 CCC(OCCCOC)C(=O)OC 34a_100000740835_100000235869 [0,2,0,0,0,0|2,0,0]=4 16556 B12R0.200 CCC(OCCCOC)C(=O)OC 7a_100000695916_100000740836 [0,2,0,0,0,0|2,0,0]=4 16557 B12R0.200 CCC(OCCCSC)C(=O)OC 34a_100000690336_100000235869 [0,2,0,0,0,0|2,0,0]=4 16558 B12R0.200 CCC(OCCCSC)C(=O)OC 7a_100000690336_100000742303 [0,2,0,0,0,0|2,0,0]=4 16559 B12R0.200 CCC(SCCCCF)C(=O)OC 62a_100000235869_100000729493 [0,2,0,0,0,0|2,0,0]=4 16560 B12R0.200 CCC(SCCCCF)C(=O)OC 62a_100000729493_100000235869 [0,2,0,0,0,0|2,0,0]=4 16561 B12R0.200 CCC(SCCCCO)C(=O)OC 62a_100000210776_100000235869 [0,2,0,0,0,0|2,0,0]=4 16562 B12R0.200 CCC(SCCCCO)C(=O)OC 62a_100000235869_100000210776 [0,2,0,0,0,0|2,0,0]=4 16563 B12R0.200 CCC(SCCCOC)C(=O)OC 62a_100000235869_100000709357 [0,2,0,0,0,0|2,0,0]=4 16564 B12R0.200 CCC(SCCCOC)C(=O)OC 62a_100000709357_100000235869 [0,2,0,0,0,0|2,0,0]=4 16565 B12R0.200 CCCCCCC(NC)C(=O)OC 2230a_106832991635_100009813864 [0,2,0,0,0,0|0,0,0]=2 16566 B12R0.200 CCCCCCC(NC)C(=O)OC 34a_100102657272_100009813864 [0,2,0,0,0,0|0,0,0]=2 16567 B12R0.200 CCCCCCC(NC)C(=O)OC 7a_106832991635_100009813864 [0,2,0,0,0,0|0,0,0]=2 16568 B12R0.200 CCCCCCC(OC)C(=O)OC 34a_100138415774_100009813864 [0,2,0,0,0,0|0,0,0]=2 16569 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_100009813864_200000210301 [0,2,0,0,0,0|0,0,0]=2 16570 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_200000210301_100009813864 [0,2,0,0,0,0|0,0,0]=2 16571 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_100009813864_200025704644 [0,2,0,0,0,0|0,0,0]=2 16572 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_200025704644_100009813864 [0,2,0,0,0,0|0,0,0]=2 16573 B12R0.200 CCCCCNC(CC)C(=O)OC 2230a_100000209983_100000235869 [0,2,0,0,0,0|1,0,0]=3 16574 B12R0.200 CCCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210326 [0,2,0,0,0,0|2,0,0]=4 16575 B12R0.200 CCCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000718602 [0,2,0,0,0,0|2,0,0]=4 16576 B12R0.200 CCCCCOC(C=O)C(=O)OC 34a_100000210253_100000046368 [0,2,0,0,0,0|1,0,0]=3 16577 B12R0.200 CCCCCOC(CC)C(=O)CC 34a_200011218131_100000718602 [0,2,0,0,0,0|2,0,0]=4 16578 B12R0.200 CCCCCOC(CC)C(=O)CC 7a_200011218131_100000210326 [0,2,0,0,0,0|2,0,0]=4 16579 B12R0.200 CCCCCOC(CC)C(=O)OC 34a_100000210253_100000235869 [0,2,0,0,0,0|1,0,0]=3 16580 B12R0.200 CCCCCOC(CC)C(=O)OC 34a_100000695916_100000718602 [0,2,0,0,0,0|1,0,0]=3 16581 B12R0.200 CCCCCOC(CC)C(=O)OC 7a_100000210253_100000742303 [0,2,0,0,0,0|1,0,0]=3 16582 B12R0.200 CCCCCOC(CC)C(=O)OC 7a_100000695916_100000210326 [0,2,0,0,0,0|1,0,0]=3 16583 B12R0.200 CCCCCOC(CN)C(=O)OC 34a_100000695228_100000718602 [0,2,0,0,0,0|1,0,0]=3 16584 B12R0.200 CCCCCOC(CO)C(=O)OC 34a_100000210253_100012276630 [0,2,0,0,0,0|1,0,0]=3 16585 B12R0.200 CCCCCOC(OC)C(=O)OC 34a_100000036821_100000718602 [0,2,0,0,0,0|1,0,0]=3 16586 B12R0.200 CCCCCOC(OC)C(=O)OC 34a_100000210253_100000101307 [0,2,0,0,0,0|1,0,0]=3 16587 B12R0.200 CCCCCSC(C=O)C(=O)OC 62a_100000046368_100000210326 [0,2,0,0,0,0|1,0,0]=3 16588 B12R0.200 CCCCCSC(C=O)C(=O)OC 62a_100000210326_100000046368 [0,2,0,0,0,0|1,0,0]=3 16589 B12R0.200 CCCCCSC(CC)C(=O)OC 62a_100000210326_100000235869 [0,2,0,0,0,0|1,0,0]=3 16590 B12R0.200 CCCCCSC(CC)C(=O)OC 62a_100000235869_100000210326 [0,2,0,0,0,0|1,0,0]=3 16591 B12R0.200 CCCCCSC(CO)C(=O)OC 62a_100000210326_100012276630 [0,2,0,0,0,0|1,0,0]=3 16592 B12R0.200 CCCCCSC(CO)C(=O)OC 62a_100012276630_100000210326 [0,2,0,0,0,0|1,0,0]=3 16593 B12R0.200 CCCCCSC(OC)C(=O)OC 62a_100000101307_100000210326 [0,2,0,0,0,0|1,0,0]=3 16594 B12R0.200 CCCCCSC(OC)C(=O)OC 62a_100000210326_100000101307 [0,2,0,0,0,0|1,0,0]=3 16595 B12R0.200 CCOCCNC(C=O)C(=O)OC 34a_102516460346_100000046368 [0,2,0,0,0,0|2,0,0]=4 16596 B12R0.200 CCOCCNC(CC)C(=O)OC 2230a_102516460346_100000235869 [0,2,0,0,0,0|2,0,0]=4 16597 B12R0.200 CCOCCNC(CC)C(=O)OC 34a_102516460346_100000235869 [0,2,0,0,0,0|2,0,0]=4 16598 B12R0.200 CCOCCNC(CO)C(=O)OC 34a_102516460346_100012276630 [0,2,0,0,0,0|2,0,0]=4 16599 B12R0.200 CCOCCNC(OC)C(=O)OC 34a_102516460346_100000101307 [0,2,0,0,0,0|2,0,0]=4 16600 B12R0.200 CCOCCOC(C=O)C(=O)OC 34a_100000210136_100000046368 [0,2,0,0,0,0|2,0,0]=4 16601 B12R0.200 CCOCCOC(CC)C(=O)OC 34a_100000210136_100000235869 [0,2,0,0,0,0|2,0,0]=4 16602 B12R0.200 CCOCCOC(CC)C(=O)OC 34a_100000695916_100000210147 [0,2,0,0,0,0|2,0,0]=4 16603 B12R0.200 CCOCCOC(CC)C(=O)OC 7a_100000210136_100000742303 [0,2,0,0,0,0|2,0,0]=4 16604 B12R0.200 CCOCCOC(CC)C(=O)OC 7a_100000695916_100011215890 [0,2,0,0,0,0|2,0,0]=4 16605 B12R0.200 CCOCCOC(CN)C(=O)OC 34a_100000695228_100000210147 [0,2,0,0,0,0|2,0,0]=4 16606 B12R0.200 CCOCCOC(CO)C(=O)OC 34a_100000210136_100012276630 [0,2,0,0,0,0|2,0,0]=4 16607 B12R0.200 CCOCCOC(OC)C(=O)OC 34a_100000036821_100000210147 [0,2,0,0,0,0|2,0,0]=4 16608 B12R0.200 CCOCCOC(OC)C(=O)OC 34a_100000210136_100000101307 [0,2,0,0,0,0|2,0,0]=4 16609 B12R0.200 CCOCCSC(C=O)C(=O)OC 62a_100000046368_100011215890 [0,2,0,0,0,0|2,0,0]=4 16610 B12R0.200 CCOCCSC(C=O)C(=O)OC 62a_100000210147_100000046368 [0,2,0,0,0,0|2,0,0]=4 16611 B12R0.200 CCOCCSC(CC)C(=O)OC 62a_100000210147_100000235869 [0,2,0,0,0,0|2,0,0]=4 16612 B12R0.200 CCOCCSC(CC)C(=O)OC 62a_100000235869_100011215890 [0,2,0,0,0,0|2,0,0]=4 16613 B12R0.200 CCOCCSC(CO)C(=O)OC 62a_100000210147_100012276630 [0,2,0,0,0,0|2,0,0]=4 16614 B12R0.200 CCOCCSC(CO)C(=O)OC 62a_100012276630_100011215890 [0,2,0,0,0,0|2,0,0]=4 16615 B12R0.200 CCOCCSC(OC)C(=O)OC 62a_100000101307_100011215890 [0,2,0,0,0,0|2,0,0]=4 16616 B12R0.200 CCOCCSC(OC)C(=O)OC 62a_100000210147_100000101307 [0,2,0,0,0,0|2,0,0]=4 16617 B12R0.200 CCSCCNC(CC)C(=O)OC 2230a_100000106463_100000235869 [0,2,0,0,0,0|2,0,0]=4 16618 B12R0.200 CCSCCOC(C=O)C(=O)OC 34a_100000212035_100000046368 [0,2,0,0,0,0|2,0,0]=4 16619 B12R0.200 CCSCCOC(CC)C(=O)OC 34a_100000212035_100000235869 [0,2,0,0,0,0|2,0,0]=4 16620 B12R0.200 CCSCCOC(CC)C(=O)OC 34a_100000695916_100000757381 [0,2,0,0,0,0|2,0,0]=4 16621 B12R0.200 CCSCCOC(CC)C(=O)OC 7a_100000212035_100000742303 [0,2,0,0,0,0|2,0,0]=4 16622 B12R0.200 CCSCCOC(CC)C(=O)OC 7a_100000695916_100000757381 [0,2,0,0,0,0|2,0,0]=4 16623 B12R0.200 CCSCCOC(CN)C(=O)OC 34a_100000695228_100000757381 [0,2,0,0,0,0|2,0,0]=4 16624 B12R0.200 CCSCCOC(CO)C(=O)OC 34a_100000212035_100012276630 [0,2,0,0,0,0|2,0,0]=4 16625 B12R0.200 CCSCCOC(OC)C(=O)OC 34a_100000036821_100000757381 [0,2,0,0,0,0|2,0,0]=4 16626 B12R0.200 CCSCCOC(OC)C(=O)OC 34a_100000212035_100000101307 [0,2,0,0,0,0|2,0,0]=4 16627 B12R0.200 CCSCCSC(C=O)C(=O)OC 62a_100000046368_100000757381 [0,2,0,0,0,0|2,0,0]=4 16628 B12R0.200 CCSCCSC(C=O)C(=O)OC 62a_100000757381_100000046368 [0,2,0,0,0,0|2,0,0]=4 16629 B12R0.200 CCSCCSC(CC)C(=O)OC 62a_100000235869_100000757381 [0,2,0,0,0,0|2,0,0]=4 16630 B12R0.200 CCSCCSC(CC)C(=O)OC 62a_100000757381_100000235869 [0,2,0,0,0,0|2,0,0]=4 16631 B12R0.200 CCSCCSC(CO)C(=O)OC 62a_100000757381_100012276630 [0,2,0,0,0,0|2,0,0]=4 16632 B12R0.200 CCSCCSC(CO)C(=O)OC 62a_100012276630_100000757381 [0,2,0,0,0,0|2,0,0]=4 16633 B12R0.200 CCSCCSC(OC)C(=O)OC 62a_100000101307_100000757381 [0,2,0,0,0,0|2,0,0]=4 16634 B12R0.200 CCSCCSC(OC)C(=O)OC 62a_100000757381_100000101307 [0,2,0,0,0,0|2,0,0]=4 16635 B12R0.200 CNCCCOC(C=O)C(=O)OC 34a_100000213112_100000046368 [0,2,0,0,0,0|2,0,0]=4 16636 B12R0.200 CNCCCOC(CO)C(=O)OC 34a_100000213112_100012276630 [0,2,0,0,0,0|2,0,0]=4 16637 B12R0.200 CNCCCOC(OC)C(=O)OC 34a_100000213112_100000101307 [0,2,0,0,0,0|2,0,0]=4 16638 B12R0.200 COC(=O)C(C=O)NCCCCO 34a_100000750430_100000046368 [0,2,0,0,0,0|2,0,0]=4 16639 B12R0.200 COC(=O)C(C=O)OCCCCBr 34a_100011216708_100000046368 [0,2,0,0,0,0|2,0,0]=4 16640 B12R0.200 COC(=O)C(C=O)OCCCCCl 34a_100000210776_100000046368 [0,2,0,0,0,0|2,0,0]=4 16641 B12R0.200 COC(=O)C(C=O)OCCCCF 34a_100011995726_100000046368 [0,2,0,0,0,0|2,0,0]=4 16642 B12R0.200 COC(=O)C(C=O)OCCCCI 34a_200012148704_100000046368 [0,2,0,0,0,0|2,0,0]=4 16643 B12R0.200 COC(=O)C(C=O)OCCCCN 34a_100000750430_100000046368 [0,2,0,0,0,0|2,0,0]=4 16644 B12R0.200 COC(=O)C(C=O)OCCCSC 34a_100000690336_100000046368 [0,2,0,0,0,0|2,0,0]=4 16645 B12R0.200 COC(=O)C(C=O)SCCCCF 62a_100000046368_100000729493 [0,2,0,0,0,0|2,0,0]=4 16646 B12R0.200 COC(=O)C(C=O)SCCCCF 62a_100000729493_100000046368 [0,2,0,0,0,0|2,0,0]=4 16647 B12R0.200 COC(=O)C(C=O)SCCCCO 62a_100000046368_100000210776 [0,2,0,0,0,0|2,0,0]=4 16648 B12R0.200 COC(=O)C(C=O)SCCCCO 62a_100000210776_100000046368 [0,2,0,0,0,0|2,0,0]=4 16649 B12R0.200 COC(=O)C(CN)OCCCCF 34a_100000695228_100000729493 [0,2,0,0,0,0|2,0,0]=4 16650 B12R0.200 COC(=O)C(CN)OCCCCO 34a_100000695228_100011216708 [0,2,0,0,0,0|2,0,0]=4 16651 B12R0.200 COC(=O)C(CO)NCCCCO 34a_100000750430_100012276630 [0,2,0,0,0,0|2,0,0]=4 16652 B12R0.200 COC(=O)C(CO)OCCCCBr 34a_100011216708_100012276630 [0,2,0,0,0,0|2,0,0]=4 16653 B12R0.200 COC(=O)C(CO)OCCCCCl 34a_100000210776_100012276630 [0,2,0,0,0,0|2,0,0]=4 16654 B12R0.200 COC(=O)C(CO)OCCCCF 34a_100011995726_100012276630 [0,2,0,0,0,0|2,0,0]=4 16655 B12R0.200 COC(=O)C(CO)OCCCCI 34a_200012148704_100012276630 [0,2,0,0,0,0|2,0,0]=4 16656 B12R0.200 COC(=O)C(CO)OCCCCN 34a_100000750430_100012276630 [0,2,0,0,0,0|2,0,0]=4 16657 B12R0.200 COC(=O)C(CO)OCCCSC 34a_100000690336_100012276630 [0,2,0,0,0,0|2,0,0]=4 16658 B12R0.200 COC(=O)C(CO)SCCCCF 62a_100000729493_100012276630 [0,2,0,0,0,0|2,0,0]=4 16659 B12R0.200 COC(=O)C(CO)SCCCCF 62a_100012276630_100000729493 [0,2,0,0,0,0|2,0,0]=4 16660 B12R0.200 COC(=O)C(CO)SCCCCO 62a_100000210776_100012276630 [0,2,0,0,0,0|2,0,0]=4 16661 B12R0.200 COC(=O)C(CO)SCCCCO 62a_100012276630_100000210776 [0,2,0,0,0,0|2,0,0]=4 16662 B12R0.200 COC(=O)C(NCCCCO)OC 34a_100000750430_100000101307 [0,2,0,0,0,0|2,0,0]=4 16663 B12R0.200 COC(=O)C(OC)OCCCCBr 34a_100011216708_100000101307 [0,2,0,0,0,0|2,0,0]=4 16664 B12R0.200 COC(=O)C(OC)OCCCCCl 34a_100000210776_100000101307 [0,2,0,0,0,0|2,0,0]=4 16665 B12R0.200 COC(=O)C(OC)OCCCCF 34a_100000036821_100000729493 [0,2,0,0,0,0|2,0,0]=4 16666 B12R0.200 COC(=O)C(OC)OCCCCF 34a_100011995726_100000101307 [0,2,0,0,0,0|2,0,0]=4 16667 B12R0.200 COC(=O)C(OC)OCCCCI 34a_200012148704_100000101307 [0,2,0,0,0,0|2,0,0]=4 16668 B12R0.200 COC(=O)C(OC)OCCCCN 34a_100000750430_100000101307 [0,2,0,0,0,0|2,0,0]=4 16669 B12R0.200 COC(=O)C(OC)OCCCCO 34a_100000036821_100011216708 [0,2,0,0,0,0|2,0,0]=4 16670 B12R0.200 COC(=O)C(OC)OCCCSC 34a_100000690336_100000101307 [0,2,0,0,0,0|2,0,0]=4 16671 B12R0.200 COC(=O)C(OC)SCCCCF 62a_100000101307_100000729493 [0,2,0,0,0,0|2,0,0]=4 16672 B12R0.200 COC(=O)C(OC)SCCCCF 62a_100000729493_100000101307 [0,2,0,0,0,0|2,0,0]=4 16673 B12R0.200 COC(=O)C(OC)SCCCCO 62a_100000101307_100000210776 [0,2,0,0,0,0|2,0,0]=4 16674 B12R0.200 COC(=O)C(OC)SCCCCO 62a_100000210776_100000101307 [0,2,0,0,0,0|2,0,0]=4 16675 B12R0.200 COCCCNC(C=O)C(=O)OC 34a_100150723488_100000046368 [0,2,0,0,0,0|2,0,0]=4 16676 B12R0.200 COCCCNC(CO)C(=O)OC 34a_100150723488_100012276630 [0,2,0,0,0,0|2,0,0]=4 16677 B12R0.200 COCCCNC(OC)C(=O)OC 34a_100150723488_100000101307 [0,2,0,0,0,0|2,0,0]=4 16678 B12R0.200 COCCCOC(C=O)C(=O)OC 34a_100000740835_100000046368 [0,2,0,0,0,0|2,0,0]=4 16679 B12R0.200 COCCCOC(CN)C(=O)OC 34a_100000695228_100000740836 [0,2,0,0,0,0|2,0,0]=4 16680 B12R0.200 COCCCOC(CO)C(=O)OC 34a_100000740835_100012276630 [0,2,0,0,0,0|2,0,0]=4 16681 B12R0.200 COCCCOC(OC)C(=O)OC 34a_100000036821_100000740836 [0,2,0,0,0,0|2,0,0]=4 16682 B12R0.200 COCCCOC(OC)C(=O)OC 34a_100000740835_100000101307 [0,2,0,0,0,0|2,0,0]=4 16683 B12R0.200 COCCCSC(C=O)C(=O)OC 62a_100000046368_100000709357 [0,2,0,0,0,0|2,0,0]=4 16684 B12R0.200 COCCCSC(C=O)C(=O)OC 62a_100000709357_100000046368 [0,2,0,0,0,0|2,0,0]=4 16685 B12R0.200 COCCCSC(CO)C(=O)OC 62a_100000709357_100012276630 [0,2,0,0,0,0|2,0,0]=4 16686 B12R0.200 COCCCSC(CO)C(=O)OC 62a_100012276630_100000709357 [0,2,0,0,0,0|2,0,0]=4 16687 B12R0.200 COCCCSC(OC)C(=O)OC 62a_100000101307_100000709357 [0,2,0,0,0,0|2,0,0]=4 16688 B12R0.200 COCCCSC(OC)C(=O)OC 62a_100000709357_100000101307 [0,2,0,0,0,0|2,0,0]=4 16689 B12R0.600 CCCCCCC(C)(C)C(=O)CC 1458a_100011290782_100000210202 [0,2,0,0,0,0|1,0,0]=3 16690 B12R0.600 CCCCCCC(C)(C)C(=O)CF 1458a_100011290782_100015361967 [0,2,0,0,0,0|2,0,0]=4 16691 B12R0.600 CCCCCCC(C)(C)C(=O)NC 11a_106832991635_100011290782 [0,2,0,0,0,0|1,0,0]=3 16692 B12R0.600 CCCCCCC(C)(C)C(=O)NC 1626a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 16693 B12R0.600 CCCCCCC(C)(C)C(=O)NC 240690a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 16694 B12R0.600 CCCCCCC(C)(C)C(=O)NC 527a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 16695 B12R0.600 CCCCCNC(C)(C)C(=O)NC 2230a_100000209983_100000732697 [0,2,0,0,0,0|2,0,0]=4 16696 B12R0.600 CCCCCNC(C)(C)C(=O)OC 2230a_100000209983_100000689032 [0,2,0,0,0,0|1,0,0]=3 16697 B12R0.600 CCCCCNC(C)(F)C(=O)OC 2230a_100000209983_200009867631 [0,2,0,0,0,0|1,0,0]=3 16698 B12R0.600 CCCCCOC(C)(C)C(=O)NC 34a_100000210253_100000732697 [0,2,0,0,0,0|2,0,0]=4 16699 B12R0.600 CCCCCOC(C)(C)C(=O)OC 34a_100011217581_100000718602 [0,2,0,0,0,0|1,0,0]=3 16700 B12R0.600 CCCCCOC(C)(C)C(=O)OC 7a_100011217581_100000210326 [0,2,0,0,0,0|1,0,0]=3 16701 B12R0.600 CCCCCOC(C)(F)C(=O)OC 34a_100000210253_200009867631 [0,2,0,0,0,0|1,0,0]=3 16702 B12R0.600 CCCCCOC(F)(F)C(=O)OC 34a_100000210253_100000211177 [0,2,0,0,0,0|1,0,0]=3 16703 B12R0.600 CCCCCOC(F)(F)C(=O)OC 7a_100000210253_100000211177 [0,2,0,0,0,0|1,0,0]=3 16704 B12R0.600 CCCCCSC(C)(C)C(=O)NC 62a_100000210326_100000732697 [0,2,0,0,0,0|2,0,0]=4 16705 B12R0.600 CCCCCSC(C)(C)C(=O)NC 62a_100000732697_100000210326 [0,2,0,0,0,0|2,0,0]=4 16706 B12R0.600 CCCCCSC(C)(C)C(=O)OC 62a_100000210326_100000689032 [0,2,0,0,0,0|1,0,0]=3 16707 B12R0.600 CCCCCSC(C)(C)C(=O)OC 62a_100000689032_100000210326 [0,2,0,0,0,0|1,0,0]=3 16708 B12R0.600 CCCCCSC(C)(F)C(=O)OC 62a_100000210326_200009867631 [0,2,0,0,0,0|1,0,0]=3 16709 B12R0.600 CCCCCSC(C)(F)C(=O)OC 62a_200009867631_100000210326 [0,2,0,0,0,0|1,0,0]=3 16710 B12R0.600 CCCCCSC(F)(F)C(=O)OC 62a_100000210326_100000211177 [0,2,0,0,0,0|1,0,0]=3 16711 B12R0.600 CCCCCSC(F)(F)C(=O)OC 62a_100000211177_100000210326 [0,2,0,0,0,0|1,0,0]=3 16712 B12R0.600 CCCCOCC(C)(C)C(=O)NC 34a_100000210227_100000702813 [0,2,0,0,0,0|2,0,0]=4 16713 B12R0.600 CCCCOCC(C)(C)C(=O)OC 34a_100000709632_100000210210 [0,2,0,0,0,0|1,0,0]=3 16714 B12R0.600 CCCCOCC(C)(C)C(=O)OC 7a_100000709632_100000210211 [0,2,0,0,0,0|1,0,0]=3 16715 B12R0.600 CCCCOCC(F)(F)C(=O)OC 34a_100000210227_100010295740 [0,2,0,0,0,0|1,0,0]=3 16716 B12R0.600 CCCCSCC(C)(C)C(=O)NC 62a_100000210211_100000702813 [0,2,0,0,0,0|2,0,0]=4 16717 B12R0.600 CCCCSCC(C)(C)C(=O)NC 62a_100000702813_100000210210 [0,2,0,0,0,0|2,0,0]=4 16718 B12R0.600 CCCCSCC(C)(C)C(=O)OC 62a_100000210211_100000684552 [0,2,0,0,0,0|1,0,0]=3 16719 B12R0.600 CCCCSCC(C)(C)C(=O)OC 62a_100000684552_100000210210 [0,2,0,0,0,0|1,0,0]=3 16720 B12R0.600 CCCCSCC(F)(F)C(=O)OC 62a_100000210211_100010295740 [0,2,0,0,0,0|1,0,0]=3 16721 B12R0.600 CCCCSCC(F)(F)C(=O)OC 62a_100010295740_100000210210 [0,2,0,0,0,0|1,0,0]=3 16722 B12R0.600 CCNCCCC(C)(C)C(=O)OC 2230a_100015525214_100010114820 [0,2,0,0,0,0|1,0,0]=3 16723 B12R0.600 CCOCCCC(C)(C)C(=O)OC 34a_100121572206_100010114820 [0,2,0,0,0,0|1,0,0]=3 16724 B12R0.600 CCOCCNC(C)(C)C(=O)OC 2230a_102516460346_100000689032 [0,2,0,0,0,0|2,0,0]=4 16725 B12R0.600 CCOCCNC(C)(F)C(=O)OC 2230a_102516460346_200009867631 [0,2,0,0,0,0|2,0,0]=4 16726 B12R0.600 CCOCCNC(C)(F)C(=O)OC 34a_102516460346_200009867631 [0,2,0,0,0,0|2,0,0]=4 16727 B12R0.600 CCOCCNC(F)(F)C(=O)OC 34a_102516460346_100000211177 [0,2,0,0,0,0|2,0,0]=4 16728 B12R0.600 CCOCCOC(C)(C)C(=O)OC 34a_100011217581_100000210147 [0,2,0,0,0,0|2,0,0]=4 16729 B12R0.600 CCOCCOC(C)(C)C(=O)OC 7a_100011217581_100011215890 [0,2,0,0,0,0|2,0,0]=4 16730 B12R0.600 CCOCCOC(C)(F)C(=O)OC 34a_100000210136_200009867631 [0,2,0,0,0,0|2,0,0]=4 16731 B12R0.600 CCOCCOC(F)(F)C(=O)OC 34a_100000210136_100000211177 [0,2,0,0,0,0|2,0,0]=4 16732 B12R0.600 CCOCCOC(F)(F)C(=O)OC 7a_100000210136_100000211177 [0,2,0,0,0,0|2,0,0]=4 16733 B12R0.600 CCOCCSC(C)(C)C(=O)OC 62a_100000210147_100000689032 [0,2,0,0,0,0|2,0,0]=4 16734 B12R0.600 CCOCCSC(C)(C)C(=O)OC 62a_100000689032_100011215890 [0,2,0,0,0,0|2,0,0]=4 16735 B12R0.600 CCOCCSC(C)(F)C(=O)OC 62a_100000210147_200009867631 [0,2,0,0,0,0|2,0,0]=4 16736 B12R0.600 CCOCCSC(C)(F)C(=O)OC 62a_200009867631_100011215890 [0,2,0,0,0,0|2,0,0]=4 16737 B12R0.600 CCOCCSC(F)(F)C(=O)OC 62a_100000210147_100000211177 [0,2,0,0,0,0|2,0,0]=4 16738 B12R0.600 CCOCCSC(F)(F)C(=O)OC 62a_100000211177_100011215890 [0,2,0,0,0,0|2,0,0]=4 16739 B12R0.600 CCOCSCC(C)(C)C(=O)OC 62a_100000684552_100000739092 [0,2,0,0,0,0|2,0,0]=4 16740 B12R0.600 CCOCSCC(C)(C)C(=O)OC 62a_100000739092_100000684552 [0,2,0,0,0,0|2,0,0]=4 16741 B12R0.600 CCOCSCC(F)(F)C(=O)OC 62a_100000739092_100010295740 [0,2,0,0,0,0|2,0,0]=4 16742 B12R0.600 CCOCSCC(F)(F)C(=O)OC 62a_100010295740_100000739092 [0,2,0,0,0,0|2,0,0]=4 16743 B12R0.600 CCSCCCC(C)(C)C(=O)OC 62a_100000210202_100010114820 [0,2,0,0,0,0|1,0,0]=3 16744 B12R0.600 CCSCCCC(C)(C)C(=O)OC 62a_100010114820_100000210202 [0,2,0,0,0,0|1,0,0]=3 16745 B12R0.600 CCSCCNC(C)(C)C(=O)OC 2230a_100000106463_100000689032 [0,2,0,0,0,0|2,0,0]=4 16746 B12R0.600 CCSCCNC(C)(F)C(=O)OC 2230a_100000106463_200009867631 [0,2,0,0,0,0|2,0,0]=4 16747 B12R0.600 CCSCCOC(C)(C)C(=O)OC 34a_100011217581_100000757381 [0,2,0,0,0,0|2,0,0]=4 16748 B12R0.600 CCSCCOC(C)(C)C(=O)OC 7a_100011217581_100000757381 [0,2,0,0,0,0|2,0,0]=4 16749 B12R0.600 CCSCCOC(C)(F)C(=O)OC 34a_100000212035_200009867631 [0,2,0,0,0,0|2,0,0]=4 16750 B12R0.600 CCSCCOC(F)(F)C(=O)OC 34a_100000212035_100000211177 [0,2,0,0,0,0|2,0,0]=4 16751 B12R0.600 CCSCCOC(F)(F)C(=O)OC 7a_100000212035_100000211177 [0,2,0,0,0,0|2,0,0]=4 16752 B12R0.600 CCSCCSC(C)(C)C(=O)OC 62a_100000689032_100000757381 [0,2,0,0,0,0|2,0,0]=4 16753 B12R0.600 CCSCCSC(C)(C)C(=O)OC 62a_100000757381_100000689032 [0,2,0,0,0,0|2,0,0]=4 16754 B12R0.600 CCSCCSC(C)(F)C(=O)OC 62a_100000757381_200009867631 [0,2,0,0,0,0|2,0,0]=4 16755 B12R0.600 CCSCCSC(C)(F)C(=O)OC 62a_200009867631_100000757381 [0,2,0,0,0,0|2,0,0]=4 16756 B12R0.600 CCSCCSC(F)(F)C(=O)OC 62a_100000211177_100000757381 [0,2,0,0,0,0|2,0,0]=4 16757 B12R0.600 CCSCCSC(F)(F)C(=O)OC 62a_100000757381_100000211177 [0,2,0,0,0,0|2,0,0]=4 16758 B12R0.600 CNCCCOC(C)(F)C(=O)OC 34a_100000213112_200009867631 [0,2,0,0,0,0|2,0,0]=4 16759 B12R0.600 CNCCCOC(F)(F)C(=O)OC 34a_100000213112_100000211177 [0,2,0,0,0,0|2,0,0]=4 16760 B12R0.600 COC(=O)C(C)(C)CCCSCF 62a_100010114820_100015361967 [0,2,0,0,0,0|2,0,0]=4 16761 B12R0.600 COC(=O)C(C)(C)CCCSCF 62a_100015361967_100010114820 [0,2,0,0,0,0|2,0,0]=4 16762 B12R0.600 COC(=O)C(C)(C)COCCCF 34a_100000709632_100011934791 [0,2,0,0,0,0|2,0,0]=4 16763 B12R0.600 COC(=O)C(C)(C)COCCCF 7a_100000709632_100011934791 [0,2,0,0,0,0|2,0,0]=4 16764 B12R0.600 COC(=O)C(C)(C)COCCCO 34a_100000709632_100000230001 [0,2,0,0,0,0|2,0,0]=4 16765 B12R0.600 COC(=O)C(C)(C)COCCCO 7a_100000709632_100011215043 [0,2,0,0,0,0|2,0,0]=4 16766 B12R0.600 COC(=O)C(C)(C)COCCSC 34a_100000709632_100000212216 [0,2,0,0,0,0|2,0,0]=4 16767 B12R0.600 COC(=O)C(C)(C)COCCSC 7a_100000709632_100000212216 [0,2,0,0,0,0|2,0,0]=4 16768 B12R0.600 COC(=O)C(C)(C)CSCCCF 62a_100000684552_100011934791 [0,2,0,0,0,0|2,0,0]=4 16769 B12R0.600 COC(=O)C(C)(C)CSCCCF 62a_100011934791_100000684552 [0,2,0,0,0,0|2,0,0]=4 16770 B12R0.600 COC(=O)C(C)(C)CSCCCO 62a_100000684552_100011215043 [0,2,0,0,0,0|2,0,0]=4 16771 B12R0.600 COC(=O)C(C)(C)CSCCCO 62a_100011215043_100000684552 [0,2,0,0,0,0|2,0,0]=4 16772 B12R0.600 COC(=O)C(C)(C)CSCCSC 62a_100000212216_100000684552 [0,2,0,0,0,0|2,0,0]=4 16773 B12R0.600 COC(=O)C(C)(C)CSCCSC 62a_100000684552_100000751147 [0,2,0,0,0,0|2,0,0]=4 16774 B12R0.600 COC(=O)C(C)(C)NCCCCO 2230a_100000750430_100000689032 [0,2,0,0,0,0|2,0,0]=4 16775 B12R0.600 COC(=O)C(C)(C)NCCCSC 2230a_100000749238_100000689032 [0,2,0,0,0,0|2,0,0]=4 16776 B12R0.600 COC(=O)C(C)(C)OCCCCF 34a_100011217581_100000729493 [0,2,0,0,0,0|2,0,0]=4 16777 B12R0.600 COC(=O)C(C)(C)OCCCCF 7a_100011217581_100000729493 [0,2,0,0,0,0|2,0,0]=4 16778 B12R0.600 COC(=O)C(C)(C)OCCCCO 34a_100011217581_100011216708 [0,2,0,0,0,0|2,0,0]=4 16779 B12R0.600 COC(=O)C(C)(C)OCCCCO 7a_100011217581_100000210776 [0,2,0,0,0,0|2,0,0]=4 16780 B12R0.600 COC(=O)C(C)(C)SCCCCF 62a_100000689032_100000729493 [0,2,0,0,0,0|2,0,0]=4 16781 B12R0.600 COC(=O)C(C)(C)SCCCCF 62a_100000729493_100000689032 [0,2,0,0,0,0|2,0,0]=4 16782 B12R0.600 COC(=O)C(C)(C)SCCCCO 62a_100000210776_100000689032 [0,2,0,0,0,0|2,0,0]=4 16783 B12R0.600 COC(=O)C(C)(C)SCCCCO 62a_100000689032_100000210776 [0,2,0,0,0,0|2,0,0]=4 16784 B12R0.600 COC(=O)C(C)(F)NCCCCO 2230a_100000750430_200009867631 [0,2,0,0,0,0|2,0,0]=4 16785 B12R0.600 COC(=O)C(C)(F)NCCCCO 34a_100000750430_200009867631 [0,2,0,0,0,0|2,0,0]=4 16786 B12R0.600 COC(=O)C(C)(F)NCCCSC 2230a_100000749238_200009867631 [0,2,0,0,0,0|2,0,0]=4 16787 B12R0.600 COC(=O)C(C)(F)OCCCCBr 34a_100011216708_200009867631 [0,2,0,0,0,0|2,0,0]=4 16788 B12R0.600 COC(=O)C(C)(F)OCCCCCl 34a_100000210776_200009867631 [0,2,0,0,0,0|2,0,0]=4 16789 B12R0.600 COC(=O)C(C)(F)OCCCCF 34a_100011995726_200009867631 [0,2,0,0,0,0|2,0,0]=4 16790 B12R0.600 COC(=O)C(C)(F)OCCCCI 34a_200012148704_200009867631 [0,2,0,0,0,0|2,0,0]=4 16791 B12R0.600 COC(=O)C(C)(F)OCCCCN 34a_100000750430_200009867631 [0,2,0,0,0,0|2,0,0]=4 16792 B12R0.600 COC(=O)C(C)(F)OCCCSC 34a_100000690336_200009867631 [0,2,0,0,0,0|2,0,0]=4 16793 B12R0.600 COC(=O)C(C)(F)SCCCCF 62a_100000729493_200009867631 [0,2,0,0,0,0|2,0,0]=4 16794 B12R0.600 COC(=O)C(C)(F)SCCCCF 62a_200009867631_100000729493 [0,2,0,0,0,0|2,0,0]=4 16795 B12R0.600 COC(=O)C(C)(F)SCCCCO 62a_100000210776_200009867631 [0,2,0,0,0,0|2,0,0]=4 16796 B12R0.600 COC(=O)C(C)(F)SCCCCO 62a_200009867631_100000210776 [0,2,0,0,0,0|2,0,0]=4 16797 B12R0.600 COC(=O)C(F)(F)CNCCCF 34a_100015189416_100010295740 [0,2,0,0,0,0|2,0,0]=4 16798 B12R0.600 COC(=O)C(F)(F)COCCCBr 34a_100011217188_100010295740 [0,2,0,0,0,0|2,0,0]=4 16799 B12R0.600 COC(=O)C(F)(F)COCCCCl 34a_100000230001_100010295740 [0,2,0,0,0,0|2,0,0]=4 16800 B12R0.600 COC(=O)C(F)(F)COCCCF 34a_100000759539_100010295740 [0,2,0,0,0,0|2,0,0]=4 16801 B12R0.600 COC(=O)C(F)(F)COCCCN 34a_100000182051_100010295740 [0,2,0,0,0,0|2,0,0]=4 16802 B12R0.600 COC(=O)C(F)(F)COCCSC 34a_100000230434_100010295740 [0,2,0,0,0,0|2,0,0]=4 16803 B12R0.600 COC(=O)C(F)(F)CSCCCF 62a_100010295740_100011934791 [0,2,0,0,0,0|2,0,0]=4 16804 B12R0.600 COC(=O)C(F)(F)CSCCCF 62a_100011934791_100010295740 [0,2,0,0,0,0|2,0,0]=4 16805 B12R0.600 COC(=O)C(F)(F)CSCCCO 62a_100010295740_100011215043 [0,2,0,0,0,0|2,0,0]=4 16806 B12R0.600 COC(=O)C(F)(F)CSCCCO 62a_100011215043_100010295740 [0,2,0,0,0,0|2,0,0]=4 16807 B12R0.600 COC(=O)C(F)(F)CSCCSC 62a_100000212216_100010295740 [0,2,0,0,0,0|2,0,0]=4 16808 B12R0.600 COC(=O)C(F)(F)CSCCSC 62a_100010295740_100000751147 [0,2,0,0,0,0|2,0,0]=4 16809 B12R0.600 COC(=O)C(F)(F)NCCCCO 34a_100000750430_100000211177 [0,2,0,0,0,0|2,0,0]=4 16810 B12R0.600 COC(=O)C(F)(F)OCCCCBr 34a_100011216708_100000211177 [0,2,0,0,0,0|2,0,0]=4 16811 B12R0.600 COC(=O)C(F)(F)OCCCCCl 34a_100000210776_100000211177 [0,2,0,0,0,0|2,0,0]=4 16812 B12R0.600 COC(=O)C(F)(F)OCCCCCl 7a_100000210776_100000211177 [0,2,0,0,0,0|2,0,0]=4 16813 B12R0.600 COC(=O)C(F)(F)OCCCCF 34a_100011995726_100000211177 [0,2,0,0,0,0|2,0,0]=4 16814 B12R0.600 COC(=O)C(F)(F)OCCCCF 7a_100011995726_100000211177 [0,2,0,0,0,0|2,0,0]=4 16815 B12R0.600 COC(=O)C(F)(F)OCCCCI 34a_200012148704_100000211177 [0,2,0,0,0,0|2,0,0]=4 16816 B12R0.600 COC(=O)C(F)(F)OCCCCN 34a_100000750430_100000211177 [0,2,0,0,0,0|2,0,0]=4 16817 B12R0.600 COC(=O)C(F)(F)OCCCSC 34a_100000690336_100000211177 [0,2,0,0,0,0|2,0,0]=4 16818 B12R0.600 COC(=O)C(F)(F)OCCCSC 7a_100000690336_100000211177 [0,2,0,0,0,0|2,0,0]=4 16819 B12R0.600 COC(=O)C(F)(F)SCCCCF 62a_100000211177_100000729493 [0,2,0,0,0,0|2,0,0]=4 16820 B12R0.600 COC(=O)C(F)(F)SCCCCF 62a_100000729493_100000211177 [0,2,0,0,0,0|2,0,0]=4 16821 B12R0.600 COC(=O)C(F)(F)SCCCCO 62a_100000210776_100000211177 [0,2,0,0,0,0|2,0,0]=4 16822 B12R0.600 COC(=O)C(F)(F)SCCCCO 62a_100000211177_100000210776 [0,2,0,0,0,0|2,0,0]=4 16823 B12R0.600 COCCCNC(C)(F)C(=O)OC 34a_100150723488_200009867631 [0,2,0,0,0,0|2,0,0]=4 16824 B12R0.600 COCCCNC(F)(F)C(=O)OC 34a_100150723488_100000211177 [0,2,0,0,0,0|2,0,0]=4 16825 B12R0.600 COCCCOC(C)(C)C(=O)OC 34a_100011217581_100000740836 [0,2,0,0,0,0|2,0,0]=4 16826 B12R0.600 COCCCOC(C)(C)C(=O)OC 7a_100011217581_100000740836 [0,2,0,0,0,0|2,0,0]=4 16827 B12R0.600 COCCCOC(C)(F)C(=O)OC 34a_100000740835_200009867631 [0,2,0,0,0,0|2,0,0]=4 16828 B12R0.600 COCCCOC(F)(F)C(=O)OC 34a_100000740835_100000211177 [0,2,0,0,0,0|2,0,0]=4 16829 B12R0.600 COCCCSC(C)(C)C(=O)OC 62a_100000689032_100000709357 [0,2,0,0,0,0|2,0,0]=4 16830 B12R0.600 COCCCSC(C)(C)C(=O)OC 62a_100000709357_100000689032 [0,2,0,0,0,0|2,0,0]=4 16831 B12R0.600 COCCCSC(C)(F)C(=O)OC 62a_100000709357_200009867631 [0,2,0,0,0,0|2,0,0]=4 16832 B12R0.600 COCCCSC(C)(F)C(=O)OC 62a_200009867631_100000709357 [0,2,0,0,0,0|2,0,0]=4 16833 B12R0.600 COCCCSC(F)(F)C(=O)OC 62a_100000211177_100000709357 [0,2,0,0,0,0|2,0,0]=4 16834 B12R0.600 COCCCSC(F)(F)C(=O)OC 62a_100000709357_100000211177 [0,2,0,0,0,0|2,0,0]=4 16835 B12R0.600 COCCOCC(C)(C)C(=O)OC 34a_100000709632_100011201679 [0,2,0,0,0,0|2,0,0]=4 16836 B12R0.600 COCCOCC(C)(C)C(=O)OC 7a_100000709632_100000233755 [0,2,0,0,0,0|2,0,0]=4 16837 B12R0.600 COCCOCC(F)(F)C(=O)OC 34a_100000210237_100010295740 [0,2,0,0,0,0|2,0,0]=4 16838 B12R0.600 COCCSCC(C)(C)C(=O)OC 62a_100000233755_100000684552 [0,2,0,0,0,0|2,0,0]=4 16839 B12R0.600 COCCSCC(C)(C)C(=O)OC 62a_100000684552_100000233755 [0,2,0,0,0,0|2,0,0]=4 16840 B12R0.600 COCCSCC(F)(F)C(=O)OC 62a_100000233755_100010295740 [0,2,0,0,0,0|2,0,0]=4 16841 B12R0.600 COCCSCC(F)(F)C(=O)OC 62a_100010295740_100000233755 [0,2,0,0,0,0|2,0,0]=4 16842 B12R0.68 C=C(CCC)CC(=O)CC(=O)OC 1458a_100000138376_100000747449 [0,2,0,0,0,0|0,0,2]=4 16843 B12R0.68 CCCC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747444 [0,2,0,0,0,0|0,0,2]=4 16844 B12R0.68 CCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210303 [0,2,0,0,0,0|0,0,1]=3 16845 B12R0.68 CCCC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000747444 [0,2,0,0,0,0|1,0,1]=4 16846 B12R0.68 CCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000211992 [0,2,0,0,0,0|1,0,1]=4 16847 B12R0.68 CCCC(C)CC(=O)CC(=O)CC 1458a_100000748435_100000747405 [0,2,0,0,0,0|1,0,1]=4 16848 B12R0.68 CCCC(C)CC(=O)CC(=O)NC 1458a_100000748435_100000183359 [0,2,0,0,0,0|1,0,1]=4 16849 B12R0.68 CCCC(C)CC(=O)CC(=O)OC 1458a_100000211351_100011216630 [0,2,0,0,0,0|0,0,1]=3 16850 B12R0.68 CCCC(C)CC(=O)CC(=O)OC 1458a_100000748435_100000747449 [0,2,0,0,0,0|0,0,1]=3 16851 B12R0.68 CCCC(C)CN(C)CC(=O)NC 2230a_100000189611_100011216630 [0,2,0,0,0,0|2,0,0]=4 16852 B12R0.68 CCCC(C)CN(C)CC(=O)NC 270004a_100000189611_100000243154 [0,2,0,0,0,0|2,0,0]=4 16853 B12R0.68 CCCC(C)CN(C)CC(=O)OC 2230a_100000198492_100011216630 [0,2,0,0,0,0|1,0,0]=3 16854 B12R0.68 CCCC(C)CN(C)CC(=O)OC 270004a_100000198492_100000243154 [0,2,0,0,0,0|1,0,0]=3 16855 B12R0.68 CCCC(C)NC(=O)CC(=O)OC 240690a_100000741246_100000211351 [0,2,0,0,0,0|1,0,1]=4 16856 B12R0.68 CCCC(C)NC(C)CC(=O)OC 2230a_100000741246_100009817358 [0,2,0,0,0,0|1,0,0]=3 16857 B12R0.68 CCCC(C)OC(C)CC(=O)OC 34a_100000764384_100009817358 [0,2,0,0,0,0|1,0,0]=3 16858 B12R0.68 CCCC(C)OC(C)CC(=O)OC 7a_100000764384_100009817358 [0,2,0,0,0,0|1,0,0]=3 16859 B12R0.68 CCCC(C)SC(C)CC(=O)OC 62a_100000766640_100009817358 [0,2,0,0,0,0|1,0,0]=3 16860 B12R0.68 CCCC(C)SC(C)CC(=O)OC 62a_100009817358_100000766640 [0,2,0,0,0,0|1,0,0]=3 16861 B12R0.68 CCCS(=O)CC(=O)CC(=O)OC 1458a_100011387404_100000747449 [0,2,0,0,0,0|1,0,1]=4 16862 B12R0.68 CCNC(=O)CC(C)CC(=O)OC 11a_100015525214_100000732146 [0,2,0,0,0,0|1,0,1]=4 16863 B12R0.68 CCNC(=O)CC(C)CC(=O)OC 240690a_100015525214_100000732146 [0,2,0,0,0,0|1,0,1]=4 16864 B12R0.68 CCNC(=O)CC(C)CC(=O)OC 527a_100015525214_100000732146 [0,2,0,0,0,0|1,0,1]=4 16865 B12R0.68 CCSC(C)CC(=O)CC(=O)OC 1458a_200011311441_100000747449 [0,2,0,0,0,0|1,0,1]=4 16866 B12R0.68 COC(=O)CC(C)CC(=O)CCF 1458a_100000732146_100011217306 [0,2,0,0,0,0|1,0,1]=4 16867 B12R0.68 COC(=O)CC(C)CC(=O)CCO 1458a_100000732146_100000211926 [0,2,0,0,0,0|1,0,1]=4 16868 B12R0.68 COC(=O)CC(C)N[C@H](C)CCO 2230a_100000706166_100009817358 [0,2,0,0,0,0|2,0,0]=4 16869 B12R0.68 COC(=O)CC(C)N[C@H](C)CCO 34a_100000706166_100009817358 [0,2,0,0,0,0|2,0,0]=4 16870 B12R0.68 COC(=O)CC(C)OC(C)CCBr 34a_100012276601_100009817358 [0,2,0,0,0,0|2,0,0]=4 16871 B12R0.68 COC(=O)CC(C)SC(C)CCO 62a_100009817358_100009893172 [0,2,0,0,0,0|2,0,0]=4 16872 B12R0.68 COC(=O)CC(C)SC(C)CCO 62a_100009893172_100009817358 [0,2,0,0,0,0|2,0,0]=4 16873 B12R0.68 COCC(C)SC(C)CC(=O)OC 62a_100000765312_100009817358 [0,2,0,0,0,0|2,0,0]=4 16874 B12R0.68 COCC(C)SC(C)CC(=O)OC 62a_100009817358_100000765312 [0,2,0,0,0,0|2,0,0]=4 16875 B12R0.68 COCC(O)CN(C)CC(=O)OC 2230a_100000739405_100000747449 [0,2,0,0,0,0|2,0,0]=4 16876 B12R0.68 COCC(O)CN(C)CC(=O)OC 269982a_100000739405_100000747449 [0,2,0,0,0,0|2,0,0]=4 16877 B12R0.68 COC[C@@H](C)NC(C)CC(=O)OC 2230a_100000764878_100009817358 [0,2,0,0,0,0|2,0,0]=4 16878 B12R0.68 COC[C@@H](C)OC(C)CC(=O)OC 34a_100011934205_100009817358 [0,2,0,0,0,0|2,0,0]=4 16879 B12R0.126 CCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210211 [0,2,0,0,0,0|1,0,0]=3 16880 B12R0.126 CCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210211 [0,2,0,0,0,0|1,0,0]=3 16881 B12R0.126 CCN(CCCCO)CC(=O)OC 2230a_100011217355_100000747449 [0,2,0,0,0,0|2,0,0]=4 16882 B12R0.126 CCN(CCCCO)CC(=O)OC 269982a_100011217355_100000747449 [0,2,0,0,0,0|2,0,0]=4 16883 B12R0.126 CC[C@@H](CC(=O)OC)OCCCF 7a_200015357724_100011934791 [0,2,0,0,0,0|2,0,0]=4 16884 B12R0.126 CC[C@@H](CC(=O)OC)OCCCO 7a_200015357724_100011215043 [0,2,0,0,0,0|2,0,0]=4 16885 B12R0.126 CC[C@@H](CC(=O)OC)OCCOC 7a_200015357724_100000233755 [0,2,0,0,0,0|2,0,0]=4 16886 B12R0.126 CC[C@@H](CC(=O)OC)OCCSC 7a_200015357724_100000212216 [0,2,0,0,0,0|2,0,0]=4 16887 B12R0.126 COC(=O)C[C@H](CCl)OCCCF 7a_100000754131_100011934791 [0,2,0,0,0,0|2,0,0]=4 16888 B12R0.126 COC(=O)C[C@H](CCl)OCCCO 7a_100000754131_100011215043 [0,2,0,0,0,0|2,0,0]=4 16889 B12R0.126 COC(=O)C[C@H](CCl)OCCSC 7a_100000754131_100000212216 [0,2,0,0,0,0|2,0,0]=4 16890 B12R0.126 COCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000233755 [0,2,0,0,0,0|2,0,0]=4 16891 B12R0.657 CCCCNS(=O)(=O)CC(=O)OC 270084a_100000102301_100000736875 [0,2,0,0,0,0|2,0,0]=4 16892 B12R0.657 CCCCNS(=O)(=O)CC(=O)OC 274078a_100000102301_100000736875 [0,2,0,0,0,0|2,0,0]=4 16893 B12R0.657 CCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210211 [0,2,0,0,0,0|1,0,0]=3 16894 B12R0.657 COC(=O)CC(C)(C)OCCCF 7a_100015205050_100011934791 [0,2,0,0,0,0|2,0,0]=4 16895 B12R0.657 COC(=O)CC(C)(C)OCCCO 7a_100015205050_100011215043 [0,2,0,0,0,0|2,0,0]=4 16896 B12R0.657 COC(=O)CC(C)(C)OCCSC 7a_100015205050_100000212216 [0,2,0,0,0,0|2,0,0]=4 16897 B12R0.657 COCCOC(C)(C)CC(=O)OC 7a_100015205050_100000233755 [0,2,0,0,0,0|2,0,0]=4 16898 B12R0.176 CCCC(C)(C)COCC(=O)CC 7a_100011995695_100000747405 [0,2,0,0,0,0|2,0,0]=4 16899 B12R0.176 CCCC(C)(C)COCC(=O)NC 7a_100011995695_100000183359 [0,2,0,0,0,0|2,0,0]=4 16900 B12R0.176 CCCC(C)(C)COCC(=O)OC 7a_100011995695_100000747449 [0,2,0,0,0,0|1,0,0]=3 16901 B12R0.176 CCCC(C)(C)OCCC(=O)NC 7a_100000748436_100000737683 [0,2,0,0,0,0|2,0,0]=4 16902 B12R0.176 CCCC(C)(C)OCCC(=O)OC 7a_100000748436_100000204255 [0,2,0,0,0,0|1,0,0]=3 16903 B12R0.176 CCNC(C)(C)COCC(=O)OC 7a_100000747347_100000747449 [0,2,0,0,0,0|2,0,0]=4 16904 B12R0.176 COC(=O)CCNC(C)(C)CSC 2230a_100000759623_100000204255 [0,2,0,0,0,0|2,0,0]=4 16905 B12R0.176 COC(=O)CCNC(C)(C)CSC 7a_100000759623_100000204255 [0,2,0,0,0,0|2,0,0]=4 16906 B12R0.176 COC(=O)CCOC(C)(C)CCBr 7a_100000702414_100000204255 [0,2,0,0,0,0|2,0,0]=4 16907 B12R0.176 COCC(C)(C)CNCC(=O)OC 2230a_100000734190_100000747449 [0,2,0,0,0,0|2,0,0]=4 16908 B12R0.176 COCC(C)(C)NCCC(=O)OC 2230a_100000752728_100000204255 [0,2,0,0,0,0|2,0,0]=4 16909 B12R0.229 C#CC(CCC)OCCC(=O)NC 34a_200011217317_100012179268 [0,2,0,0,0,0|2,0,0]=4 16910 B12R0.229 C#CC(CCC)OCCC(=O)NC 7a_200011217317_100000737683 [0,2,0,0,0,0|2,0,0]=4 16911 B12R0.229 C#CC(CCC)OCCC(=O)OC 34a_200011217317_100000742370 [0,2,0,0,0,0|1,0,0]=3 16912 B12R0.229 C#CC(CCC)OCCC(=O)OC 7a_200011217317_100000204255 [0,2,0,0,0,0|1,0,0]=3 16913 B12R0.229 C=CC(CCC)OCCC(=O)NC 34a_100011216692_100012179268 [0,2,0,0,0,0|2,0,0]=4 16914 B12R0.229 C=CC(CCC)OCCC(=O)NC 7a_100011216692_100000737683 [0,2,0,0,0,0|2,0,0]=4 16915 B12R0.229 C=CC(CCC)OCCC(=O)OC 34a_100011216692_100000742370 [0,2,0,0,0,0|1,0,0]=3 16916 B12R0.229 C=CC(CCC)OCCC(=O)OC 7a_100011216692_100000204255 [0,2,0,0,0,0|1,0,0]=3 16917 B12R0.229 CCC(COC)NCCC(=O)OC 2230a_100000757820_100000204255 [0,2,0,0,0,0|2,0,0]=4 16918 B12R0.229 CCC(COC)OCCC(=O)OC 7a_200011214946_100000204255 [0,2,0,0,0,0|2,0,0]=4 16919 B12R0.229 CCCC(C#N)OCCC(=O)NC 34a_100000686963_100012179268 [0,2,0,0,0,0|2,0,0]=4 16920 B12R0.229 CCCC(C#N)OCCC(=O)NC 7a_100000686963_100000737683 [0,2,0,0,0,0|2,0,0]=4 16921 B12R0.229 CCCC(C#N)OCCC(=O)OC 34a_100000686963_100000742370 [0,2,0,0,0,0|1,0,0]=3 16922 B12R0.229 CCCC(C#N)OCCC(=O)OC 7a_100000686963_100000204255 [0,2,0,0,0,0|1,0,0]=3 16923 B12R0.229 CCCC(CC)NCCC(=O)NC 2230a_100000747048_100000737683 [0,2,0,0,0,0|2,0,0]=4 16924 B12R0.229 CCCC(CC)NCCC(=O)NC 270004a_100000738227_100000687865 [0,2,0,0,0,0|2,0,0]=4 16925 B12R0.229 CCCC(CC)NCCC(=O)OC 2230a_100000747048_100000204255 [0,2,0,0,0,0|1,0,0]=3 16926 B12R0.229 CCCC(CC)OCCC(=O)NC 34a_100000687864_100012179268 [0,2,0,0,0,0|2,0,0]=4 16927 B12R0.229 CCCC(CC)OCCC(=O)NC 7a_100000687864_100000737683 [0,2,0,0,0,0|2,0,0]=4 16928 B12R0.229 CCCC(CC)OCCC(=O)OC 34a_100000687864_100000742370 [0,2,0,0,0,0|1,0,0]=3 16929 B12R0.229 CCCC(CC)OCCC(=O)OC 7a_100000687864_100000204255 [0,2,0,0,0,0|1,0,0]=3 16930 B12R0.229 CCCC(CC)SCCC(=O)NC 62a_100000737683_100011219200 [0,2,0,0,0,0|2,0,0]=4 16931 B12R0.229 CCCC(CC)SCCC(=O)NC 62a_100011219200_100000737683 [0,2,0,0,0,0|2,0,0]=4 16932 B12R0.229 CCCC(CC)SCCC(=O)OC 62a_100000204255_100011219200 [0,2,0,0,0,0|1,0,0]=3 16933 B12R0.229 CCCC(CC)SCCC(=O)OC 62a_100011219200_100000204255 [0,2,0,0,0,0|1,0,0]=3 16934 B12R0.229 CCCC(CC)SCOC(=O)OC 62a_100011219200_100000139417 [0,2,0,0,0,0|2,0,0]=4 16935 B12R0.229 CCCN(CC)CCCC(=O)NC 2230a_100000226822_100000741757 [0,2,0,0,0,0|2,0,0]=4 16936 B12R0.229 CCCN(CC)CCCC(=O)NC 269982a_100000226822_100000741757 [0,2,0,0,0,0|2,0,0]=4 16937 B12R0.229 CCCN(CC)CCCC(=O)OC 2230a_100000226822_100011218270 [0,2,0,0,0,0|1,0,0]=3 16938 B12R0.229 CCCN(CC)CCCC(=O)OC 269982a_100000226822_100011218270 [0,2,0,0,0,0|1,0,0]=3 16939 B12R0.229 CCC[C@@H](CO)NCCC(=O)NC 2230a_100000732646_100000737683 [0,2,0,0,0,0|2,0,0]=4 16940 B12R0.229 CCC[C@@H](CO)NCCC(=O)NC 34a_100000732646_100012179268 [0,2,0,0,0,0|2,0,0]=4 16941 B12R0.229 CCC[C@@H](CO)NCCC(=O)OC 2230a_100000732646_100000204255 [0,2,0,0,0,0|1,0,0]=3 16942 B12R0.229 CCC[C@@H](CO)NCCC(=O)OC 34a_100000732646_100000742370 [0,2,0,0,0,0|1,0,0]=3 16943 B12R0.229 CCN(CCO)CCCC(=O)OC 2230a_100000210973_100011218270 [0,2,0,0,0,0|2,0,0]=4 16944 B12R0.229 CCN(CCO)CCCC(=O)OC 269982a_100000210973_100011218270 [0,2,0,0,0,0|2,0,0]=4 16945 B12R0.229 CCOC(CC)CNCC(=O)OC 2230a_100015183923_100000747449 [0,2,0,0,0,0|2,0,0]=4 16946 B12R0.229 CCOC(CC)CNCC(=O)OC 34a_100015183923_100000747449 [0,2,0,0,0,0|2,0,0]=4 16947 B12R0.229 COCC(CCl)OCCC(=O)OC 34a_100011215053_100000742370 [0,2,0,0,0,0|2,0,0]=4 16948 B12R0.229 COCC(CN)OCCC(=O)OC 34a_100000756049_100000742370 [0,2,0,0,0,0|2,0,0]=4 16949 B12R0.229 COCC(CO)NCCC(=O)OC 2230a_100000724102_100000204255 [0,2,0,0,0,0|2,0,0]=4 16950 B12R0.229 COCC(CO)NCCC(=O)OC 34a_100000724102_100000742370 [0,2,0,0,0,0|2,0,0]=4 16951 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 16952 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|2,0,0]=4 16953 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16954 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16955 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [1,0,0,1,0,0|2,0,0]=4 16956 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|1,0,0]=3 16957 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 16958 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [1,0,0,1,0,0|2,0,0]=4 16959 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 16960 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [1,0,0,1,0,0|2,0,0]=4 16961 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [1,0,0,1,0,0|2,0,0]=4 16962 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 16963 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [1,0,0,1,0,0|2,0,0]=4 16964 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [1,0,0,1,0,0|2,0,0]=4 16965 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|1,0,0]=3 16966 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [1,0,0,1,0,0|2,0,0]=4 16967 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,1,0,0|2,0,0]=4 16968 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,1,0,0|2,0,0]=4 16969 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 16970 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 16971 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [1,0,0,1,0,0|2,0,0]=4 16972 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,1,0,0|2,0,0]=4 16973 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 16974 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 16975 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,1,0,0|2,0,0]=4 16976 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [1,0,0,1,0,0|2,0,0]=4 16977 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [1,0,0,1,0,0|2,0,0]=4 16978 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [1,0,0,1,0,0|2,0,0]=4 16979 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,1,0,0|2,0,0]=4 16980 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [1,0,0,1,0,0|2,0,0]=4 16981 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [1,0,0,1,0,0|2,0,0]=4 16982 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,1,0,0|2,0,0]=4 16983 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,1,0,0|2,0,0]=4 16984 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,1,0,0|2,0,0]=4 16985 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,1,0,0|2,0,0]=4 16986 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [1,0,0,1,0,0|2,0,0]=4 16987 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [1,0,0,1,0,0|2,0,0]=4 16988 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [1,0,0,1,0,0|2,0,0]=4 16989 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [1,0,0,1,0,0|0,0,2]=4 16990 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [1,0,0,1,0,0|0,0,2]=4 16991 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|0,0,0]=2 16992 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|0,0,0]=2 16993 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,0]=3 16994 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,0]=3 16995 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|1,0,0]=3 16996 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|1,0,0]=3 16997 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,1,0,0|1,0,0]=3 16998 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,1,0,0|1,0,0]=3 16999 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|1,0,0]=3 17000 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [1,0,0,1,0,0|2,0,0]=4 17001 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 17002 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 17003 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 17004 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,1,0,0|1,0,0]=3 17005 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 17006 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 17007 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 17008 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [1,0,0,1,0,0|2,0,0]=4 17009 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 17010 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 17011 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 17012 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [1,0,0,1,0,0|2,0,0]=4 17013 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 17014 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 17015 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 17016 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [1,0,0,1,0,0|2,0,0]=4 17017 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 17018 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 17019 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 17020 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 17021 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 17022 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 17023 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 17024 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 17025 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [1,0,0,1,0,0|0,0,2]=4 17026 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [1,0,0,1,0,0|0,0,2]=4 17027 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|0,0,0]=2 17028 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,0]=3 17029 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|1,0,0]=3 17030 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,1,0,0|1,0,0]=3 17031 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|1,0,0]=3 17032 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [1,0,0,1,0,0|2,0,0]=4 17033 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [1,0,0,1,0,0|2,0,0]=4 17034 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [1,0,0,1,0,0|2,0,0]=4 17035 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [1,0,0,1,0,0|2,0,0]=4 17036 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [1,0,0,1,0,0|2,0,0]=4 17037 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [1,0,0,1,0,0|1,0,0]=3 17038 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,0,0,1,0,0|1,0,0]=3 17039 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [1,0,0,1,0,0|1,0,0]=3 17040 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [1,0,0,1,0,0|1,0,0]=3 17041 B10R1.24 CCOCSC1CC(=O)C1 62a_100009894365_100000739092 [1,0,0,1,0,0|2,0,0]=4 17042 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [1,0,0,1,0,0|2,0,0]=4 17043 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [1,0,0,1,0,0|2,0,0]=4 17044 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [1,0,0,1,0,0|2,0,0]=4 17045 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [1,0,0,1,0,0|2,0,0]=4 17046 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [1,0,0,1,0,0|2,0,0]=4 17047 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [1,0,0,1,0,0|2,0,0]=4 17048 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [1,0,0,1,0,0|2,0,0]=4 17049 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [1,0,0,1,0,0|2,0,0]=4 17050 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [1,0,0,1,0,0|2,0,0]=4 17051 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [1,0,0,1,0,0|2,0,0]=4 17052 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [1,0,0,1,0,0|2,0,0]=4 17053 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [1,0,0,1,0,0|2,0,0]=4 17054 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [1,0,0,1,0,0|2,0,0]=4 17055 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [1,0,0,1,0,0|2,0,0]=4 17056 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [1,0,0,1,0,0|2,0,0]=4 17057 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [1,0,0,1,0,0|2,0,0]=4 17058 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [1,0,0,1,0,0|2,0,0]=4 17059 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [1,0,0,1,0,0|2,0,0]=4 17060 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [1,0,0,1,0,0|2,0,0]=4 17061 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 17062 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 17063 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 17064 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|1,0,0]=3 17065 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|1,0,0]=3 17066 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|1,0,0]=3 17067 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|2,0,0]=4 17068 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,0]=3 17069 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [1,0,0,1,0,0|2,0,0]=4 17070 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,1,0,0|2,0,0]=4 17071 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|2,0,0]=4 17072 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|1,0,1]=4 17073 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|0,0,0]=2 17074 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|1,0,0]=3 17075 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 17076 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 17077 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 17078 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,0,0,1,0,0|1,0,0]=3 17079 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 17080 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 17081 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [1,0,0,1,0,0|2,0,0]=4 17082 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,0,0,1,0,0|1,0,0]=3 17083 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|0,0,0]=2 17084 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [1,0,0,1,0,0|2,0,0]=4 17085 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 17086 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 17087 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 17088 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|1,0,0]=3 17089 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,0,0,1,0,0|1,0,0]=3 17090 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [1,0,0,1,0,0|2,0,0]=4 17091 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [1,0,0,1,0,0|2,0,0]=4 17092 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [1,0,0,1,0,0|2,0,0]=4 17093 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|1,0,0]=3 17094 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 17095 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 17096 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 17097 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|1,0,0]=3 17098 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [1,0,0,1,0,0|2,0,0]=4 17099 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [1,0,0,1,0,0|2,0,0]=4 17100 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [1,0,0,1,0,0|2,0,0]=4 17101 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [1,0,0,1,0,0|2,0,0]=4 17102 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [1,0,0,1,0,0|2,0,0]=4 17103 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 17104 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 17105 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 17106 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 17107 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 17108 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [1,0,0,1,0,0|2,0,0]=4 17109 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 17110 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 17111 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [1,0,0,1,0,0|1,0,1]=4 17112 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [1,0,0,1,0,0|1,0,1]=4 17113 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [1,0,0,1,0,0|2,0,0]=4 17114 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [1,0,0,1,0,0|2,0,0]=4 17115 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [1,0,0,1,0,0|1,0,1]=4 17116 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [1,0,0,1,0,0|2,0,0]=4 17117 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [1,0,0,1,0,0|2,0,0]=4 17118 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [1,0,0,1,0,0|2,0,0]=4 17119 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [1,0,0,1,0,0|2,0,0]=4 17120 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [1,0,0,1,0,0|2,0,0]=4 17121 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [1,0,0,1,0,0|2,0,0]=4 17122 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [1,0,0,1,0,0|2,0,0]=4 17123 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [1,0,0,1,0,0|2,0,0]=4 17124 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [1,0,0,1,0,0|2,0,0]=4 17125 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|0,0,0]=2 17126 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|0,0,0]=2 17127 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|1,0,0]=3 17128 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [1,0,0,1,0,0|2,0,0]=4 17129 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [1,0,0,1,0,0|2,0,0]=4 17130 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,1,0,0|1,0,0]=3 17131 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,1,0,0|1,0,0]=3 17132 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,1,0,0|1,0,0]=3 17133 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [1,0,0,1,0,0|2,0,0]=4 17134 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [1,0,0,1,0,0|2,0,0]=4 17135 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,1,0,0|1,0,0]=3 17136 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,1,0,0|1,0,0]=3 17137 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [1,0,0,1,0,0|2,0,0]=4 17138 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 17139 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 17140 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 17141 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,1,0,0|1,0,0]=3 17142 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 17143 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 17144 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 17145 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [1,0,0,1,0,0|2,0,0]=4 17146 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 17147 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 17148 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 17149 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,1,0,0|2,0,0]=4 17150 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [1,0,0,1,0,0|2,0,0]=4 17151 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [1,0,0,1,0,0|2,0,0]=4 17152 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 17153 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 17154 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [1,0,0,1,0,0|2,0,0]=4 17155 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [1,0,0,1,0,0|2,0,0]=4 17156 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [1,0,0,1,0,0|2,0,0]=4 17157 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [1,0,0,1,0,0|2,0,0]=4 17158 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [1,0,0,1,0,0|2,0,0]=4 17159 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [1,0,0,1,0,0|2,0,0]=4 17160 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [1,0,0,1,0,0|2,0,0]=4 17161 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [1,0,0,1,0,0|2,0,0]=4 17162 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [1,0,0,1,0,0|2,0,0]=4 17163 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,1,0,0|1,0,0]=3 17164 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [1,0,0,1,0,0|2,0,0]=4 17165 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [1,0,0,1,0,0|1,0,1]=4 17166 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [1,0,0,1,0,0|1,0,1]=4 17167 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [1,0,0,1,0,0|1,0,1]=4 17168 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [1,0,0,1,0,0|1,0,1]=4 17169 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|0,0,0]=2 17170 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|1,0,0]=3 17171 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [1,0,0,1,0,0|2,0,0]=4 17172 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,1,0,0|1,0,0]=3 17173 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [1,0,0,1,0,0|2,0,0]=4 17174 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,1,0,0|1,0,0]=3 17175 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [1,0,0,1,0,0|2,0,0]=4 17176 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [1,0,0,1,0,0|2,0,0]=4 17177 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [1,0,0,1,0,0|2,0,0]=4 17178 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [1,0,0,1,0,0|2,0,0]=4 17179 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [1,0,0,1,0,0|1,0,1]=4 17180 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 17181 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 17182 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 17183 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 17184 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 17185 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 17186 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|1,0,0]=3 17187 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 17188 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 17189 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 17190 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [1,0,0,1,0,0|2,0,0]=4 17191 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [1,0,0,1,0,0|2,0,0]=4 17192 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [1,0,0,1,0,0|2,0,0]=4 17193 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [1,0,0,1,0,0|2,0,0]=4 17194 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [1,0,0,1,0,0|2,0,0]=4 17195 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [1,0,0,1,0,0|2,0,0]=4 17196 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [1,0,0,1,0,0|2,0,0]=4 17197 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [1,0,0,1,0,0|1,0,1]=4 17198 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [1,0,0,1,0,0|1,0,0]=3 17199 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [1,0,0,1,0,0|2,0,0]=4 17200 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [1,0,0,1,0,0|2,0,0]=4 17201 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [1,0,0,1,0,0|2,0,0]=4 17202 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [1,0,0,1,0,0|2,0,0]=4 17203 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [1,0,0,1,0,0|2,0,0]=4 17204 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [1,0,0,1,0,0|2,0,0]=4 17205 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [1,0,0,1,0,0|2,0,0]=4 17206 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [1,0,0,1,0,0|2,0,0]=4 17207 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [1,0,0,1,0,0|2,0,0]=4 17208 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [1,0,0,1,0,0|2,0,0]=4 17209 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [1,0,0,1,0,0|2,0,0]=4 17210 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [1,0,0,1,0,0|2,0,0]=4 17211 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [1,0,0,1,0,0|2,0,0]=4 17212 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [1,0,0,1,0,0|2,0,0]=4 17213 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [1,0,0,1,0,0|2,0,0]=4 17214 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [1,0,0,1,0,0|2,0,0]=4 17215 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [1,0,0,1,0,0|1,0,0]=3 17216 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,0,0,1,0,0|1,0,0]=3 17217 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [1,0,0,1,0,0|1,0,0]=3 17218 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,0,0,1,0,0|1,0,0]=3 17219 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,0,0,1,0,0|1,0,0]=3 17220 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [1,0,0,1,0,0|2,0,0]=4 17221 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [1,0,0,1,0,0|2,0,0]=4 17222 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [1,0,0,1,0,0|2,0,0]=4 17223 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [1,0,0,1,0,0|2,0,0]=4 17224 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [1,0,0,1,0,0|1,0,0]=3 17225 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [1,0,0,1,0,0|1,0,0]=3 17226 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [1,0,0,1,0,0|2,0,0]=4 17227 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [1,0,0,1,0,0|2,0,0]=4 17228 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [1,0,0,1,0,0|2,0,0]=4 17229 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [1,0,0,1,0,0|2,0,0]=4 17230 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [1,0,0,1,0,0|2,0,0]=4 17231 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [1,0,0,1,0,0|2,0,0]=4 17232 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|1,0,0]=3 17233 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [1,0,0,1,0,0|2,0,0]=4 17234 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [1,0,0,1,0,0|2,0,0]=4 17235 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [1,0,0,1,0,0|2,0,0]=4 17236 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [1,0,0,1,0,0|2,0,0]=4 17237 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [1,0,0,1,0,0|2,0,0]=4 17238 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [1,0,0,1,0,0|2,0,0]=4 17239 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [1,0,0,1,0,0|2,0,0]=4 17240 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [1,0,0,1,0,0|2,0,0]=4 17241 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [1,0,0,1,0,0|2,0,0]=4 17242 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [1,0,0,1,0,0|2,0,0]=4 17243 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [1,0,0,1,0,0|2,0,0]=4 17244 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [1,0,0,1,0,0|2,0,0]=4 17245 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [1,0,0,1,0,0|2,0,0]=4 17246 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [1,0,0,1,0,0|2,0,0]=4 17247 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [1,0,0,1,0,0|2,0,0]=4 17248 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [1,0,0,1,0,0|2,0,0]=4 17249 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [1,0,0,1,0,0|2,0,0]=4 17250 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [1,0,0,1,0,0|2,0,0]=4 17251 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [1,0,0,1,0,0|2,0,0]=4 17252 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [1,0,0,1,0,0|2,0,0]=4 17253 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [1,0,0,1,0,0|2,0,0]=4 17254 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [1,0,0,1,0,0|2,0,0]=4 17255 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [1,0,0,1,0,0|2,0,0]=4 17256 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [1,0,0,1,0,0|2,0,0]=4 17257 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [1,0,0,1,0,0|2,0,0]=4 17258 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [1,0,0,1,0,0|2,0,0]=4 17259 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,0|1,0,0]=3 17260 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [1,0,0,1,0,0|2,0,0]=4 17261 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [1,0,0,1,0,0|2,0,0]=4 17262 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [1,0,0,1,0,0|1,0,1]=4 17263 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [1,0,0,1,0,0|1,0,1]=4 17264 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [1,0,0,1,0,0|1,0,1]=4 17265 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [1,0,0,1,0,0|1,0,1]=4 17266 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [1,0,0,1,0,0|2,0,0]=4 17267 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [1,0,0,1,0,0|2,0,0]=4 17268 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [1,0,0,1,0,0|2,0,0]=4 17269 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [1,0,0,1,0,0|2,0,0]=4 17270 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [1,0,0,1,0,0|2,0,0]=4 17271 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [1,0,0,1,0,0|2,0,0]=4 17272 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [1,0,0,1,0,0|2,0,0]=4 17273 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [1,0,0,1,0,0|2,0,0]=4 17274 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [1,0,0,1,0,0|2,0,0]=4 17275 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [1,0,0,1,0,0|2,0,0]=4 17276 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [1,0,0,1,0,0|2,0,0]=4 17277 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [1,0,0,1,0,0|1,0,0]=3 17278 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [1,0,0,1,0,0|1,0,0]=3 17279 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [1,0,0,1,0,0|2,0,0]=4 17280 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [1,0,0,1,0,0|2,0,0]=4 17281 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [1,0,0,1,0,0|2,0,0]=4 17282 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [1,0,0,1,0,0|1,0,0]=3 17283 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [1,0,0,1,0,0|2,0,0]=4 17284 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [1,0,0,1,0,0|1,0,0]=3 17285 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [1,0,0,1,0,0|2,0,0]=4 17286 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [1,0,0,1,0,0|2,0,0]=4 17287 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [1,0,0,1,0,0|2,0,0]=4 17288 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [1,0,0,1,0,0|2,0,0]=4 17289 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [1,0,0,1,0,0|2,0,0]=4 17290 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [1,0,0,1,0,0|2,0,0]=4 17291 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [1,0,0,1,0,0|2,0,0]=4 17292 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [1,0,0,1,0,0|2,0,0]=4 17293 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [1,0,0,1,0,0|2,0,0]=4 17294 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [1,0,0,1,0,0|2,0,0]=4 17295 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [1,0,0,1,0,0|2,0,0]=4 17296 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [1,0,0,1,0,0|2,0,0]=4 17297 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [1,0,0,1,0,0|2,0,0]=4 17298 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [1,0,0,1,0,0|2,0,0]=4 17299 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [1,0,0,1,0,0|2,0,0]=4 17300 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [1,0,0,1,0,0|2,0,0]=4 17301 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [1,0,0,1,0,0|2,0,0]=4 17302 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [1,0,0,1,0,0|2,0,0]=4 17303 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [1,0,0,1,0,0|2,0,0]=4 17304 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [1,0,0,1,0,0|2,0,0]=4 17305 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [1,0,0,1,0,0|2,0,0]=4 17306 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [1,0,0,1,0,0|1,0,0]=3 17307 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [1,0,0,1,0,0|2,0,0]=4 17308 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [1,0,0,1,0,0|2,0,0]=4 17309 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [1,0,0,1,0,0|2,0,0]=4 17310 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [1,0,0,1,0,0|1,0,1]=4 17311 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [1,0,0,1,0,0|1,0,1]=4 17312 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [1,0,0,1,0,0|1,0,1]=4 17313 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [1,0,0,1,0,0|1,0,1]=4 17314 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [1,0,0,1,0,0|2,0,0]=4 17315 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [1,0,0,1,0,0|0,0,2]=4 17316 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|0,0,0]=2 17317 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|0,0,0]=2 17318 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 17319 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 17320 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 17321 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|1,0,0]=3 17322 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 17323 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 17324 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 17325 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [1,0,0,1,0,0|2,0,0]=4 17326 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 17327 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 17328 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [1,0,0,1,0,0|2,0,0]=4 17329 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [1,0,0,1,0,0|2,0,0]=4 17330 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 17331 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 17332 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 17333 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 17334 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [1,0,0,1,0,0|0,0,2]=4 17335 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|0,0,0]=2 17336 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 17337 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 17338 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 17339 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 17340 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 17341 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 17342 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [1,0,0,1,0,0|2,0,0]=4 17343 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [1,0,0,1,0,0|2,0,0]=4 17344 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [1,0,0,1,0,0|2,0,0]=4 17345 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [1,0,0,1,0,0|2,0,0]=4 17346 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [1,0,0,1,0,0|2,0,0]=4 17347 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [1,0,0,1,0,0|2,0,0]=4 17348 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [1,0,0,1,0,0|1,0,1]=4 17349 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [1,0,0,1,0,0|1,0,1]=4 17350 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [1,0,0,1,0,0|1,0,1]=4 17351 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [1,0,0,1,0,0|1,0,1]=4 17352 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [1,0,0,1,0,0|1,0,1]=4 17353 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [1,0,0,1,0,0|1,0,1]=4 17354 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [1,0,0,1,0,0|1,0,1]=4 17355 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [1,0,0,1,0,0|1,0,1]=4 17356 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [1,0,0,1,0,0|1,0,1]=4 17357 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [1,0,0,1,0,0|1,0,1]=4 17358 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [1,0,0,1,0,0|1,0,1]=4 17359 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [1,0,0,1,0,0|1,0,1]=4 17360 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [1,0,0,1,0,0|1,0,1]=4 17361 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|1,0,1]=4 17362 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|1,0,1]=4 17363 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [1,0,0,1,0,0|1,0,1]=4 17364 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [1,0,0,1,0,0|1,0,1]=4 17365 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [1,0,0,1,0,0|1,0,1]=4 17366 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [1,0,0,1,0,0|1,0,1]=4 17367 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [1,0,0,1,0,0|1,0,1]=4 17368 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [1,0,0,1,0,0|1,0,1]=4 17369 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [1,0,0,1,0,0|1,0,1]=4 17370 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [1,0,0,1,0,0|2,0,0]=4 17371 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [1,0,0,1,0,0|2,0,0]=4 17372 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [1,0,0,1,0,0|2,0,0]=4 17373 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [1,0,0,1,0,0|2,0,0]=4 17374 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [1,0,0,1,0,0|2,0,0]=4 17375 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [1,0,0,1,0,0|1,0,1]=4 17376 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [1,0,0,1,0,0|1,0,1]=4 17377 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [1,0,0,1,0,0|1,0,1]=4 17378 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [1,0,0,1,0,0|1,0,1]=4 17379 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [1,0,0,1,0,0|1,0,1]=4 17380 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [1,0,0,1,0,0|1,0,1]=4 17381 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [1,0,0,1,0,0|2,0,0]=4 17382 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [1,0,0,1,0,0|1,0,1]=4 17383 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [1,0,0,1,0,0|1,0,1]=4 17384 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [1,0,0,1,0,0|1,0,1]=4 17385 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [1,0,0,1,0,0|2,0,0]=4 17386 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,0,0,1,0,0|2,0,0]=4 17387 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,0,0,1,0,0|2,0,0]=4 17388 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,0,0,1,0,0|2,0,0]=4 17389 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,0,0,1,0,0|2,0,0]=4 17390 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [1,0,0,1,0,0|1,0,1]=4 17391 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [1,0,0,1,0,0|1,0,1]=4 17392 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [1,0,0,1,0,0|1,0,1]=4 17393 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [1,0,0,1,0,0|2,0,0]=4 17394 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,1,0,0|2,0,0]=4 17395 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,1,0,0|2,0,0]=4 17396 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,1,0,0|2,0,0]=4 17397 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [1,0,0,1,0,0|1,0,1]=4 17398 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [1,0,0,1,0,0|1,0,1]=4 17399 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,0,0,1,0,0|2,0,0]=4 17400 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,0,0,1,0,0|2,0,0]=4 17401 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [1,0,0,1,0,0|1,0,1]=4 17402 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [1,0,0,1,0,0|1,0,1]=4 17403 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 17404 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|1,0,1]=4 17405 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|1,0,1]=4 17406 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 17407 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|1,0,1]=4 17408 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|1,0,1]=4 17409 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|0,0,1]=3 17410 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|0,0,1]=3 17411 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|0,0,1]=3 17412 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [1,0,0,1,0,0|1,0,1]=4 17413 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [1,0,0,1,0,0|1,0,1]=4 17414 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [1,0,0,1,0,0|1,0,1]=4 17415 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [1,0,0,1,0,0|1,0,1]=4 17416 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [1,0,0,1,0,0|1,0,1]=4 17417 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [1,0,0,1,0,0|1,0,1]=4 17418 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [1,0,0,1,0,0|1,0,1]=4 17419 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [1,0,0,1,0,0|1,0,1]=4 17420 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [1,0,0,1,0,0|1,0,1]=4 17421 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [1,0,0,1,0,0|1,0,1]=4 17422 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [1,0,0,1,0,0|1,0,1]=4 17423 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|0,1,1]=4 17424 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|0,1,1]=4 17425 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 17426 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 17427 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|0,0,1]=3 17428 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|0,0,1]=3 17429 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [1,0,0,1,0,0|1,0,1]=4 17430 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [1,0,0,1,0,0|1,0,1]=4 17431 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [1,0,0,1,0,0|1,0,1]=4 17432 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [1,0,0,1,0,0|1,0,1]=4 17433 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [1,0,0,1,0,0|1,0,1]=4 17434 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|0,1,1]=4 17435 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|0,1,1]=4 17436 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|1,0,1]=4 17437 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|1,0,1]=4 17438 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|0,0,1]=3 17439 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|0,0,1]=3 17440 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|0,0,1]=3 17441 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|0,0,1]=3 17442 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [1,0,0,1,0,0|2,0,0]=4 17443 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [1,0,0,1,0,0|2,0,0]=4 17444 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [1,0,0,1,0,0|2,0,0]=4 17445 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [1,0,0,1,0,0|1,0,1]=4 17446 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [1,0,0,1,0,0|1,0,1]=4 17447 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [1,0,0,1,0,0|1,0,1]=4 17448 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [1,0,0,1,0,0|1,0,1]=4 17449 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [1,0,0,1,0,0|1,0,1]=4 17450 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [1,0,0,1,0,0|1,0,1]=4 17451 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [1,0,0,1,0,0|1,0,1]=4 17452 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [1,0,0,1,0,0|1,0,1]=4 17453 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [1,0,0,1,0,0|1,0,1]=4 17454 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [1,0,0,1,0,0|1,0,1]=4 17455 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [1,0,0,1,0,0|1,0,1]=4 17456 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [1,0,0,1,0,0|2,0,0]=4 17457 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [1,0,0,1,0,0|2,0,0]=4 17458 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [1,0,0,1,0,0|2,0,0]=4 17459 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [1,0,0,1,0,0|2,0,0]=4 17460 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [1,0,0,1,0,0|2,0,0]=4 17461 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [1,0,0,1,0,0|2,0,0]=4 17462 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [1,0,0,1,0,0|2,0,0]=4 17463 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [1,0,0,1,0,0|2,0,0]=4 17464 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [1,0,0,1,0,0|2,0,0]=4 17465 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [1,0,0,1,0,0|2,0,0]=4 17466 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [1,0,0,1,0,0|2,0,0]=4 17467 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [1,0,0,1,0,0|2,0,0]=4 17468 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [1,0,0,1,0,0|2,0,0]=4 17469 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [1,0,0,1,0,0|2,0,0]=4 17470 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [1,0,0,1,0,0|1,0,1]=4 17471 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [1,0,0,1,0,0|1,0,1]=4 17472 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [1,0,0,1,0,0|1,0,1]=4 17473 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [1,0,0,1,0,0|1,0,1]=4 17474 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [1,0,0,1,0,0|1,0,1]=4 17475 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [1,0,0,1,0,0|1,0,1]=4 17476 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [1,0,0,1,0,0|1,0,1]=4 17477 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [1,0,0,1,0,0|1,0,1]=4 17478 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [1,0,0,1,0,0|1,0,1]=4 17479 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [1,0,0,1,0,0|1,0,1]=4 17480 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [1,0,0,1,0,0|1,0,1]=4 17481 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [1,0,0,1,0,0|1,0,1]=4 17482 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [1,0,0,1,0,0|2,0,0]=4 17483 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [1,0,0,1,0,0|1,0,1]=4 17484 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [1,0,0,1,0,0|1,0,1]=4 17485 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [1,0,0,1,0,0|1,0,1]=4 17486 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [1,0,0,1,0,0|1,0,1]=4 17487 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,1,0,0|2,0,0]=4 17488 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,1,0,0|2,0,0]=4 17489 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,1,0,0|2,0,0]=4 17490 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|2,0,0]=4 17491 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|2,0,0]=4 17492 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|2,0,0]=4 17493 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [1,0,0,1,0,0|1,0,1]=4 17494 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,1,0,0|2,0,0]=4 17495 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,1,0,0|2,0,0]=4 17496 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 17497 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 17498 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 17499 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|1,0,1]=4 17500 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 17501 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|0,0,1]=3 17502 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|0,0,1]=3 17503 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|0,0,1]=3 17504 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [1,0,0,1,0,0|1,0,1]=4 17505 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [1,0,0,1,0,0|1,0,1]=4 17506 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [1,0,0,1,0,0|1,0,1]=4 17507 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [1,0,0,1,0,0|1,0,1]=4 17508 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [1,0,0,1,0,0|1,0,1]=4 17509 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [1,0,0,1,0,0|1,0,1]=4 17510 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [1,0,0,1,0,0|1,0,1]=4 17511 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [1,0,0,1,0,0|1,0,1]=4 17512 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [1,0,0,1,0,0|1,0,1]=4 17513 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [1,0,0,1,0,0|1,0,1]=4 17514 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [1,0,0,1,0,0|1,0,1]=4 17515 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [1,0,0,1,0,0|1,0,1]=4 17516 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [1,0,0,1,0,0|1,0,1]=4 17517 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [1,0,0,1,0,0|1,0,1]=4 17518 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [1,0,0,1,0,0|1,0,1]=4 17519 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [1,0,0,1,0,0|1,0,1]=4 17520 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [1,0,0,1,0,0|1,0,1]=4 17521 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [1,0,0,1,0,0|1,0,1]=4 17522 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|0,1,1]=4 17523 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|0,1,1]=4 17524 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 17525 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 17526 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|0,0,1]=3 17527 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|0,0,1]=3 17528 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [1,0,0,1,0,0|1,0,1]=4 17529 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [1,0,0,1,0,0|1,0,1]=4 17530 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [1,0,0,1,0,0|1,0,1]=4 17531 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|0,1,1]=4 17532 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|0,1,1]=4 17533 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [1,0,0,1,0,0|2,0,0]=4 17534 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [1,0,0,1,0,0|2,0,0]=4 17535 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [1,0,0,1,0,0|2,0,0]=4 17536 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [1,0,0,1,0,0|2,0,0]=4 17537 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [1,0,0,1,0,0|2,0,0]=4 17538 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [1,0,0,1,0,0|2,0,0]=4 17539 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [1,0,0,1,0,0|1,0,1]=4 17540 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [1,0,0,1,0,0|1,0,1]=4 17541 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [1,0,0,1,0,0|1,0,1]=4 17542 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [1,0,0,1,0,0|1,0,1]=4 17543 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [1,0,0,1,0,0|1,0,1]=4 17544 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [1,0,0,1,0,0|1,0,1]=4 17545 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [1,0,0,1,0,0|1,0,1]=4 17546 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [1,0,0,1,0,0|1,0,1]=4 17547 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [1,0,0,1,0,0|1,0,1]=4 17548 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [1,0,0,1,0,0|1,0,1]=4 17549 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [1,0,0,1,0,0|1,0,1]=4 17550 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [1,0,0,1,0,0|1,0,1]=4 17551 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [1,0,0,1,0,0|2,0,0]=4 17552 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [1,0,0,1,0,0|2,0,0]=4 17553 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [1,0,0,1,0,0|2,0,0]=4 17554 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [1,0,0,1,0,0|2,0,0]=4 17555 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [1,0,0,1,0,0|2,0,0]=4 17556 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [1,0,0,1,0,0|2,0,0]=4 17557 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [1,0,0,1,0,0|2,0,0]=4 17558 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [1,0,0,1,0,0|2,0,0]=4 17559 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [1,0,0,1,0,0|2,0,0]=4 17560 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [1,0,0,1,0,0|2,0,0]=4 17561 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [1,0,0,1,0,0|2,0,0]=4 17562 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [1,0,0,1,0,0|1,0,1]=4 17563 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [1,0,0,1,0,0|1,0,1]=4 17564 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [1,0,0,1,0,0|1,0,1]=4 17565 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [1,0,0,1,0,0|1,0,1]=4 17566 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [1,0,0,1,0,0|1,0,1]=4 17567 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [1,0,0,1,0,0|1,0,1]=4 17568 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [1,0,0,1,0,0|1,0,1]=4 17569 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [1,0,0,1,0,0|1,0,1]=4 17570 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [1,0,0,1,0,0|1,0,1]=4 17571 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [1,0,0,1,0,0|1,0,1]=4 17572 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [1,0,0,1,0,0|1,0,1]=4 17573 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [1,0,0,1,0,0|1,0,1]=4 17574 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [1,0,0,1,0,0|1,0,1]=4 17575 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [1,0,0,1,0,0|1,0,1]=4 17576 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [1,0,0,1,0,0|1,0,1]=4 17577 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [1,0,0,1,0,0|1,0,1]=4 17578 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [1,0,0,1,0,0|1,0,1]=4 17579 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [1,0,0,1,0,0|1,0,1]=4 17580 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [1,0,0,1,0,0|1,0,1]=4 17581 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [1,0,0,1,0,0|1,0,1]=4 17582 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [1,0,0,1,0,0|1,0,1]=4 17583 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [1,0,0,1,0,0|1,0,1]=4 17584 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [1,0,0,1,0,0|1,0,1]=4 17585 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [1,0,0,1,0,0|1,0,1]=4 17586 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [1,0,0,1,0,0|1,0,1]=4 17587 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [1,0,0,1,0,0|1,0,1]=4 17588 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [1,0,0,1,0,0|1,0,1]=4 17589 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [1,0,0,1,0,0|1,0,1]=4 17590 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [1,0,0,1,0,0|1,0,1]=4 17591 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [1,0,0,1,0,0|1,0,1]=4 17592 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [1,0,0,1,0,0|2,0,0]=4 17593 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [1,0,0,1,0,0|2,0,0]=4 17594 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [1,0,0,1,0,0|2,0,0]=4 17595 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|2,0,0]=4 17596 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|2,0,0]=4 17597 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|2,0,0]=4 17598 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [1,0,0,1,0,0|2,0,0]=4 17599 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [1,0,0,1,0,0|2,0,0]=4 17600 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 17601 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 17602 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|1,0,1]=4 17603 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 17604 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|1,0,1]=4 17605 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 17606 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|0,0,1]=3 17607 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|0,0,1]=3 17608 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|0,0,1]=3 17609 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [1,0,0,1,0,0|1,0,1]=4 17610 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [1,0,0,1,0,0|1,0,1]=4 17611 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|0,1,1]=4 17612 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|0,1,1]=4 17613 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 17614 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 17615 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|0,0,1]=3 17616 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|0,0,1]=3 17617 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|0,1,1]=4 17618 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|0,1,1]=4 17619 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [1,0,0,1,0,0|1,0,1]=4 17620 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [1,0,0,1,0,0|1,0,1]=4 17621 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [1,0,0,1,0,0|1,0,1]=4 17622 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [1,0,0,1,0,0|2,0,0]=4 17623 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [1,0,0,1,0,0|2,0,0]=4 17624 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [1,0,0,1,0,0|2,0,0]=4 17625 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 17626 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|1,0,1]=4 17627 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 17628 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|0,0,1]=3 17629 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|0,0,1]=3 17630 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 17631 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 17632 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|0,0,1]=3 17633 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|0,0,1]=3 17634 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 17635 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 17636 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [1,0,0,1,0,0|2,0,0]=4 17637 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [1,0,0,1,0,0|2,0,0]=4 17638 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [1,0,0,1,0,0|2,0,0]=4 17639 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [1,0,0,1,0,0|2,0,0]=4 17640 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [1,0,0,1,0,0|2,0,0]=4 17641 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [1,0,0,1,0,0|1,0,1]=4 17642 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [1,0,0,1,0,0|1,0,1]=4 17643 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [1,0,0,1,0,0|1,0,1]=4 17644 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [1,0,0,1,0,0|1,0,1]=4 17645 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|1,0,0]=3 17646 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|1,0,0]=3 17647 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [1,0,0,1,0,0|2,0,0]=4 17648 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [1,0,0,1,0,0|2,0,0]=4 17649 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [1,0,0,1,0,0|2,0,0]=4 17650 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [1,0,0,1,0,0|2,0,0]=4 17651 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [1,0,0,1,0,0|2,0,0]=4 17652 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [1,0,0,1,0,0|2,0,0]=4 17653 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [1,0,0,1,0,0|1,0,0]=3 17654 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 17655 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 17656 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 17657 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [1,0,0,1,0,0|2,0,0]=4 17658 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 17659 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 17660 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 17661 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [1,0,0,1,0,0|2,0,0]=4 17662 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 17663 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 17664 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 17665 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [1,0,0,1,0,0|2,0,0]=4 17666 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 17667 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 17668 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 17669 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [1,0,0,1,0,0|2,0,0]=4 17670 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 17671 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 17672 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 17673 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [1,0,0,1,0,0|1,0,1]=4 17674 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [1,0,0,1,0,0|1,0,1]=4 17675 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [1,0,0,1,0,0|2,0,0]=4 17676 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [1,0,0,1,0,0|2,0,0]=4 17677 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [1,0,0,1,0,0|1,0,1]=4 17678 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [1,0,0,1,0,0|1,0,1]=4 17679 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|1,0,0]=3 17680 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|1,0,0]=3 17681 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,0,0,1,0,0|2,0,0]=4 17682 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [1,0,0,1,0,0|2,0,0]=4 17683 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [1,0,0,1,0,0|2,0,0]=4 17684 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [1,0,0,1,0,0|2,0,0]=4 17685 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [1,0,0,1,0,0|2,0,0]=4 17686 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 17687 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 17688 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 17689 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 17690 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [1,0,0,1,0,0|1,0,0]=3 17691 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 17692 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 17693 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 17694 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [1,0,0,1,0,0|2,0,0]=4 17695 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 17696 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 17697 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 17698 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [1,0,0,1,0,0|2,0,0]=4 17699 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [1,0,0,1,0,0|2,0,0]=4 17700 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [1,0,0,1,0,0|2,0,0]=4 17701 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [1,0,0,1,0,0|2,0,0]=4 17702 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [1,0,0,1,0,0|2,0,0]=4 17703 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 17704 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 17705 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 17706 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 17707 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [1,0,0,1,0,0|2,0,0]=4 17708 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [1,0,0,1,0,0|1,0,0]=3 17709 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [1,0,0,1,0,0|1,0,0]=3 17710 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [1,0,0,1,0,0|2,0,0]=4 17711 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [1,0,0,1,0,0|2,0,0]=4 17712 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [1,0,0,1,0,0|2,0,0]=4 17713 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [1,0,0,1,0,0|2,0,0]=4 17714 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [1,0,0,1,0,0|1,0,0]=3 17715 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [1,0,0,1,0,0|2,0,0]=4 17716 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [1,0,0,1,0,0|2,0,0]=4 17717 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [1,0,0,1,0,0|2,0,0]=4 17718 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [1,0,0,1,0,0|2,0,0]=4 17719 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [1,0,0,1,0,0|2,0,0]=4 17720 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|1,0,0]=3 17721 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [1,0,0,1,0,0|2,0,0]=4 17722 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [1,0,0,1,0,0|2,0,0]=4 17723 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 17724 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 17725 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 17726 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [1,0,0,1,0,0|2,0,0]=4 17727 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,0,0,1,0,0|1,0,0]=3 17728 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 17729 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 17730 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 17731 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 17732 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 17733 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 17734 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 17735 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [1,0,0,1,0,0|2,0,0]=4 17736 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 17737 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [1,0,0,1,0,0|2,0,0]=4 17738 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 17739 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 17740 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [1,0,0,1,0,0|2,0,0]=4 17741 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 17742 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 17743 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 17744 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [1,0,0,1,0,0|2,0,0]=4 17745 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [1,0,0,1,0,0|2,0,0]=4 17746 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [1,0,0,1,0,0|2,0,0]=4 17747 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [1,0,0,1,0,0|2,0,0]=4 17748 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [1,0,0,1,0,0|2,0,0]=4 17749 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [1,0,0,1,0,0|2,0,0]=4 17750 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [1,0,0,1,0,0|1,0,0]=3 17751 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [1,0,0,1,0,0|1,0,0]=3 17752 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [1,0,0,1,0,0|1,0,0]=3 17753 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [1,0,0,1,0,0|1,0,0]=3 17754 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [1,0,0,1,0,0|2,0,0]=4 17755 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [1,0,0,1,0,0|2,0,0]=4 17756 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [1,0,0,1,0,0|2,0,0]=4 17757 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [1,0,0,1,0,0|2,0,0]=4 17758 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [1,0,0,1,0,0|2,0,0]=4 17759 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [1,0,0,1,0,0|2,0,0]=4 17760 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [1,0,0,1,0,0|2,0,0]=4 17761 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [1,0,0,1,0,0|2,0,0]=4 17762 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [1,0,0,1,0,0|2,0,0]=4 17763 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [1,0,0,1,0,0|2,0,0]=4 17764 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [1,0,0,1,0,0|2,0,0]=4 17765 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [1,0,0,1,0,0|2,0,0]=4 17766 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [1,0,0,1,0,0|2,0,0]=4 17767 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [1,0,0,1,0,0|2,0,0]=4 17768 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 17769 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 17770 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 17771 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 17772 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [1,0,0,1,0,0|2,0,0]=4 17773 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [1,0,0,1,0,0|1,0,0]=3 17774 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [1,0,0,1,0,0|1,0,0]=3 17775 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [1,0,0,1,0,0|1,0,0]=3 17776 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [1,0,0,1,0,0|2,0,0]=4 17777 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [1,0,0,1,0,0|1,0,0]=3 17778 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [1,0,0,1,0,0|2,0,0]=4 17779 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [1,0,0,1,0,0|1,0,0]=3 17780 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [1,0,0,1,0,0|2,0,0]=4 17781 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [1,0,0,1,0,0|2,0,0]=4 17782 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [1,0,0,1,0,0|2,0,0]=4 17783 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [1,0,0,1,0,0|2,0,0]=4 17784 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [1,0,0,1,0,0|2,0,0]=4 17785 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [1,0,0,1,0,0|2,0,0]=4 17786 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [1,0,0,1,0,0|2,0,0]=4 17787 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [1,0,0,1,0,0|2,0,0]=4 17788 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [1,0,0,1,0,0|2,0,0]=4 17789 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [1,0,0,1,0,0|2,0,0]=4 17790 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [1,0,0,1,0,0|2,0,0]=4 17791 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [1,0,0,1,0,0|2,0,0]=4 17792 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [1,0,0,1,0,0|2,0,0]=4 17793 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [1,0,0,1,0,0|2,0,0]=4 17794 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [1,0,0,1,0,0|2,0,0]=4 17795 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [1,0,0,1,0,0|2,0,0]=4 17796 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [1,0,0,1,0,0|2,0,0]=4 17797 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [1,0,0,1,0,0|2,0,0]=4 17798 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [1,0,0,1,0,0|2,0,0]=4 17799 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [1,0,0,1,0,0|2,0,0]=4 17800 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 17801 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 17802 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 17803 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [1,0,0,1,0,0|2,0,0]=4 17804 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [1,0,0,1,0,0|2,0,0]=4 17805 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [1,0,0,1,0,0|2,0,0]=4 17806 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 17807 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 17808 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 17809 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 17810 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [1,0,0,1,0,0|2,0,0]=4 17811 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [1,0,0,1,0,0|1,0,0]=3 17812 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [1,0,0,1,0,0|1,0,0]=3 17813 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [1,0,0,1,0,0|1,0,0]=3 17814 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [1,0,0,1,0,0|1,0,0]=3 17815 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [1,0,0,1,0,0|1,0,0]=3 17816 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [1,0,0,1,0,0|2,0,0]=4 17817 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [1,0,0,1,0,0|1,0,0]=3 17818 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [1,0,0,1,0,0|1,0,0]=3 17819 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [1,0,0,1,0,0|2,0,0]=4 17820 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [1,0,0,1,0,0|2,0,0]=4 17821 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [1,0,0,1,0,0|2,0,0]=4 17822 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [1,0,0,1,0,0|2,0,0]=4 17823 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [1,0,0,1,0,0|2,0,0]=4 17824 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [1,0,0,1,0,0|2,0,0]=4 17825 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [1,0,0,1,0,0|1,0,1]=4 17826 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [1,0,0,1,0,0|1,0,1]=4 17827 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [1,0,0,1,0,0|1,0,0]=3 17828 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [1,0,0,1,0,0|1,0,0]=3 17829 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [1,0,0,1,0,0|2,0,0]=4 17830 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [1,0,0,1,0,0|2,0,0]=4 17831 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [1,0,0,1,0,0|2,0,0]=4 17832 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [1,0,0,1,0,0|2,0,0]=4 17833 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [1,0,0,1,0,0|1,0,1]=4 17834 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [1,0,0,1,0,0|1,0,1]=4 17835 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [1,0,0,1,0,0|1,0,1]=4 17836 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [1,0,0,1,0,0|1,0,1]=4 17837 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [1,0,0,1,0,0|2,0,0]=4 17838 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [1,0,0,1,0,0|2,0,0]=4 17839 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [1,0,0,1,0,0|2,0,0]=4 17840 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [1,0,0,1,0,0|1,0,0]=3 17841 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [1,0,0,1,0,0|1,0,0]=3 17842 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|2,0,0]=4 17843 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|1,0,0]=3 17844 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|2,0,0]=4 17845 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|2,0,0]=4 17846 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,1,0,0|2,0,0]=4 17847 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|2,0,0]=4 17848 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|2,0,0]=4 17849 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,1,0,1,0,0|2,0,0]=4 17850 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,1,0,1,0,0|2,0,0]=4 17851 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,1,0,1,0,0|2,0,0]=4 17852 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,1,0,1,0,0|2,0,0]=4 17853 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,1,0,1,0,0|2,0,0]=4 17854 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,1,0,1,0,0|2,0,0]=4 17855 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100000211666_100000184674 [0,1,0,1,0,0|1,0,1]=4 17856 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100011220946_100000211423 [0,1,0,1,0,0|1,0,1]=4 17857 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000210193_100000211423 [0,1,0,1,0,0|1,0,1]=4 17858 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000211666_100000210623 [0,1,0,1,0,0|1,0,1]=4 17859 B12R1.32 CC#CC(=O)CC1CCCCC1 1458a_100000763181_100000211423 [0,1,0,1,0,0|1,0,0]=3 17860 B12R1.32 CC#CC(=O)CC1CCCCO1 1458a_100000763181_100000211543 [0,1,0,1,0,0|2,0,0]=4 17861 B12R1.32 CC#CC(=O)CC1CCCOC1 1458a_100000763181_100000741521 [0,1,0,1,0,0|2,0,0]=4 17862 B12R1.32 CC#CC(=O)CC1CCOCC1 1458a_100000763181_100000754603 [0,1,0,1,0,0|2,0,0]=4 17863 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [0,1,0,1,0,0|1,0,0]=3 17864 B12R1.32 CC=CC(=O)CC1CCCCO1 1458a_100000210699_100000211543 [0,1,0,1,0,0|2,0,0]=4 17865 B12R1.32 CC=CC(=O)CC1CCCOC1 1458a_100000210699_100000741521 [0,1,0,1,0,0|2,0,0]=4 17866 B12R1.32 CC=CC(=O)CC1CCOCC1 1458a_100000210699_100000754603 [0,1,0,1,0,0|2,0,0]=4 17867 B12R1.32 CC=CC(=O)NC1CCCCC1 11a_100000182618_100000210699 [0,1,0,1,0,0|2,0,0]=4 17868 B12R1.32 CC=CC(=O)NC1CCCCC1 1626a_100000182618_100000210699 [0,1,0,1,0,0|2,0,0]=4 17869 B12R1.32 CC=CC(=O)NC1CCCCC1 240690a_100000182618_100000210699 [0,1,0,1,0,0|2,0,0]=4 17870 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,1,0,1,0,0|1,0,0]=3 17871 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,1,0,1,0,0|1,0,0]=3 17872 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,1,0,1,0,0|2,0,0]=4 17873 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,1,0,1,0,0|2,0,0]=4 17874 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,1,0,1,0,0|2,0,0]=4 17875 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,1,0,1,0,0|2,0,0]=4 17876 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [0,1,0,1,0,0|2,0,0]=4 17877 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [0,1,0,1,0,0|2,0,0]=4 17878 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [0,1,0,1,0,0|2,0,0]=4 17879 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [0,1,0,1,0,0|2,0,0]=4 17880 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [0,1,0,1,0,0|2,0,0]=4 17881 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [0,1,0,1,0,0|2,0,0]=4 17882 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [0,1,0,1,0,0|2,0,0]=4 17883 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 17884 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 17885 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 17886 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 17887 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 17888 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 17889 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 17890 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 17891 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 17892 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 17893 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 17894 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 17895 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 17896 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 17897 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 17898 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [0,1,0,1,0,0|2,0,0]=4 17899 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [0,1,0,1,0,0|2,0,0]=4 17900 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [0,1,0,1,0,0|2,0,0]=4 17901 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [0,1,0,1,0,0|2,0,0]=4 17902 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 17903 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 17904 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 17905 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 17906 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 17907 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 17908 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [0,1,0,1,0,0|2,0,0]=4 17909 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [0,1,0,1,0,0|2,0,0]=4 17910 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_100015207117_200000210301 [0,1,0,1,0,0|2,0,0]=4 17911 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_106832991635_100000183541 [0,1,0,1,0,0|2,0,0]=4 17912 B12R1.32 CNCC(=O)NC1CCCCC1 34a_100102657272_100000183541 [0,1,0,1,0,0|2,0,0]=4 17913 B12R1.32 CNCC(=O)NC1CCCCC1 7a_106832991635_100000183541 [0,1,0,1,0,0|2,0,0]=4 17914 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,1,0,1,0,0|2,0,0]=4 17915 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,1,0,1,0,0|2,0,0]=4 17916 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,1,0,1,0,0|2,0,0]=4 17917 B12R1.32 CNNC(=O)CC1CCCCC1 22a_100016993582_100000211666 [0,1,0,1,0,0|1,0,0]=3 17918 B12R1.32 CNNC(=O)CC1CCCCO1 22a_100016993582_100000238585 [0,1,0,1,0,0|2,0,0]=4 17919 B12R1.32 CNNC(=O)CC1CCCOC1 22a_100016993582_100000741523 [0,1,0,1,0,0|2,0,0]=4 17920 B12R1.32 CNNC(=O)CC1CCOCC1 22a_100016993582_100000757261 [0,1,0,1,0,0|2,0,0]=4 17921 B12R1.32 CNNC(=O)CN1CCCCC1 22a_100016993582_100000740322 [0,1,0,1,0,0|2,0,0]=4 17922 B12R1.32 CNNC(=O)NC1CCCCC1 273464a_100000182618_100016993582 [0,1,0,1,0,0|2,0,0]=4 17923 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,1,0,1,0,0|0,0,0]=2 17924 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,1,0,1,0,0|1,0,0]=3 17925 B12R1.32 COCC(=O)CC1CCCOC1 1458a_100000210968_100000741521 [0,1,0,1,0,0|1,0,0]=3 17926 B12R1.32 COCC(=O)CC1CCOCC1 1458a_100000210968_100000754603 [0,1,0,1,0,0|1,0,0]=3 17927 B12R1.32 COCC(=O)NC1CCCCC1 11a_100000182618_100000210968 [0,1,0,1,0,0|1,0,0]=3 17928 B12R1.32 COCC(=O)NC1CCCCC1 1626a_100000182618_100000210968 [0,1,0,1,0,0|1,0,0]=3 17929 B12R1.32 COCC(=O)NC1CCCCC1 240690a_100000182618_100000210968 [0,1,0,1,0,0|1,0,0]=3 17930 B12R1.32 COCC(=O)NC1CCCCC1 34a_100138415774_100000183541 [0,1,0,1,0,0|1,0,0]=3 17931 B12R1.32 COCC(=O)NC1CCCCC1 527a_100000182618_100000210968 [0,1,0,1,0,0|1,0,0]=3 17932 B12R1.32 COCC(=O)NC1CCCOC1 11a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 17933 B12R1.32 COCC(=O)NC1CCCOC1 1626a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 17934 B12R1.32 COCC(=O)NC1CCCOC1 240690a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 17935 B12R1.32 COCC(=O)NC1CCCOC1 527a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 17936 B12R1.32 COCC(=O)NC1CCOCC1 11a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 17937 B12R1.32 COCC(=O)NC1CCOCC1 1626a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 17938 B12R1.32 COCC(=O)NC1CCOCC1 240690a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 17939 B12R1.32 COCC(=O)NC1CCOCC1 527a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 17940 B12R1.32 COCC(=O)NC1CCSCC1 11a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 17941 B12R1.32 COCC(=O)NC1CCSCC1 1626a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 17942 B12R1.32 COCC(=O)NC1CCSCC1 240690a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 17943 B12R1.32 COCC(=O)NC1CCSCC1 527a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 17944 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,1,0,1,0,0|1,0,0]=3 17945 B12R1.32 COCN(C)CC1CCCCC1 2230a_100000736448_100000766300 [0,1,0,1,0,0|2,0,0]=4 17946 B12R1.32 COCN(C)CC1CCCCC1 269982a_100000736448_100000766300 [0,1,0,1,0,0|2,0,0]=4 17947 B12R1.32 COC[C@@H](N)CC1CCCCC1 34a_100015184289_200000210301 [0,1,0,1,0,0|1,0,1]=4 17948 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [0,1,0,1,0,0|0,1,0]=3 17949 B12R1.32 CSCC(=O)CC1CCCCO1 1458a_100000184570_100000211543 [0,1,0,1,0,0|1,1,0]=4 17950 B12R1.32 CSCC(=O)CC1CCCOC1 1458a_100000184570_100000741521 [0,1,0,1,0,0|1,1,0]=4 17951 B12R1.32 CSCC(=O)CC1CCOCC1 1458a_100000184570_100000754603 [0,1,0,1,0,0|1,1,0]=4 17952 B12R1.32 CSCC(=O)NC1CCCCC1 11a_100000182618_100000184570 [0,1,0,1,0,0|1,1,0]=4 17953 B12R1.32 CSCC(=O)NC1CCCCC1 1626a_100000182618_100000184570 [0,1,0,1,0,0|1,1,0]=4 17954 B12R1.32 CSCC(=O)NC1CCCCC1 240690a_100000182618_100000184570 [0,1,0,1,0,0|1,1,0]=4 17955 B12R1.32 CSCC(=O)NC1CCCCC1 527a_100000182618_100000184570 [0,1,0,1,0,0|1,1,0]=4 17956 B12R1.32 CSCC(=O)NC1CCCCC1 62a_100000183541_200000210301 [0,1,0,1,0,0|1,1,0]=4 17957 B12R1.32 CSCC(=O)NC1CCCCC1 62a_200000210301_100000183541 [0,1,0,1,0,0|1,1,0]=4 17958 B12R1.32 CSCC(=O)OC1CCCCC1 62a_100000041653_200000210301 [0,1,0,1,0,0|1,1,0]=4 17959 B12R1.32 CSCC(=O)OC1CCCCC1 62a_200000210301_100000041653 [0,1,0,1,0,0|1,1,0]=4 17960 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100000211666_100011214920 [0,1,0,1,0,0|1,0,1]=4 17961 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100051588842_100000211423 [0,1,0,1,0,0|1,0,1]=4 17962 B12R1.32 O=C(C=CBr)CC1CCCCC1 1458a_100016273825_100000211423 [0,1,0,1,0,0|1,0,1]=4 17963 B12R1.32 O=C(C=CCl)CC1CCCCC1 1458a_200016279998_100000211423 [0,1,0,1,0,0|1,0,1]=4 17964 B12R1.32 O=C(C=CI)CC1CCCCC1 1458a_100016256311_100000211423 [0,1,0,1,0,0|1,0,1]=4 17965 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,1,0,1,0,0|1,0,0]=3 17966 B12R1.32 O=C(CCF)CC1CCCCO1 1458a_100000238585_100011217306 [0,1,0,1,0,0|2,0,0]=4 17967 B12R1.32 O=C(CCF)CC1CCCOC1 1458a_100000741523_100011217306 [0,1,0,1,0,0|2,0,0]=4 17968 B12R1.32 O=C(CCF)CC1CCOCC1 1458a_100000757261_100011217306 [0,1,0,1,0,0|2,0,0]=4 17969 B12R1.32 O=C(CCF)CN1CCCCC1 1458a_100000740322_100011217306 [0,1,0,1,0,0|2,0,0]=4 17970 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,1,0,1,0,0|1,0,0]=3 17971 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,1,0,1,0,0|1,0,0]=3 17972 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,1,0,1,0,0|2,0,0]=4 17973 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,1,0,1,0,0|2,0,0]=4 17974 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100000741523_100000211926 [0,1,0,1,0,0|2,0,0]=4 17975 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100011216618_100000741521 [0,1,0,1,0,0|2,0,0]=4 17976 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100000757261_100000211926 [0,1,0,1,0,0|2,0,0]=4 17977 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100011216618_100000754603 [0,1,0,1,0,0|2,0,0]=4 17978 B12R1.32 O=C(CCO)CN1CCCCC1 1458a_100000740322_100000211926 [0,1,0,1,0,0|2,0,0]=4 17979 B12R1.32 O=C(CCO)NC1CCCCC1 240690a_100000182618_100011216618 [0,1,0,1,0,0|2,0,0]=4 17980 B12R1.32 [13CH3]NCC(=O)NC1CCCCC1 2230a_100015207117_200025704644 [0,1,0,1,0,0|2,0,0]=4 17981 B12R1.32 [13CH3]OC[C@@H](N)CC1CCCCC1 34a_100015184289_200025704644 [0,1,0,1,0,0|1,0,1]=4 17982 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_100000183541_200025704644 [0,1,0,1,0,0|1,1,0]=4 17983 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_200025704644_100000183541 [0,1,0,1,0,0|1,1,0]=4 17984 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_100000041653_200025704644 [0,1,0,1,0,0|1,1,0]=4 17985 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_200025704644_100000041653 [0,1,0,1,0,0|1,1,0]=4 17986 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100000211120_100000184674 [0,1,0,1,0,0|1,0,1]=4 17987 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100011220946_100000760354 [0,1,0,1,0,0|1,0,1]=4 17988 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000210193_100000760354 [0,1,0,1,0,0|1,0,1]=4 17989 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000211120_100000210623 [0,1,0,1,0,0|1,0,1]=4 17990 B12R1.51 C=COC(=O)CNC1CCCC1 2230a_100000211070_100000036128 [0,1,0,1,0,0|1,0,1]=4 17991 B12R1.51 C=COC(=O)CNC1CCCC1 34a_100000211070_100000036128 [0,1,0,1,0,0|1,0,1]=4 17992 B12R1.51 C=COC(=O)COC1CCCC1 34a_100000210269_100000036128 [0,1,0,1,0,0|1,0,1]=4 17993 B12R1.51 C=COC(=O)CSC1CCCC1 62a_100000036128_100000179811 [0,1,0,1,0,0|1,0,1]=4 17994 B12R1.51 C=COC(=O)CSC1CCCC1 62a_100011217020_100000036128 [0,1,0,1,0,0|1,0,1]=4 17995 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [0,1,0,1,0,0|1,0,0]=3 17996 B12R1.51 CC#CC(=O)CCN1CCCC1 1458a_100000763181_100000004467 [0,1,0,1,0,0|2,0,0]=4 17997 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [0,1,0,1,0,0|1,0,0]=3 17998 B12R1.51 CC=CC(=O)CCN1CCCC1 1458a_100000210699_100000004467 [0,1,0,1,0,0|2,0,0]=4 17999 B12R1.51 CC=CC(=O)NCC1CCCC1 11a_100000737975_100000210699 [0,1,0,1,0,0|2,0,0]=4 18000 B12R1.51 CC=CC(=O)NCC1CCCC1 1626a_100000737975_100000210699 [0,1,0,1,0,0|2,0,0]=4 18001 B12R1.51 CC=CC(=O)NCC1CCCC1 240690a_100000737975_100000210699 [0,1,0,1,0,0|2,0,0]=4 18002 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,1,0,1,0,0|1,0,0]=3 18003 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,1,0,1,0,0|1,0,0]=3 18004 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,1,0,1,0,0|2,0,0]=4 18005 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [0,1,0,1,0,0|2,0,0]=4 18006 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [0,1,0,1,0,0|2,0,0]=4 18007 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,1,0,1,0,0|2,0,0]=4 18008 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,1,0,1,0,0|2,0,0]=4 18009 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,1,0,1,0,0|2,0,0]=4 18010 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,1,0,1,0,0|2,0,0]=4 18011 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,1,0,1,0,0|2,0,0]=4 18012 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,1,0,1,0,0|2,0,0]=4 18013 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,1,0,1,0,0|2,0,0]=4 18014 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,1,0,1,0,0|2,0,0]=4 18015 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,1,0,1,0,0|2,0,0]=4 18016 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 18017 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 18018 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 18019 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 18020 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 18021 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 18022 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [0,1,0,1,0,0|2,0,0]=4 18023 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [0,1,0,1,0,0|2,0,0]=4 18024 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [0,1,0,1,0,0|2,0,0]=4 18025 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,1,0,1,0,0|2,0,0]=4 18026 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,1,0,1,0,0|2,0,0]=4 18027 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,1,0,1,0,0|2,0,0]=4 18028 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,1,0,1,0,0|2,0,0]=4 18029 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,1,0,1,0,0|2,0,0]=4 18030 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,1,0,1,0,0|2,0,0]=4 18031 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,1,0,1,0,0|2,0,0]=4 18032 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,1,0,1,0,0|2,0,0]=4 18033 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,1,0,1,0,0|2,0,0]=4 18034 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,1,0,1,0,0|2,0,0]=4 18035 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,1,0,1,0,0|2,0,0]=4 18036 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 18037 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 18038 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 18039 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 18040 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 18041 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 18042 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,1,0,1,0,0|1,0,0]=3 18043 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,1,0,1,0,0|1,0,0]=3 18044 B12R1.51 CCOC(=O)CCN1CCSC1 2230a_100011215254_100011206558 [0,1,0,1,0,0|2,0,0]=4 18045 B12R1.51 CCOC(=O)CCN1CCSC1 269982a_100011215254_100011206558 [0,1,0,1,0,0|2,0,0]=4 18046 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,1,0,1,0,0|1,0,0]=3 18047 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,1,0,1,0,0|1,0,0]=3 18048 B12R1.51 CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000188475 [0,1,0,1,0,0|2,0,0]=4 18049 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000188475 [0,1,0,1,0,0|2,0,0]=4 18050 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000188475 [0,1,0,1,0,0|2,0,0]=4 18051 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,1,0,1,0,0|1,0,0]=3 18052 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,1,0,1,0,0|1,0,0]=3 18053 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,1,0,1,0,0|2,0,0]=4 18054 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [0,1,0,1,0,0|2,0,0]=4 18055 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [0,1,0,1,0,0|2,0,0]=4 18056 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,1,0,1,0,0|1,0,0]=3 18057 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,1,0,1,0,0|1,0,0]=3 18058 B12R1.51 CCOC(=O)CSC1CCOC1 62a_100000188475_100000690089 [0,1,0,1,0,0|2,0,0]=4 18059 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [0,1,0,1,0,0|1,0,0]=3 18060 B12R1.51 CNNC(=O)CCC1CCCO1 22a_100016993582_100011247709 [0,1,0,1,0,0|2,0,0]=4 18061 B12R1.51 CNNC(=O)CCN1CCCC1 22a_100016993582_100000738983 [0,1,0,1,0,0|2,0,0]=4 18062 B12R1.51 CNNC(=O)COC1CCCC1 22a_100016993582_100000741352 [0,1,0,1,0,0|2,0,0]=4 18063 B12R1.51 CNNC(=O)NCC1CCCC1 273464a_100000737975_100016993582 [0,1,0,1,0,0|2,0,0]=4 18064 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100000737975_100016993582 [0,1,0,1,0,0|2,0,0]=4 18065 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100016993582_100000737975 [0,1,0,1,0,0|2,0,0]=4 18066 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,1,0,1,0,0|0,0,0]=2 18067 B12R1.51 COCC(=O)CCC1OCCO1 1458a_100000210968_100000740749 [0,1,0,1,0,0|2,0,0]=4 18068 B12R1.51 COCC(=O)CCN1CCCC1 1458a_100000210968_100000004467 [0,1,0,1,0,0|1,0,0]=3 18069 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,1,0,1,0,0|1,0,0]=3 18070 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,1,0,1,0,0|1,0,0]=3 18071 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,1,0,1,0,0|1,0,0]=3 18072 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,1,0,1,0,0|1,0,0]=3 18073 B12R1.51 COCC(=O)NCC1CCOC1 11a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 18074 B12R1.51 COCC(=O)NCC1CCOC1 1626a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 18075 B12R1.51 COCC(=O)NCC1CCOC1 240690a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 18076 B12R1.51 COCC(=O)NCC1CCOC1 527a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 18077 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 18078 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 18079 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 18080 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 18081 B12R1.51 COCC(=O)NNC1CCCC1 22a_100000737850_100000210968 [0,1,0,1,0,0|2,0,0]=4 18082 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,1,0,1,0,0|0,1,0]=3 18083 B12R1.51 CSCC(=O)CCN1CCCC1 1458a_100000184570_100000004467 [0,1,0,1,0,0|1,1,0]=4 18084 B12R1.51 CSCC(=O)NCC1CCCC1 11a_100000737975_100000184570 [0,1,0,1,0,0|1,1,0]=4 18085 B12R1.51 CSCC(=O)NCC1CCCC1 1626a_100000737975_100000184570 [0,1,0,1,0,0|1,1,0]=4 18086 B12R1.51 CSCC(=O)NCC1CCCC1 240690a_100000737975_100000184570 [0,1,0,1,0,0|1,1,0]=4 18087 B12R1.51 CSCC(=O)NCC1CCCC1 527a_100000737975_100000184570 [0,1,0,1,0,0|1,1,0]=4 18088 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100000211120_100011214920 [0,1,0,1,0,0|1,0,1]=4 18089 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100051588842_100000760354 [0,1,0,1,0,0|1,0,1]=4 18090 B12R1.51 O=C(C=CBr)CCC1CCCC1 1458a_100016273825_100000760354 [0,1,0,1,0,0|1,0,1]=4 18091 B12R1.51 O=C(C=CCl)CCC1CCCC1 1458a_200016279998_100000760354 [0,1,0,1,0,0|1,0,1]=4 18092 B12R1.51 O=C(C=CI)CCC1CCCC1 1458a_100016256311_100000760354 [0,1,0,1,0,0|1,0,1]=4 18093 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,1,0,1,0,0|1,0,0]=3 18094 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,1,0,1,0,0|2,0,0]=4 18095 B12R1.51 O=C(CCF)CCN1CCCC1 1458a_100000738983_100011217306 [0,1,0,1,0,0|2,0,0]=4 18096 B12R1.51 O=C(CCF)COC1CCCC1 1458a_100000741352_100011217306 [0,1,0,1,0,0|2,0,0]=4 18097 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,1,0,1,0,0|1,0,0]=3 18098 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,1,0,1,0,0|1,0,0]=3 18099 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,1,0,1,0,0|2,0,0]=4 18100 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100000738983_100000211926 [0,1,0,1,0,0|2,0,0]=4 18101 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100011216618_100000004467 [0,1,0,1,0,0|2,0,0]=4 18102 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,1,0,1,0,0|2,0,0]=4 18103 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,1,0,1,0,0|2,0,0]=4 18104 B12R1.51 O=C(CNC1CCCC1)NCO 2230a_100000211070_100000185155 [0,1,0,1,0,0|2,0,0]=4 18105 B12R1.51 O=C(CNC1CCCC1)NCO 34a_100000211070_100000185155 [0,1,0,1,0,0|2,0,0]=4 18106 B12R1.51 O=C(COC1CCCC1)NCO 34a_100000210269_100000185155 [0,1,0,1,0,0|2,0,0]=4 18107 B12R1.51 O=C(COC1CCCC1)NCO 7a_100000210269_100000185155 [0,1,0,1,0,0|2,0,0]=4 18108 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100000185155_100000179811 [0,1,0,1,0,0|2,0,0]=4 18109 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100011217020_100000185155 [0,1,0,1,0,0|2,0,0]=4 18110 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [0,1,0,1,0,0|2,0,0]=4 18111 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [0,1,0,1,0,0|2,0,0]=4 18112 B12R1.308 C#CCC(=O)C1CCCCC1C 1458a_100011215568_100000184674 [0,1,0,1,0,0|1,0,1]=4 18113 B12R1.308 C=CCC(=O)C1CCCCC1C 1458a_100011215568_100000210623 [0,1,0,1,0,0|1,0,1]=4 18114 B12R1.308 CC1CCCCC1C(=O)CC#N 1458a_100011215568_100011214920 [0,1,0,1,0,0|1,0,1]=4 18115 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,1,0,1,0,0|1,0,0]=3 18116 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,1,0,1,0,0|1,0,0]=3 18117 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,1,0,1,0,0|2,0,0]=4 18118 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_100000182743_200025704644 [0,1,0,1,0,0|1,1,0]=4 18119 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000182743 [0,1,0,1,0,0|1,1,0]=4 18120 B12R1.308 CC=CC(=O)N1CCCCC1C 11a_100000211376_100000210699 [0,1,0,1,0,0|2,0,0]=4 18121 B12R1.308 CC=CC(=O)N1CCCCC1C 1626a_100000211376_100000210699 [0,1,0,1,0,0|2,0,0]=4 18122 B12R1.308 CC=CC(=O)N1CCCCC1C 240690a_100000211376_100000210699 [0,1,0,1,0,0|2,0,0]=4 18123 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,1,0,1,0,0|1,0,0]=3 18124 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,1,0,1,0,0|2,0,0]=4 18125 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,1,0,1,0,0|2,0,0]=4 18126 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,1,0,1,0,0|2,0,0]=4 18127 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,1,0,1,0,0|2,0,0]=4 18128 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,1,0,1,0,0|2,0,0]=4 18129 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [0,1,0,1,0,0|2,0,0]=4 18130 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 18131 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 18132 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 18133 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,1,0,1,0,0|2,0,0]=4 18134 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,1,0,1,0,0|2,0,0]=4 18135 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 18136 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 18137 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 18138 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,1,0,1,0,0|1,0,0]=3 18139 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,1,0,1,0,0|1,0,0]=3 18140 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,1,0,1,0,0|1,0,0]=3 18141 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,1,0,1,0,0|1,0,0]=3 18142 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [0,1,0,1,0,0|2,0,0]=4 18143 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [0,1,0,1,0,0|2,0,0]=4 18144 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [0,1,0,1,0,0|2,0,0]=4 18145 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [0,1,0,1,0,0|2,0,0]=4 18146 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [0,1,0,1,0,0|2,0,0]=4 18147 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [0,1,0,1,0,0|2,0,0]=4 18148 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [0,1,0,1,0,0|2,0,0]=4 18149 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [0,1,0,1,0,0|2,0,0]=4 18150 B12R1.308 CN1CCCC[C@@H]1C(=O)CCF 1458a_100000767060_100011217306 [0,1,0,1,0,0|2,0,0]=4 18151 B12R1.308 CN1CCCC[C@@H]1C(=O)CCO 1458a_100000767060_100000211926 [0,1,0,1,0,0|2,0,0]=4 18152 B12R1.308 CNCC(=O)N1CCCCC1C 2230a_106832991635_100000182743 [0,1,0,1,0,0|2,0,0]=4 18153 B12R1.308 CNCC(=O)N1CCCCC1C 34a_100102657272_100000182743 [0,1,0,1,0,0|2,0,0]=4 18154 B12R1.308 CNCC(=O)N1CCCCC1C 7a_106832991635_100000182743 [0,1,0,1,0,0|2,0,0]=4 18155 B12R1.308 CNNC(=O)C1CCCCC1C 22a_100016993582_100011215568 [0,1,0,1,0,0|1,0,0]=3 18156 B12R1.308 CNNC(=O)C1CCCCC1O 22a_100016993582_100011803323 [0,1,0,1,0,0|2,0,0]=4 18157 B12R1.308 CNNC(=O)[C@H]1CCCCN1C 22a_100016993582_100000767060 [0,1,0,1,0,0|2,0,0]=4 18158 B12R1.308 COCC(=O)C1CCCCC1=O 1458a_100000210968_100000204591 [0,1,0,1,0,0|1,0,1]=4 18159 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,1,0,1,0,0|1,0,0]=3 18160 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,1,0,1,0,0|1,0,0]=3 18161 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,1,0,1,0,0|1,0,0]=3 18162 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,1,0,1,0,0|1,0,0]=3 18163 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,1,0,1,0,0|1,0,0]=3 18164 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 18165 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 18166 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 18167 B12R1.308 CSCC(=O)N1CCCCC1C 11a_100000211376_100000184570 [0,1,0,1,0,0|1,1,0]=4 18168 B12R1.308 CSCC(=O)N1CCCCC1C 1626a_100000211376_100000184570 [0,1,0,1,0,0|1,1,0]=4 18169 B12R1.308 CSCC(=O)N1CCCCC1C 240690a_100000211376_100000184570 [0,1,0,1,0,0|1,1,0]=4 18170 B12R1.308 CSCC(=O)N1CCCCC1C 527a_100000211376_100000184570 [0,1,0,1,0,0|1,1,0]=4 18171 B12R1.308 CSCC(=O)N1CCCCC1C 62a_100000182743_200000210301 [0,1,0,1,0,0|1,1,0]=4 18172 B12R1.308 CSCC(=O)N1CCCCC1C 62a_200000210301_100000182743 [0,1,0,1,0,0|1,1,0]=4 18173 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,1,0,1,0,0|2,0,0]=4 18174 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,1,0,1,0,0|2,0,0]=4 18175 B12R1.310 C=COC(=O)CNCCC1CC1 34a_100000764129_100000036128 [0,1,0,1,0,0|1,0,1]=4 18176 B12R1.310 C=COC(=O)COCCC1CC1 34a_100000754188_100000036128 [0,1,0,1,0,0|1,0,1]=4 18177 B12R1.310 C=COC(=O)CSCCC1CC1 62a_100000036128_100000764125 [0,1,0,1,0,0|1,0,1]=4 18178 B12R1.310 C=COC(=O)CSCCC1CC1 62a_100000764125_100000036128 [0,1,0,1,0,0|1,0,1]=4 18179 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,1,0,1,0,0|2,0,0]=4 18180 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,1,0,1,0,0|2,0,0]=4 18181 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,1,0,1,0,0|2,0,0]=4 18182 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [0,1,0,1,0,0|2,0,0]=4 18183 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [0,1,0,1,0,0|2,0,0]=4 18184 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [0,1,0,1,0,0|2,0,0]=4 18185 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [0,1,0,1,0,0|2,0,0]=4 18186 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [0,1,0,1,0,0|2,0,0]=4 18187 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [0,1,0,1,0,0|2,0,0]=4 18188 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [0,1,0,1,0,0|2,0,0]=4 18189 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,1,0,1,0,0|2,0,0]=4 18190 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,1,0,1,0,0|2,0,0]=4 18191 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [0,1,0,1,0,0|2,0,0]=4 18192 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [0,1,0,1,0,0|2,0,0]=4 18193 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [0,1,0,1,0,0|1,0,0]=3 18194 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [0,1,0,1,0,0|1,0,0]=3 18195 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [0,1,0,1,0,0|1,0,0]=3 18196 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [0,1,0,1,0,0|1,0,0]=3 18197 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [0,1,0,1,0,0|1,0,0]=3 18198 B12R1.310 CCOC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000765890 [0,1,0,1,0,0|2,0,0]=4 18199 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [0,1,0,1,0,0|1,0,0]=3 18200 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [0,1,0,1,0,0|1,0,0]=3 18201 B12R1.310 CCOC(=O)CCSCC1CO1 62a_100000765890_102125554688 [0,1,0,1,0,0|2,0,0]=4 18202 B12R1.310 CCOC(=O)CCSCC1CO1 62a_102125554688_100000765890 [0,1,0,1,0,0|2,0,0]=4 18203 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000031435_100000765890 [0,1,0,1,0,0|2,0,0]=4 18204 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000765890_100000031435 [0,1,0,1,0,0|2,0,0]=4 18205 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000765890 [0,1,0,1,0,0|2,0,0]=4 18206 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000765890_100000745022 [0,1,0,1,0,0|2,0,0]=4 18207 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [0,1,0,1,0,0|1,0,0]=3 18208 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,1,0,1,0,0|1,0,0]=3 18209 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,1,0,1,0,0|1,0,0]=3 18210 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [0,1,0,1,0,0|2,0,0]=4 18211 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [0,1,0,1,0,0|1,0,0]=3 18212 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [0,1,0,1,0,0|1,0,0]=3 18213 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000188475_100000732470 [0,1,0,1,0,0|2,0,0]=4 18214 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000732470_100000188475 [0,1,0,1,0,0|2,0,0]=4 18215 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [0,1,0,1,0,0|2,0,0]=4 18216 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [0,1,0,1,0,0|2,0,0]=4 18217 B12R1.310 O=C(CNCCC1CC1)NCO 34a_100000764129_100000185155 [0,1,0,1,0,0|2,0,0]=4 18218 B12R1.310 O=C(COCCC1CC1)NCO 34a_100000754188_100000185155 [0,1,0,1,0,0|2,0,0]=4 18219 B12R1.310 O=C(COCCC1CC1)NCO 7a_100000754188_100000185155 [0,1,0,1,0,0|2,0,0]=4 18220 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000185155_100000764125 [0,1,0,1,0,0|2,0,0]=4 18221 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000764125_100000185155 [0,1,0,1,0,0|2,0,0]=4 18222 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,1,0,1,0,0|1,0,1]=4 18223 B12R1.311 CCCC(C)COC1CCC1=O 34a_100000688023_100009892977 [0,1,0,1,0,0|2,0,0]=4 18224 B12R1.311 CCCC(C)COC1CCC1=O 7a_100000688023_100009892977 [0,1,0,1,0,0|2,0,0]=4 18225 B12R1.311 CCCC(C)CSC1CCC1=O 62a_100009892977_100011216630 [0,1,0,1,0,0|2,0,0]=4 18226 B12R1.311 CCCC(C)CSC1CCC1=O 62a_100011216630_100009892977 [0,1,0,1,0,0|2,0,0]=4 18227 B12R1.311 CCCN(C)CCC1CCC1=O 2230a_100000747261_200016118888 [0,1,0,1,0,0|2,0,0]=4 18228 B12R1.311 CCCN(C)CCC1CCC1=O 269982a_100000747261_200016118888 [0,1,0,1,0,0|2,0,0]=4 18229 B12R1.311 CCC[C@H](N)COC1CCC1=O 34a_100000732646_100009892977 [0,1,0,1,0,0|2,0,0]=4 18230 B12R1.311 CCNC(=O)CCN1CCC1C 269982a_100000755817_100000737597 [0,1,0,1,0,0|2,0,0]=4 18231 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [0,1,0,1,0,0|1,0,0]=3 18232 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [0,1,0,1,0,0|1,0,0]=3 18233 B12R1.311 COCC(=O)CCC1CCC1=O 1458a_100000210968_200016118888 [0,1,0,1,0,0|1,0,1]=4 18234 B12R1.315 C=COC(=O)CNCC1CCC1 2230a_100000738700_100000036128 [0,1,0,1,0,0|1,0,1]=4 18235 B12R1.315 C=COC(=O)CNCC1CCC1 34a_100000738700_100000036128 [0,1,0,1,0,0|1,0,1]=4 18236 B12R1.315 C=COC(=O)COCC1CCC1 34a_100000760304_100000036128 [0,1,0,1,0,0|1,0,1]=4 18237 B12R1.315 C=COC(=O)CSCC1CCC1 62a_100000036128_100000763275 [0,1,0,1,0,0|1,0,1]=4 18238 B12R1.315 C=COC(=O)CSCC1CCC1 62a_100000763275_100000036128 [0,1,0,1,0,0|1,0,1]=4 18239 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,1,0,1,0,0|2,0,0]=4 18240 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,1,0,1,0,0|2,0,0]=4 18241 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,1,0,1,0,0|2,0,0]=4 18242 B12R1.315 CCNC(=O)CCNC1CCC1 2230a_100000749019_100000737597 [0,1,0,1,0,0|2,0,0]=4 18243 B12R1.315 CCNC(=O)CCNC1CCC1 270004a_100025743525_100000241760 [0,1,0,1,0,0|2,0,0]=4 18244 B12R1.315 CCNC(=O)CCNC1CCC1 34a_100025743525_100000749161 [0,1,0,1,0,0|2,0,0]=4 18245 B12R1.315 CCNC(=O)CCSC1CCC1 62a_100000737597_100000749161 [0,1,0,1,0,0|2,0,0]=4 18246 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [0,1,0,1,0,0|2,0,0]=4 18247 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [0,1,0,1,0,0|2,0,0]=4 18248 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [0,1,0,1,0,0|2,0,0]=4 18249 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [0,1,0,1,0,0|2,0,0]=4 18250 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [0,1,0,1,0,0|2,0,0]=4 18251 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [0,1,0,1,0,0|2,0,0]=4 18252 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [0,1,0,1,0,0|1,0,0]=3 18253 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [0,1,0,1,0,0|1,0,0]=3 18254 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [0,1,0,1,0,0|1,0,0]=3 18255 B12R1.315 CCOC(=O)CCNC1COC1 2230a_100016991112_100011206558 [0,1,0,1,0,0|2,0,0]=4 18256 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [0,1,0,1,0,0|1,0,0]=3 18257 B12R1.315 CCOC(=O)CCOC1CSC1 7a_100000072292_100011206558 [0,1,0,1,0,0|2,0,0]=4 18258 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [0,1,0,1,0,0|1,0,0]=3 18259 B12R1.315 CCOC(=O)CCSC1COC1 62a_100000765890_100009818527 [0,1,0,1,0,0|2,0,0]=4 18260 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [0,1,0,1,0,0|1,0,0]=3 18261 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [0,1,0,1,0,0|1,0,0]=3 18262 B12R1.315 CCOC(=O)CNCC1COC1 2230a_100015281925_100000188475 [0,1,0,1,0,0|2,0,0]=4 18263 B12R1.315 CCOC(=O)CNCC1COC1 34a_100015281925_100000188475 [0,1,0,1,0,0|2,0,0]=4 18264 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000188475 [0,1,0,1,0,0|2,0,0]=4 18265 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000188475 [0,1,0,1,0,0|2,0,0]=4 18266 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [0,1,0,1,0,0|1,0,0]=3 18267 B12R1.315 CCOC(=O)COCC1CCO1 34a_100000039022_100000188475 [0,1,0,1,0,0|2,0,0]=4 18268 B12R1.315 CCOC(=O)COCC1CNC1 34a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 18269 B12R1.315 CCOC(=O)COCC1COC1 34a_100000060846_100000188475 [0,1,0,1,0,0|2,0,0]=4 18270 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [0,1,0,1,0,0|1,0,0]=3 18271 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [0,1,0,1,0,0|1,0,0]=3 18272 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000103362_100000188475 [0,1,0,1,0,0|2,0,0]=4 18273 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000188475_100000103362 [0,1,0,1,0,0|2,0,0]=4 18274 B12R1.315 CCOC(=O)CSCC1COC1 62a_100000188475_100010264016 [0,1,0,1,0,0|2,0,0]=4 18275 B12R1.315 CCOC(=O)CSCC1COC1 62a_100010264016_100000188475 [0,1,0,1,0,0|2,0,0]=4 18276 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [0,1,0,1,0,0|2,0,0]=4 18277 B12R1.315 COCC(=O)NCCN1CCC1 240690a_100000691440_100000210968 [0,1,0,1,0,0|2,0,0]=4 18278 B12R1.315 COCC(=O)NNCC1CCC1 22a_200020586977_100000210968 [0,1,0,1,0,0|2,0,0]=4 18279 B12R1.315 O=C(CNCC1CCC1)NCO 2230a_100000738700_100000185155 [0,1,0,1,0,0|2,0,0]=4 18280 B12R1.315 O=C(CNCC1CCC1)NCO 34a_100000738700_100000185155 [0,1,0,1,0,0|2,0,0]=4 18281 B12R1.315 O=C(COCC1CCC1)NCO 34a_100000760304_100000185155 [0,1,0,1,0,0|2,0,0]=4 18282 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000185155_100000763275 [0,1,0,1,0,0|2,0,0]=4 18283 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000763275_100000185155 [0,1,0,1,0,0|2,0,0]=4 18284 B12R1.316 CC=CC(=O)N1CCCC1CC 11a_100000754278_100000210699 [0,1,0,1,0,0|2,0,0]=4 18285 B12R1.316 CC=CC(=O)N1CCCC1CC 1626a_100000754278_100000210699 [0,1,0,1,0,0|2,0,0]=4 18286 B12R1.316 CC=CC(=O)N1CCCC1CC 240690a_100000754278_100000210699 [0,1,0,1,0,0|2,0,0]=4 18287 B12R1.316 CCC1CCCN1C(=O)CCO 240690a_100000754278_100011216618 [0,1,0,1,0,0|2,0,0]=4 18288 B12R1.316 CCC1CCCN1C(=O)COC 11a_100000754278_100000210968 [0,1,0,1,0,0|1,0,0]=3 18289 B12R1.316 CCC1CCCN1C(=O)COC 1626a_100000754278_100000210968 [0,1,0,1,0,0|1,0,0]=3 18290 B12R1.316 CCC1CCCN1C(=O)COC 240690a_100000754278_100000210968 [0,1,0,1,0,0|1,0,0]=3 18291 B12R1.316 CCC1CCCN1C(=O)COC 527a_100000754278_100000210968 [0,1,0,1,0,0|1,0,0]=3 18292 B12R1.316 CCC1CCCN1C(=O)CSC 11a_100000754278_100000184570 [0,1,0,1,0,0|1,1,0]=4 18293 B12R1.316 CCC1CCCN1C(=O)CSC 1626a_100000754278_100000184570 [0,1,0,1,0,0|1,1,0]=4 18294 B12R1.316 CCC1CCCN1C(=O)CSC 240690a_100000754278_100000184570 [0,1,0,1,0,0|1,1,0]=4 18295 B12R1.316 CCC1CCCN1C(=O)CSC 527a_100000754278_100000184570 [0,1,0,1,0,0|1,1,0]=4 18296 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [0,1,0,1,0,0|2,0,0]=4 18297 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [0,1,0,1,0,0|2,0,0]=4 18298 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [0,1,0,1,0,0|2,0,0]=4 18299 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [0,1,0,1,0,0|2,0,0]=4 18300 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [0,1,0,1,0,0|2,0,0]=4 18301 B12R1.316 CCN1CCCC1C(=O)CCF 1458a_106256033941_100011217306 [0,1,0,1,0,0|2,0,0]=4 18302 B12R1.316 CCN1CCCC1C(=O)CCO 1458a_106256033941_100000211926 [0,1,0,1,0,0|2,0,0]=4 18303 B12R1.316 CCN1CCCC1C(=O)NNC 22a_100016993582_106256033941 [0,1,0,1,0,0|2,0,0]=4 18304 B12R1.316 CCNC(=O)C1CCCN1CC 240690a_100015525214_106256033941 [0,1,0,1,0,0|2,0,0]=4 18305 B12R1.316 CCNC(=O)C1CCCN1CC 527a_100015525214_106256033941 [0,1,0,1,0,0|2,0,0]=4 18306 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [0,1,0,1,0,0|2,0,0]=4 18307 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [0,1,0,1,0,0|2,0,0]=4 18308 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 2230a_100020641767_100000210202 [0,1,0,1,0,0|2,0,0]=4 18309 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 269982a_100020641767_100000204670 [0,1,0,1,0,0|2,0,0]=4 18310 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 34a_100020641767_100000210202 [0,1,0,1,0,0|2,0,0]=4 18311 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [0,1,0,1,0,0|1,0,0]=3 18312 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [0,1,0,1,0,0|1,0,0]=3 18313 B12R1.316 CCOC(=O)[C@@H]1CCCN1CF 269982a_100000703725_100015361967 [0,1,0,1,0,0|2,0,0]=4 18314 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [0,1,0,1,0,0|1,0,0]=3 18315 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [0,1,0,1,0,0|1,0,0]=3 18316 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC 269982a_100016989239_100000204670 [0,1,0,1,0,0|2,0,0]=4 18317 B12R1.316 COCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210968 [0,1,0,1,0,0|2,0,0]=4 18318 B12R1.316 COCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210968 [0,1,0,1,0,0|2,0,0]=4 18319 B12R1.318 C=COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000036128 [0,1,0,1,0,0|1,0,1]=4 18320 B12R1.318 C=COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000036128 [0,1,0,1,0,0|1,0,1]=4 18321 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000036128 [0,1,0,1,0,0|1,0,1]=4 18322 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000036128 [0,1,0,1,0,0|1,0,1]=4 18323 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000036128 [0,1,0,1,0,0|1,0,1]=4 18324 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [0,1,0,1,0,0|2,0,0]=4 18325 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [0,1,0,1,0,0|2,0,0]=4 18326 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [0,1,0,1,0,0|2,0,0]=4 18327 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [0,1,0,1,0,0|2,0,0]=4 18328 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [0,1,0,1,0,0|2,0,0]=4 18329 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [0,1,0,1,0,0|2,0,0]=4 18330 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 18331 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 18332 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 18333 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,1,0,1,0,0|1,0,0]=3 18334 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,1,0,1,0,0|1,0,0]=3 18335 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,1,0,1,0,0|1,0,0]=3 18336 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,1,0,1,0,0|1,0,0]=3 18337 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,1,0,1,0,0|1,0,0]=3 18338 B12R1.318 CCOC(=O)CN1CCSC1C 2230a_200011216479_100000188475 [0,1,0,1,0,0|2,0,0]=4 18339 B12R1.318 CCOC(=O)CN1CCSC1C 269982a_200011216479_100000188475 [0,1,0,1,0,0|2,0,0]=4 18340 B12R1.318 CCOC(=O)CN1CCSC1C 34a_200011216479_100000188475 [0,1,0,1,0,0|2,0,0]=4 18341 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210968 [0,1,0,1,0,0|2,0,0]=4 18342 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210968 [0,1,0,1,0,0|2,0,0]=4 18343 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 2230a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 18344 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 269982a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 18345 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 34a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 18346 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 2230a_100020605311_100000185155 [0,1,0,1,0,0|2,0,0]=4 18347 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 269982a_100020605311_100000185155 [0,1,0,1,0,0|2,0,0]=4 18348 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,1,0,1,0,0|2,0,0]=4 18349 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,1,0,1,0,0|2,0,0]=4 18350 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,1,0,1,0,0|2,0,0]=4 18351 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,1,0,1,0,0|2,0,0]=4 18352 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,1,0,1,0,0|2,0,0]=4 18353 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,1,0,1,0,0|1,0,0]=3 18354 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,1,0,1,0,0|1,0,0]=3 18355 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,1,0,1,0,0|1,0,0]=3 18356 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,1,0,1,0,0|2,0,0]=4 18357 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,1,0,1,0,0|2,0,0]=4 18358 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,1,0,1,0,0|2,0,0]=4 18359 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,1,0,1,0,0|1,0,0]=3 18360 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,1,0,1,0,0|1,0,0]=3 18361 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,1,0,1,0,0|2,0,0]=4 18362 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,1,0,1,0,0|2,0,0]=4 18363 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,1,0,1,0,0|2,0,0]=4 18364 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,1,0,1,0,0|1,0,0]=3 18365 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,1,0,1,0,0|1,0,0]=3 18366 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,1,0,1,0,0|2,0,0]=4 18367 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,1,0,1,0,0|2,0,0]=4 18368 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,1,0,1,0,0|2,0,0]=4 18369 B12R1.372 CCOCCN[C@@H]1CONC1=O 2230a_100000765999_100011215890 [0,1,0,1,0,0|2,0,0]=4 18370 B12R1.372 CCOCCN[C@@H]1CONC1=O 34a_100000765999_100000210147 [0,1,0,1,0,0|2,0,0]=4 18371 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,1,0,1,0,0|2,0,0]=4 18372 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,1,0,1,0,0|2,0,0]=4 18373 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,1,0,1,0,0|2,0,0]=4 18374 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,1,0,1,0,0|2,0,0]=4 18375 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,1,0,1,0,0|2,0,0]=4 18376 B12R1.372 CCSCCN[C@@H]1CONC1=O 2230a_100000765999_100000757381 [0,1,0,1,0,0|2,0,0]=4 18377 B12R1.372 CCSCCN[C@@H]1CONC1=O 34a_100000765999_100000757381 [0,1,0,1,0,0|2,0,0]=4 18378 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,1,0,1,0,0|2,0,0]=4 18379 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,1,0,1,0,0|2,0,0]=4 18380 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,1,0,1,0,0|2,0,0]=4 18381 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,1,0,1,0,0|2,0,0]=4 18382 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 18383 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [0,1,0,1,0,0|2,0,0]=4 18384 B12R1.372 COCCCN[C@@H]1CONC1=O 2230a_100000765999_100000740836 [0,1,0,1,0,0|2,0,0]=4 18385 B12R1.372 COCCCN[C@@H]1CONC1=O 34a_100000765999_100000740836 [0,1,0,1,0,0|2,0,0]=4 18386 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,1,0,1,0,0|2,0,0]=4 18387 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [0,1,0,1,0,0|2,0,0]=4 18388 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [0,1,0,1,0,0|2,0,0]=4 18389 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [0,1,0,1,0,0|2,0,0]=4 18390 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,1,0,1,0,0|2,0,0]=4 18391 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,1,0,1,0,0|2,0,0]=4 18392 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 18393 B12R1.372 O=C1NOC[C@H]1NCCCCF 2230a_100000765999_100000729493 [0,1,0,1,0,0|2,0,0]=4 18394 B12R1.372 O=C1NOC[C@H]1NCCCCF 34a_100000765999_100000729493 [0,1,0,1,0,0|2,0,0]=4 18395 B12R1.372 O=C1NOC[C@H]1NCCCCO 2230a_100000765999_100000210776 [0,1,0,1,0,0|2,0,0]=4 18396 B12R1.372 O=C1NOC[C@H]1NCCCCO 34a_100000765999_100011216708 [0,1,0,1,0,0|2,0,0]=4 18397 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 18398 B12R1.372 O=C1OCCC1NCCCCO 34a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 18399 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [0,1,0,1,0,0|2,0,0]=4 18400 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [0,1,0,1,0,0|2,0,0]=4 18401 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [0,1,0,1,0,0|2,0,0]=4 18402 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [0,1,0,1,0,0|2,0,0]=4 18403 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [0,1,0,1,0,0|2,0,0]=4 18404 B12R1.372 O=C1OCCC1OCCCCI 34a_200012148704_100000211211 [0,1,0,1,0,0|2,0,0]=4 18405 B12R1.372 O=C1OCCC1SCCCCF 62a_100000211211_100000729493 [0,1,0,1,0,0|2,0,0]=4 18406 B12R1.372 O=C1OCCC1SCCCCF 62a_100000729493_100000211211 [0,1,0,1,0,0|2,0,0]=4 18407 B12R1.372 O=C1OCCC1SCCCCO 62a_100000210776_100000211211 [0,1,0,1,0,0|2,0,0]=4 18408 B12R1.372 O=C1OCCC1SCCCCO 62a_100000211211_100000210776 [0,1,0,1,0,0|2,0,0]=4 18409 B12R1.535 COCC(=O)N1CCC1COC 11a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 18410 B12R1.535 COCC(=O)N1CCC1COC 1626a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 18411 B12R1.535 COCC(=O)N1CCC1COC 240690a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 18412 B12R1.535 COCC(=O)N1CCC1COC 527a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 18413 B12R1.923 C#CCCCCCC(=O)C1CO1 1458a_100000701028_100012094781 [0,1,0,1,0,0|0,0,2]=4 18414 B12R1.923 C=CCCCCCC(=O)C1CO1 1458a_100000701028_100000700193 [0,1,0,1,0,0|0,0,2]=4 18415 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,1,0,1,0,0|1,0,0]=3 18416 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,1,0,1,0,0|0,0,0]=2 18417 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [0,1,0,1,0,0|2,0,0]=4 18418 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [0,1,0,1,0,0|2,0,0]=4 18419 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [0,1,0,1,0,0|2,0,0]=4 18420 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [0,1,0,1,0,0|2,0,0]=4 18421 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,1,0,1,0,0|1,0,0]=3 18422 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,1,0,1,0,0|1,0,0]=3 18423 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,1,0,1,0,0|1,0,0]=3 18424 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,1,0,1,0,0|1,0,0]=3 18425 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [0,1,0,1,0,0|2,0,0]=4 18426 B12R1.923 CCCCCNNC(=O)C1CO1 22a_100000694160_100000701028 [0,1,0,1,0,0|2,0,0]=4 18427 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [0,1,0,1,0,0|2,0,0]=4 18428 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [0,1,0,1,0,0|2,0,0]=4 18429 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [0,1,0,1,0,0|2,0,0]=4 18430 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [0,1,0,1,0,0|2,0,0]=4 18431 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [0,1,0,1,0,0|2,0,0]=4 18432 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [0,1,0,1,0,0|2,0,0]=4 18433 B12R1.923 CCCCOCCC(=O)C1CO1 1458a_100000701028_100000743108 [0,1,0,1,0,0|1,0,0]=3 18434 B12R1.923 CCCOCCNC(=O)C1CO1 1626a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 18435 B12R1.923 CCCOCCNC(=O)C1CO1 240690a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 18436 B12R1.923 CCCOCCNC(=O)C1CO1 527a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 18437 B12R1.923 CCCSCCNC(=O)C1CO1 11a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 18438 B12R1.923 CCCSCCNC(=O)C1CO1 240690a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 18439 B12R1.923 CCCSCCNC(=O)C1CO1 527a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 18440 B12R1.923 CCOCCCNC(=O)C1CO1 11a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 18441 B12R1.923 CCOCCCNC(=O)C1CO1 1626a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 18442 B12R1.923 CCOCCCNC(=O)C1CO1 240690a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 18443 B12R1.923 CCOCCCNC(=O)C1CO1 527a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 18444 B12R1.923 COCCOCCC(=O)C1CO1 1458a_100000701028_100000695917 [0,1,0,1,0,0|2,0,0]=4 18445 B12R1.923 N#CCCCCCC(=O)C1CO1 1458a_100000701028_100009813376 [0,1,0,1,0,0|1,0,1]=4 18446 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [0,1,0,1,0,0|2,0,0]=4 18447 B12R1.923 O=C(CCCCCCF)C1CO1 1458a_100000701028_100015922095 [0,1,0,1,0,0|1,0,0]=3 18448 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [0,1,0,1,0,0|2,0,0]=4 18449 B12R1.923 O=C(CCCCCCO)C1CO1 1458a_100000701028_100000766143 [0,1,0,1,0,0|1,0,0]=3 18450 B12R1.923 O=C(NCCCCCO)C1CO1 240690a_100000762737_100000701028 [0,1,0,1,0,0|2,0,0]=4 18451 B12R1.1505 C=COC(=O)COCC1CC1C 34a_100000744939_100000036128 [0,1,0,1,0,0|1,0,1]=4 18452 B12R1.1505 CC1CC1COCC(=O)NCO 34a_100000744939_100000185155 [0,1,0,1,0,0|2,0,0]=4 18453 B12R1.1505 CC1CC1COCC(=O)NCO 7a_100000744939_100000185155 [0,1,0,1,0,0|2,0,0]=4 18454 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,1,0,1,0,0|2,0,0]=4 18455 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,1,0,1,0,0|2,0,0]=4 18456 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,1,0,1,0,0|2,0,0]=4 18457 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011206558 [0,1,0,1,0,0|2,0,0]=4 18458 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100011206558 [0,1,0,1,0,0|2,0,0]=4 18459 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000765890 [0,1,0,1,0,0|2,0,0]=4 18460 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,1,0,1,0,0|1,0,0]=3 18461 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,1,0,1,0,0|1,0,0]=3 18462 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100000749507_100000184674 [0,1,0,1,0,0|1,0,1]=4 18463 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100011220946_100011217769 [0,1,0,1,0,0|1,0,1]=4 18464 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000210193_100011217769 [0,1,0,1,0,0|1,0,1]=4 18465 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000749507_100000210623 [0,1,0,1,0,0|1,0,1]=4 18466 B12R1.1564 CC#CC(=O)C1CCCCCC1 1458a_100000763181_100011217769 [0,1,0,1,0,0|1,0,0]=3 18467 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,1,0,1,0,0|1,0,0]=3 18468 B12R1.1564 CC=CC(=O)N1CCCCCC1 11a_100000185865_100000210699 [0,1,0,1,0,0|2,0,0]=4 18469 B12R1.1564 CC=CC(=O)N1CCCCCC1 1626a_100000185865_100000210699 [0,1,0,1,0,0|2,0,0]=4 18470 B12R1.1564 CC=CC(=O)N1CCCCCC1 240690a_100000185865_100000210699 [0,1,0,1,0,0|2,0,0]=4 18471 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,1,0,1,0,0|1,0,0]=3 18472 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,1,0,1,0,0|1,0,0]=3 18473 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,1,0,1,0,0|2,0,0]=4 18474 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,1,0,1,0,0|2,0,0]=4 18475 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,1,0,1,0,0|2,0,0]=4 18476 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,1,0,1,0,0|2,0,0]=4 18477 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 18478 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 18479 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 18480 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,1,0,1,0,0|2,0,0]=4 18481 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,1,0,1,0,0|2,0,0]=4 18482 B12R1.1564 CNCC(=O)N1CCCCCC1 2230a_106832991635_100000182869 [0,1,0,1,0,0|2,0,0]=4 18483 B12R1.1564 CNCC(=O)N1CCCCCC1 34a_100102657272_100000182869 [0,1,0,1,0,0|2,0,0]=4 18484 B12R1.1564 CNCC(=O)N1CCCCCC1 7a_106832991635_100000182869 [0,1,0,1,0,0|2,0,0]=4 18485 B12R1.1564 CNNC(=O)C1CCCCCC1 22a_100016993582_100000749507 [0,1,0,1,0,0|1,0,0]=3 18486 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,1,0,1,0,0|0,0,0]=2 18487 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,1,0,1,0,0|1,0,0]=3 18488 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,1,0,1,0,0|1,0,0]=3 18489 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,1,0,1,0,0|1,0,0]=3 18490 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,1,0,1,0,0|1,0,0]=3 18491 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,1,0,1,0,0|1,0,0]=3 18492 B12R1.1564 COCC(=O)N1CCCOCC1 11a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 18493 B12R1.1564 COCC(=O)N1CCCOCC1 1626a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 18494 B12R1.1564 COCC(=O)N1CCCOCC1 240690a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 18495 B12R1.1564 COCC(=O)N1CCCOCC1 527a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 18496 B12R1.1564 COCN(C)C1CCCCCC1 2230a_100015185097_100000766300 [0,1,0,1,0,0|2,0,0]=4 18497 B12R1.1564 COCN(C)C1CCCCCC1 269982a_100015185097_100000766300 [0,1,0,1,0,0|2,0,0]=4 18498 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,1,0,1,0,0|0,1,0]=3 18499 B12R1.1564 CSCC(=O)N1CCCCCC1 11a_100000185865_100000184570 [0,1,0,1,0,0|1,1,0]=4 18500 B12R1.1564 CSCC(=O)N1CCCCCC1 1626a_100000185865_100000184570 [0,1,0,1,0,0|1,1,0]=4 18501 B12R1.1564 CSCC(=O)N1CCCCCC1 240690a_100000185865_100000184570 [0,1,0,1,0,0|1,1,0]=4 18502 B12R1.1564 CSCC(=O)N1CCCCCC1 527a_100000185865_100000184570 [0,1,0,1,0,0|1,1,0]=4 18503 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_100000182869_200000210301 [0,1,0,1,0,0|1,1,0]=4 18504 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_200000210301_100000182869 [0,1,0,1,0,0|1,1,0]=4 18505 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100000749507_100011214920 [0,1,0,1,0,0|1,0,1]=4 18506 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100051588842_100011217769 [0,1,0,1,0,0|1,0,1]=4 18507 B12R1.1564 O=C(C=CBr)C1CCCCCC1 1458a_100016273825_100011217769 [0,1,0,1,0,0|1,0,1]=4 18508 B12R1.1564 O=C(C=CCl)C1CCCCCC1 1458a_200016279998_100011217769 [0,1,0,1,0,0|1,0,1]=4 18509 B12R1.1564 O=C(C=CI)C1CCCCCC1 1458a_100016256311_100011217769 [0,1,0,1,0,0|1,0,1]=4 18510 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,1,0,1,0,0|1,0,0]=3 18511 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,1,0,1,0,0|1,0,0]=3 18512 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,1,0,1,0,0|1,0,0]=3 18513 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,1,0,1,0,0|2,0,0]=4 18514 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_100000182869_200025704644 [0,1,0,1,0,0|1,1,0]=4 18515 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_200025704644_100000182869 [0,1,0,1,0,0|1,1,0]=4 18516 B12R1.1 C=C1CCC(CC1)COCCC 34a_100000074039_100000210303 [0,1,0,1,0,0|2,0,0]=4 18517 B12R1.1 C=C1CCC(CC1)NCCCC 270004a_100000102301_100010272673 [0,1,0,1,0,0|2,0,0]=4 18518 B12R1.1 C=C1CCN(CC1)CCCCC 2230a_100000752442_100000210326 [0,1,0,1,0,0|2,0,0]=4 18519 B12R1.1 C=C1CCN(CC1)CCCCC 269982a_100000752442_100000210215 [0,1,0,1,0,0|2,0,0]=4 18520 B12R1.1 C=C1CCN(CC1)CCCCC 34a_100000752442_100000718602 [0,1,0,1,0,0|2,0,0]=4 18521 B12R1.1 CCCCCN1CC=C(CC1)C 2230a_100000693516_100000210326 [0,1,0,1,0,0|2,0,0]=4 18522 B12R1.1 CCCCCN1CC=C(CC1)C 269982a_100000693516_100000210215 [0,1,0,1,0,0|2,0,0]=4 18523 B12R1.1 CCCCCN1CC=C(CC1)C 34a_100000693516_100000718602 [0,1,0,1,0,0|2,0,0]=4 18524 B12R1.1 CCCCCN1CCS(=O)CC1 2230a_100000752083_100000210326 [0,1,0,1,0,0|2,0,0]=4 18525 B12R1.1 CCCCCN1CCS(=O)CC1 269982a_100000752083_100000210215 [0,1,0,1,0,0|2,0,0]=4 18526 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [0,1,0,1,0,0|1,0,0]=3 18527 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [0,1,0,1,0,0|1,0,0]=3 18528 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,1,0,1,0,0|1,0,0]=3 18529 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,1,0,1,0,0|1,0,0]=3 18530 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,1,0,1,0,0|1,0,0]=3 18531 B12R1.1 CCCCOC1CNC(=O)NC1 34a_100000080929_100000210210 [0,1,0,1,0,0|2,0,0]=4 18532 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [0,1,0,1,0,0|1,0,0]=3 18533 B12R1.1 COCCNC1CCC(=O)NC1 2230a_100000748762_100011201679 [0,1,0,1,0,0|2,0,0]=4 18534 B12R1.1 COCCNC1CCC(=O)NC1 34a_100000748762_100011201679 [0,1,0,1,0,0|2,0,0]=4 18535 B12R1.1 COCCOC1CCC(=O)CC1 34a_100000764474_100011201679 [0,1,0,1,0,0|2,0,0]=4 18536 B12R1.1 COCCOC1CCC(=O)CC1 7a_100000764474_100000233755 [0,1,0,1,0,0|2,0,0]=4 18537 B12R1.1 COCCOC1CCC(=O)NC1 34a_100000079199_100011201679 [0,1,0,1,0,0|2,0,0]=4 18538 B12R1.1 CSCCNC1CCC(=O)NC1 2230a_100000748762_100000751147 [0,1,0,1,0,0|2,0,0]=4 18539 B12R1.1 CSCCNC1CCC(=O)NC1 34a_100000748762_100000212216 [0,1,0,1,0,0|2,0,0]=4 18540 B12R1.1 CSCCOC1CCC(=O)CC1 34a_100000764474_100000212216 [0,1,0,1,0,0|2,0,0]=4 18541 B12R1.1 CSCCOC1CCC(=O)CC1 7a_100000764474_100000212216 [0,1,0,1,0,0|2,0,0]=4 18542 B12R1.1 CSCCOC1CCC(=O)NC1 34a_100000079199_100000212216 [0,1,0,1,0,0|2,0,0]=4 18543 B12R1.1 CSCOCC1CCC(=O)CC1 34a_100000062911_100011218213 [0,1,0,1,0,0|2,0,0]=4 18544 B12R1.1 O=C1CCC(CC1)COCCF 34a_100000062911_100011217306 [0,1,0,1,0,0|2,0,0]=4 18545 B12R1.1 O=C1CCC(CC1)COCCO 34a_100000062911_100000211926 [0,1,0,1,0,0|2,0,0]=4 18546 B12R1.1 O=C1CCC(CC1)OCCCF 34a_100000764474_100011934791 [0,1,0,1,0,0|2,0,0]=4 18547 B12R1.1 O=C1CCC(CC1)OCCCF 7a_100000764474_100011934791 [0,1,0,1,0,0|2,0,0]=4 18548 B12R1.1 O=C1CCC(CC1)OCCCO 34a_100000764474_100000230001 [0,1,0,1,0,0|2,0,0]=4 18549 B12R1.1 O=C1CCC(CC1)OCCCO 7a_100000764474_100011215043 [0,1,0,1,0,0|2,0,0]=4 18550 B12R1.1 O=C1CCC(CN1)NCCCF 2230a_100000748762_100011934791 [0,1,0,1,0,0|2,0,0]=4 18551 B12R1.1 O=C1CCC(CN1)NCCCF 34a_100000748762_100011934791 [0,1,0,1,0,0|2,0,0]=4 18552 B12R1.1 O=C1CCC(CN1)NCCCO 2230a_100000748762_100000230001 [0,1,0,1,0,0|2,0,0]=4 18553 B12R1.1 O=C1CCC(CN1)NCCCO 34a_100000748762_100000230001 [0,1,0,1,0,0|2,0,0]=4 18554 B12R1.1 O=C1CCC(CN1)OCCCF 34a_100000079199_100011934791 [0,1,0,1,0,0|2,0,0]=4 18555 B12R1.1 O=C1CCC(CN1)OCCCO 34a_100000079199_100000230001 [0,1,0,1,0,0|2,0,0]=4 18556 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,1,0,1,0,0|1,0,0]=3 18557 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,1,0,1,0,0|1,0,0]=3 18558 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,1,0,0|1,0,0]=3 18559 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,1,0,1,0,0|1,0,0]=3 18560 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,1,0,1,0,0|1,0,0]=3 18561 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,1,0,1,0,0|1,0,0]=3 18562 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,1,0,1,0,0|1,0,0]=3 18563 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,1,0,1,0,0|1,0,0]=3 18564 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,1,0,1,0,0|2,0,0]=4 18565 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,1,0,1,0,0|2,0,0]=4 18566 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,1,0,1,0,0|2,0,0]=4 18567 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,1,0,1,0,0|2,0,0]=4 18568 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,1,0,1,0,0|2,0,0]=4 18569 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,1,0,1,0,0|2,0,0]=4 18570 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,1,0,1,0,0|1,0,0]=3 18571 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,1,0,1,0,0|1,0,0]=3 18572 B12R1.7 CCCCNN=C1COC(=O)C1 4a_100025702795_100000211896 [0,1,0,1,0,0|1,0,1]=4 18573 B12R1.7 CCCCOCC1=CC(=O)OC1 34a_100000210227_100000716558 [0,1,0,1,0,0|0,0,2]=4 18574 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,1,0,1,0,0|2,0,0]=4 18575 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,1,0,1,0,0|1,0,0]=3 18576 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,1,0,1,0,0|2,0,0]=4 18577 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,1,0,1,0,0|2,0,0]=4 18578 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,1,0,1,0,0|2,0,0]=4 18579 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,1,0,1,0,0|1,0,0]=3 18580 B12R1.7 CCCCOCN1CNC(=O)C1 2230a_200000708111_100011995733 [0,1,0,1,0,0|2,0,0]=4 18581 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,1,0,1,0,0|2,0,0]=4 18582 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,1,0,1,0,0|1,0,0]=3 18583 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,1,0,1,0,0|1,0,0]=3 18584 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000210211_100000716558 [0,1,0,1,0,0|0,0,2]=4 18585 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000716558_100000210210 [0,1,0,1,0,0|0,0,2]=4 18586 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,1,0,1,0,0|2,0,0]=4 18587 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,1,0,1,0,0|2,0,0]=4 18588 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,1,0,1,0,0|1,0,0]=3 18589 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,1,0,1,0,0|1,0,0]=3 18590 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,1,0,1,0,0|2,0,0]=4 18591 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,1,0,1,0,0|2,0,0]=4 18592 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,1,0,1,0,0|1,0,0]=3 18593 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,1,0,1,0,0|1,0,0]=3 18594 B12R1.7 CCCOCCN1CNC(=O)C1 2230a_200000708111_100011215938 [0,1,0,1,0,0|2,0,0]=4 18595 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [0,1,0,1,0,0|2,0,0]=4 18596 B12R1.7 CCOCCCN1CNC(=O)C1 2230a_200000708111_100012232248 [0,1,0,1,0,0|2,0,0]=4 18597 B12R1.7 CCOCCNC1CNC(=O)C1 2230a_100000697751_100011215890 [0,1,0,1,0,0|2,0,0]=4 18598 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [0,1,0,1,0,0|2,0,0]=4 18599 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,1,0,1,0,0|2,0,0]=4 18600 B12R1.7 CCOCCOC1CNC(=O)C1 34a_100000690082_100000210147 [0,1,0,1,0,0|2,0,0]=4 18601 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [0,1,0,1,0,0|2,0,0]=4 18602 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [0,1,0,1,0,0|2,0,0]=4 18603 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [0,1,0,1,0,0|2,0,0]=4 18604 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [0,1,0,1,0,0|2,0,0]=4 18605 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100000739092_100015307671 [0,1,0,1,0,0|2,0,0]=4 18606 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100015307671_100000739092 [0,1,0,1,0,0|2,0,0]=4 18607 B12R1.7 CCSCCNC1CNC(=O)C1 2230a_100000697751_100000757381 [0,1,0,1,0,0|2,0,0]=4 18608 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,1,0,1,0,0|2,0,0]=4 18609 B12R1.7 CCSCCOC1CNC(=O)C1 34a_100000690082_100000757381 [0,1,0,1,0,0|2,0,0]=4 18610 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [0,1,0,1,0,0|2,0,0]=4 18611 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [0,1,0,1,0,0|2,0,0]=4 18612 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,1,0,1,0,0|2,0,0]=4 18613 B12R1.7 COCCCCN1CNC(=O)C1 2230a_200000708111_100000730899 [0,1,0,1,0,0|2,0,0]=4 18614 B12R1.7 COCCCNC1CNC(=O)C1 2230a_100000697751_100000740836 [0,1,0,1,0,0|2,0,0]=4 18615 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [0,1,0,1,0,0|2,0,0]=4 18616 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,1,0,1,0,0|2,0,0]=4 18617 B12R1.7 COCCCOC1CNC(=O)C1 34a_100000690082_100000740836 [0,1,0,1,0,0|2,0,0]=4 18618 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [0,1,0,1,0,0|2,0,0]=4 18619 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [0,1,0,1,0,0|2,0,0]=4 18620 B12R1.7 COCCNCC1CNC(=O)C1 2230a_100016993742_100011201679 [0,1,0,1,0,0|2,0,0]=4 18621 B12R1.7 COCCNCC1CNC(=O)C1 34a_100016993742_100011201679 [0,1,0,1,0,0|2,0,0]=4 18622 B12R1.7 COCCNC[C@H]1COC(=O)N1 2230a_100000209980_100015307671 [0,1,0,1,0,0|2,0,0]=4 18623 B12R1.7 COCCOCC1CNC(=O)C1 34a_100016041077_100011201679 [0,1,0,1,0,0|2,0,0]=4 18624 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [0,1,0,1,0,0|2,0,0]=4 18625 B12R1.7 COCCOC[C@H]1COC(=O)N1 34a_100000210237_100015307671 [0,1,0,1,0,0|2,0,0]=4 18626 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [0,1,0,1,0,0|2,0,0]=4 18627 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [0,1,0,1,0,0|2,0,0]=4 18628 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100000233755_100015307671 [0,1,0,1,0,0|2,0,0]=4 18629 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100015307671_100000233755 [0,1,0,1,0,0|2,0,0]=4 18630 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [0,1,0,1,0,0|2,0,0]=4 18631 B12R1.7 CSCCNCC1CNC(=O)C1 2230a_100016993742_100000751147 [0,1,0,1,0,0|2,0,0]=4 18632 B12R1.7 CSCCNCC1CNC(=O)C1 34a_100016993742_100000212216 [0,1,0,1,0,0|2,0,0]=4 18633 B12R1.7 CSCCNC[C@H]1COC(=O)N1 2230a_100020590264_100015307671 [0,1,0,1,0,0|2,0,0]=4 18634 B12R1.7 CSCCOCC1CNC(=O)C1 34a_100016041077_100000212216 [0,1,0,1,0,0|2,0,0]=4 18635 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [0,1,0,1,0,0|2,0,0]=4 18636 B12R1.7 CSCCOC[C@H]1COC(=O)N1 34a_100000230434_100015307671 [0,1,0,1,0,0|2,0,0]=4 18637 B12R1.7 CSCCOC[C@H]1COC(=O)N1 7a_100000230434_100015307671 [0,1,0,1,0,0|2,0,0]=4 18638 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [0,1,0,1,0,0|2,0,0]=4 18639 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [0,1,0,1,0,0|2,0,0]=4 18640 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100000212216_100015307671 [0,1,0,1,0,0|2,0,0]=4 18641 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100015307671_100000751147 [0,1,0,1,0,0|2,0,0]=4 18642 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [0,1,0,1,0,0|2,0,0]=4 18643 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [0,1,0,1,0,0|2,0,0]=4 18644 B12R1.7 NCCCOC[C@H]1COC(=O)N1 34a_100000182051_100015307671 [0,1,0,1,0,0|2,0,0]=4 18645 B12R1.7 O=C1CC(CN1)CNCCCF 2230a_100016993742_100011934791 [0,1,0,1,0,0|2,0,0]=4 18646 B12R1.7 O=C1CC(CN1)CNCCCF 34a_100016993742_100011934791 [0,1,0,1,0,0|2,0,0]=4 18647 B12R1.7 O=C1CC(CN1)CNCCCO 2230a_100016993742_100000230001 [0,1,0,1,0,0|2,0,0]=4 18648 B12R1.7 O=C1CC(CN1)CNCCCO 34a_100016993742_100000230001 [0,1,0,1,0,0|2,0,0]=4 18649 B12R1.7 O=C1CC(CN1)COCCCF 34a_100016041077_100011934791 [0,1,0,1,0,0|2,0,0]=4 18650 B12R1.7 O=C1CC(CN1)COCCCO 34a_100016041077_100000230001 [0,1,0,1,0,0|2,0,0]=4 18651 B12R1.7 O=C1CC(CN1)NCCCCF 2230a_100000697751_100000729493 [0,1,0,1,0,0|2,0,0]=4 18652 B12R1.7 O=C1CC(CN1)NCCCCO 2230a_100000697751_100000210776 [0,1,0,1,0,0|2,0,0]=4 18653 B12R1.7 O=C1CC(CN1)OCCCCF 34a_100000690082_100000729493 [0,1,0,1,0,0|2,0,0]=4 18654 B12R1.7 O=C1CC(CN1)OCCCCO 34a_100000690082_100011216708 [0,1,0,1,0,0|2,0,0]=4 18655 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,1,0,1,0,0|2,0,0]=4 18656 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,1,0,1,0,0|2,0,0]=4 18657 B12R1.7 O=C1CN(CN1)CCCCCF 2230a_200000708111_100000729378 [0,1,0,1,0,0|2,0,0]=4 18658 B12R1.7 O=C1CN(CN1)CCCCCO 2230a_200000708111_100000746330 [0,1,0,1,0,0|2,0,0]=4 18659 B12R1.7 O=C1N[C@H](CO1)CNCCCF 2230a_100015189416_100015307671 [0,1,0,1,0,0|2,0,0]=4 18660 B12R1.7 O=C1N[C@H](CO1)CNCCCF 34a_100015189416_100015307671 [0,1,0,1,0,0|2,0,0]=4 18661 B12R1.7 O=C1N[C@H](CO1)COCCCBr 34a_100011217188_100015307671 [0,1,0,1,0,0|2,0,0]=4 18662 B12R1.7 O=C1N[C@H](CO1)COCCCCl 34a_100000230001_100015307671 [0,1,0,1,0,0|2,0,0]=4 18663 B12R1.7 O=C1N[C@H](CO1)COCCCF 34a_100000759539_100015307671 [0,1,0,1,0,0|2,0,0]=4 18664 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100011934791_100015307671 [0,1,0,1,0,0|2,0,0]=4 18665 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100015307671_100011934791 [0,1,0,1,0,0|2,0,0]=4 18666 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100011215043_100015307671 [0,1,0,1,0,0|2,0,0]=4 18667 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100015307671_100011215043 [0,1,0,1,0,0|2,0,0]=4 18668 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [0,1,0,1,0,0|2,0,0]=4 18669 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [0,1,0,1,0,0|2,0,0]=4 18670 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [0,1,0,1,0,0|2,0,0]=4 18671 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [0,1,0,1,0,0|2,0,0]=4 18672 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [0,1,0,1,0,0|2,0,0]=4 18673 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [0,1,0,1,0,0|2,0,0]=4 18674 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,1,0,1,0,0|2,0,0]=4 18675 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,1,0,1,0,0|2,0,0]=4 18676 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [0,1,0,1,0,0|2,0,0]=4 18677 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [0,1,0,1,0,0|2,0,0]=4 18678 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [0,1,0,1,0,0|2,0,0]=4 18679 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [0,1,0,1,0,0|2,0,0]=4 18680 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [0,1,0,1,0,0|2,0,0]=4 18681 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [0,1,0,1,0,0|2,0,0]=4 18682 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [0,1,0,1,0,0|2,0,0]=4 18683 B12R1.25 CCCCN1CCNC(=O)C1C 2230a_100000750721_100000210211 [0,1,0,1,0,0|2,0,0]=4 18684 B12R1.25 CCCCN1CCNC(=O)C1C 269982a_100000750721_100000210211 [0,1,0,1,0,0|2,0,0]=4 18685 B12R1.25 CCCCN1CCNC(=O)C1C 34a_100000750721_100000210210 [0,1,0,1,0,0|2,0,0]=4 18686 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,1,0,1,0,0|1,0,0]=3 18687 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,1,0,1,0,0|1,0,0]=3 18688 B12R1.25 CN1C(=O)CCCC1CNCF 34a_200010383782_100015361967 [0,1,0,1,0,0|2,0,0]=4 18689 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [0,1,0,1,0,0|1,0,1]=4 18690 B12R1.27 C#CC(=O)CCC1CCOCC1 1458a_100000211873_100011934994 [0,1,0,1,0,0|1,0,1]=4 18691 B12R1.27 C#CC(=O)CCN1CCCCC1 1458a_100000211873_100000739454 [0,1,0,1,0,0|1,0,1]=4 18692 B12R1.27 C#CC(=O)COC1CCCCC1 1458a_100000211873_100011935260 [0,1,0,1,0,0|1,0,1]=4 18693 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,1,0,1,0,0|1,0,1]=4 18694 B12R1.27 C=CC(=O)CCC1CCOCC1 1458a_100000185746_100011934994 [0,1,0,1,0,0|1,0,1]=4 18695 B12R1.27 C=CC(=O)CCN1CCCCC1 1458a_100000185746_100000739454 [0,1,0,1,0,0|1,0,1]=4 18696 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [0,1,0,1,0,0|1,0,1]=4 18697 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,1,0,1,0,0|1,0,1]=4 18698 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,1,0,1,0,0|1,0,1]=4 18699 B12R1.27 CC(CNC1CCCCC1)O[13CH3] 34a_100000202029_200025704644 [0,1,0,1,0,0|1,0,1]=4 18700 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,1,0,1,0,0|1,0,1]=4 18701 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,1,0,0|1,0,0]=3 18702 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,1,0,0|1,0,0]=3 18703 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,1,0,1,0,0|1,0,0]=3 18704 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [0,1,0,1,0,0|2,0,0]=4 18705 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,1,0,1,0,0|1,0,0]=3 18706 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,1,0,1,0,0|1,0,0]=3 18707 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [0,1,0,1,0,0|2,0,0]=4 18708 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000210414_100000753993 [0,1,0,1,0,0|2,0,0]=4 18709 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000749337_100000210202 [0,1,0,1,0,0|2,0,0]=4 18710 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,1,0,0|1,0,0]=3 18711 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,1,0,0|1,0,0]=3 18712 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,1,0,0|1,0,0]=3 18713 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,1,0,0|1,0,0]=3 18714 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,1,0,1,0,0|2,0,0]=4 18715 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [0,1,0,1,0,0|2,0,0]=4 18716 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [0,1,0,1,0,0|2,0,0]=4 18717 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [0,1,0,1,0,0|2,0,0]=4 18718 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,1,0,1,0,0|1,0,0]=3 18719 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,1,0,1,0,0|1,0,0]=3 18720 B12R1.27 CCC(=O)CSC1CCCOC1 62a_100000747405_100000693364 [0,1,0,1,0,0|2,0,0]=4 18721 B12R1.27 CCC(=O)CSC1CCOCC1 62a_100000747405_100011324220 [0,1,0,1,0,0|2,0,0]=4 18722 B12R1.27 CCC(=O)CSC1CCSCC1 62a_100000747405_100000069128 [0,1,0,1,0,0|2,0,0]=4 18723 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,1,0,0|1,0,0]=3 18724 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,1,0,0|1,0,0]=3 18725 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,1,0,0|1,0,0]=3 18726 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,1,0,0|1,0,0]=3 18727 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,1,0,1,0,0|2,0,0]=4 18728 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,1,0,1,0,0|2,0,0]=4 18729 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,1,0,1,0,0|2,0,0]=4 18730 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,1,0,1,0,0|2,0,0]=4 18731 B12R1.27 CCC(=O)NCC1CCCOC1 11a_100000720124_100000210414 [0,1,0,1,0,0|2,0,0]=4 18732 B12R1.27 CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210414 [0,1,0,1,0,0|2,0,0]=4 18733 B12R1.27 CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210414 [0,1,0,1,0,0|2,0,0]=4 18734 B12R1.27 CCC(=O)NCC1CCCOC1 527a_100000720124_100000210414 [0,1,0,1,0,0|2,0,0]=4 18735 B12R1.27 CCC(=O)NCC1CCOCC1 11a_100000746373_100000210414 [0,1,0,1,0,0|2,0,0]=4 18736 B12R1.27 CCC(=O)NCC1CCOCC1 1626a_100000746373_100000210414 [0,1,0,1,0,0|2,0,0]=4 18737 B12R1.27 CCC(=O)NCC1CCOCC1 240690a_100000746373_100000210414 [0,1,0,1,0,0|2,0,0]=4 18738 B12R1.27 CCC(=O)NCC1CCOCC1 527a_100000746373_100000210414 [0,1,0,1,0,0|2,0,0]=4 18739 B12R1.27 CCC(=O)NCC1CCSCC1 11a_100015188806_100000210414 [0,1,0,1,0,0|2,0,0]=4 18740 B12R1.27 CCC(=O)NCC1CCSCC1 240690a_100015188806_100000210414 [0,1,0,1,0,0|2,0,0]=4 18741 B12R1.27 CCC(=O)NCC1CCSCC1 527a_100015188806_100000210414 [0,1,0,1,0,0|2,0,0]=4 18742 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,1,0,1,0,0|2,0,0]=4 18743 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,1,0,1,0,0|1,0,1]=4 18744 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,1,0,1,0,0|1,0,1]=4 18745 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,1,0,1,0,0|1,0,1]=4 18746 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,1,0,1,0,0|1,0,0]=3 18747 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 18748 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 18749 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 18750 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [0,1,0,1,0,0|1,0,0]=3 18751 B12R1.27 CNC(=O)CCN1CCCCO1 240690a_100102657272_200015184090 [0,1,0,1,0,0|2,0,0]=4 18752 B12R1.27 CNC(=O)CCN1CCCOC1 2230a_100000131196_100000737683 [0,1,0,1,0,0|2,0,0]=4 18753 B12R1.27 CNC(=O)CCN1CCCOC1 269982a_100000131196_100000737683 [0,1,0,1,0,0|2,0,0]=4 18754 B12R1.27 CNC(=O)CCN1CCCOC1 34a_100000131196_100012179268 [0,1,0,1,0,0|2,0,0]=4 18755 B12R1.27 CNC(=O)CCN1CCOCC1 2230a_100015191051_100000737683 [0,1,0,1,0,0|2,0,0]=4 18756 B12R1.27 CNC(=O)CCN1CCOCC1 240690a_100102657272_100000749337 [0,1,0,1,0,0|2,0,0]=4 18757 B12R1.27 CNC(=O)CCN1CCOCC1 269982a_100015191051_100000737683 [0,1,0,1,0,0|2,0,0]=4 18758 B12R1.27 CNC(=O)CCN1CCOCC1 34a_100015191051_100012179268 [0,1,0,1,0,0|2,0,0]=4 18759 B12R1.27 CNC(=O)CCN1CCOCC1 527a_100102657272_100000749337 [0,1,0,1,0,0|2,0,0]=4 18760 B12R1.27 CNC(=O)CCN1CCSCC1 2230a_100000737611_100000737683 [0,1,0,1,0,0|2,0,0]=4 18761 B12R1.27 CNC(=O)CCN1CCSCC1 269982a_100000737611_100000737683 [0,1,0,1,0,0|2,0,0]=4 18762 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,1,0,1,0,0|1,0,0]=3 18763 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,1,0,1,0,0|1,0,0]=3 18764 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,1,0,1,0,0|1,0,0]=3 18765 B12R1.27 CNC(=O)CNC1CCCOC1 2230a_100000719290_100000183359 [0,1,0,1,0,0|2,0,0]=4 18766 B12R1.27 CNC(=O)CNC1CCCOC1 270004a_100000693194_100000753404 [0,1,0,1,0,0|2,0,0]=4 18767 B12R1.27 CNC(=O)CNC1CCCOC1 34a_100000719290_100000183359 [0,1,0,1,0,0|2,0,0]=4 18768 B12R1.27 CNC(=O)CNC1CCCSC1 270004a_100000693194_100000057913 [0,1,0,1,0,0|2,0,0]=4 18769 B12R1.27 CNC(=O)CNC1CCNCC1 270004a_100000693194_100015192401 [0,1,0,1,0,0|2,0,0]=4 18770 B12R1.27 CNC(=O)CNC1CCOCC1 2230a_100000741149_100000183359 [0,1,0,1,0,0|2,0,0]=4 18771 B12R1.27 CNC(=O)CNC1CCOCC1 270004a_100000693194_100011217826 [0,1,0,1,0,0|2,0,0]=4 18772 B12R1.27 CNC(=O)CNC1CCOCC1 34a_100000741149_100000183359 [0,1,0,1,0,0|2,0,0]=4 18773 B12R1.27 CNC(=O)CNC1CCSCC1 2230a_100000748639_100000183359 [0,1,0,1,0,0|2,0,0]=4 18774 B12R1.27 CNC(=O)CNC1CCSCC1 270004a_100000693194_100000203788 [0,1,0,1,0,0|2,0,0]=4 18775 B12R1.27 CNC(=O)CNC1CCSCC1 34a_100000748639_100000183359 [0,1,0,1,0,0|2,0,0]=4 18776 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,1,0,1,0,0|1,0,0]=3 18777 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 18778 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 18779 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,1,0,1,0,0|1,0,0]=3 18780 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,1,0,1,0,0|1,0,0]=3 18781 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 18782 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,1,0,1,0,0|1,0,0]=3 18783 B12R1.27 CNC(=O)COC1CCCCO1 34a_100000033831_100000183359 [0,1,0,1,0,0|2,0,0]=4 18784 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000750040_100000693364 [0,1,0,1,0,0|2,0,0]=4 18785 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000754041_100000183359 [0,1,0,1,0,0|2,0,0]=4 18786 B12R1.27 CNC(=O)COC1CCCSC1 7a_100015962668_100000183359 [0,1,0,1,0,0|2,0,0]=4 18787 B12R1.27 CNC(=O)COC1CCOCC1 34a_100000744328_100000183359 [0,1,0,1,0,0|2,0,0]=4 18788 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000731022_100000183359 [0,1,0,1,0,0|2,0,0]=4 18789 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000750040_100000069128 [0,1,0,1,0,0|2,0,0]=4 18790 B12R1.27 CNC(=O)COC1CCSCC1 7a_100000731022_100000183359 [0,1,0,1,0,0|2,0,0]=4 18791 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,1,0,1,0,0|1,0,0]=3 18792 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,1,0,1,0,0|1,0,0]=3 18793 B12R1.27 CNC(=O)CSC1CCCOC1 62a_100000183359_100000693364 [0,1,0,1,0,0|2,0,0]=4 18794 B12R1.27 CNC(=O)CSC1CCOCC1 62a_100000183359_100011324220 [0,1,0,1,0,0|2,0,0]=4 18795 B12R1.27 CNC(=O)CSC1CCSCC1 62a_100000183359_100000069128 [0,1,0,1,0,0|2,0,0]=4 18796 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,1,0,1,0,0|1,0,0]=3 18797 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,1,0,1,0,0|1,0,0]=3 18798 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,1,0,1,0,0|1,0,0]=3 18799 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,1,0,1,0,0|1,0,0]=3 18800 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,1,0,1,0,0|1,0,0]=3 18801 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,1,0,1,0,0|2,0,0]=4 18802 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 18803 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 18804 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 18805 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 18806 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,1,0,1,0,0|2,0,0]=4 18807 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100000720124_106832991635 [0,1,0,1,0,0|2,0,0]=4 18808 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100102657272_100000720124 [0,1,0,1,0,0|2,0,0]=4 18809 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100000720124_100102657272 [0,1,0,1,0,0|2,0,0]=4 18810 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100102657272_100000720124 [0,1,0,1,0,0|2,0,0]=4 18811 B12R1.27 CNC(=O)NCC1CCCOC1 512a_100000720124_100102657272 [0,1,0,1,0,0|2,0,0]=4 18812 B12R1.27 CNC(=O)NCC1CCCOC1 512a_106832991638_100000720124 [0,1,0,1,0,0|2,0,0]=4 18813 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100000746373_106832991635 [0,1,0,1,0,0|2,0,0]=4 18814 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100102657272_100000746373 [0,1,0,1,0,0|2,0,0]=4 18815 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100000746373_100102657272 [0,1,0,1,0,0|2,0,0]=4 18816 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100102657272_100000746373 [0,1,0,1,0,0|2,0,0]=4 18817 B12R1.27 CNC(=O)NCC1CCOCC1 512a_100000746373_100102657272 [0,1,0,1,0,0|2,0,0]=4 18818 B12R1.27 CNC(=O)NCC1CCOCC1 512a_106832991638_100000746373 [0,1,0,1,0,0|2,0,0]=4 18819 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100015188806_106832991635 [0,1,0,1,0,0|2,0,0]=4 18820 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100102657272_100015188806 [0,1,0,1,0,0|2,0,0]=4 18821 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100015188806_100102657272 [0,1,0,1,0,0|2,0,0]=4 18822 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100102657272_100015188806 [0,1,0,1,0,0|2,0,0]=4 18823 B12R1.27 CNC(=O)NCC1CCSCC1 512a_100015188806_100102657272 [0,1,0,1,0,0|2,0,0]=4 18824 B12R1.27 CNC(=O)NCC1CCSCC1 512a_106832991638_100015188806 [0,1,0,1,0,0|2,0,0]=4 18825 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,1,0,1,0,0|2,0,0]=4 18826 B12R1.27 COC(=O)CCN1CC=CCC1 2230a_100000698166_100000204255 [0,1,0,1,0,0|0,0,2]=4 18827 B12R1.27 COC(=O)CCN1CC=CCC1 269982a_100000698166_100000204255 [0,1,0,1,0,0|0,0,2]=4 18828 B12R1.27 COC(=O)CCN1CC=CCC1 34a_100000698166_100000742370 [0,1,0,1,0,0|0,0,2]=4 18829 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [0,1,0,1,0,0|1,0,0]=3 18830 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [0,1,0,1,0,0|1,0,0]=3 18831 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [0,1,0,1,0,0|1,0,0]=3 18832 B12R1.27 COC(=O)CCN1CCOCC1 2230a_100015191051_100000204255 [0,1,0,1,0,0|1,0,0]=3 18833 B12R1.27 COC(=O)CCN1CCOCC1 269982a_100015191051_100000204255 [0,1,0,1,0,0|1,0,0]=3 18834 B12R1.27 COC(=O)CCN1CCOCC1 34a_100015191051_100000742370 [0,1,0,1,0,0|1,0,0]=3 18835 B12R1.27 COC(=O)CCN1CCSCC1 2230a_100000737611_100000204255 [0,1,0,1,0,0|1,0,0]=3 18836 B12R1.27 COC(=O)CCN1CCSCC1 269982a_100000737611_100000204255 [0,1,0,1,0,0|1,0,0]=3 18837 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,1,0,1,0,0|0,0,0]=2 18838 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,1,0,1,0,0|0,0,0]=2 18839 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,1,0,1,0,0|1,0,0]=3 18840 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,1,0,1,0,0|1,0,0]=3 18841 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [0,1,0,1,0,0|1,0,0]=3 18842 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [0,1,0,1,0,0|1,0,0]=3 18843 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [0,1,0,1,0,0|1,0,0]=3 18844 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [0,1,0,1,0,0|1,0,0]=3 18845 B12R1.27 COC(=O)COC1C=CCCC1 34a_100011215024_100000747449 [0,1,0,1,0,0|0,0,2]=4 18846 B12R1.27 COC(=O)COC1CC=CCC1 34a_100000073881_100000747449 [0,1,0,1,0,0|0,0,2]=4 18847 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,1,0,1,0,0|0,0,0]=2 18848 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,1,0,1,0,0|0,0,0]=2 18849 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,1,0,1,0,0|1,0,0]=3 18850 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,1,0,1,0,0|1,0,0]=3 18851 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [0,1,0,1,0,0|1,0,0]=3 18852 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [0,1,0,1,0,0|1,0,0]=3 18853 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [0,1,0,1,0,0|1,0,0]=3 18854 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [0,1,0,1,0,0|1,0,0]=3 18855 B12R1.27 COC(=O)CSC1C=CCCC1 62a_100000747449_100000751183 [0,1,0,1,0,0|0,0,2]=4 18856 B12R1.27 COC(=O)CSC1C=CCCC1 62a_100000751183_100000747449 [0,1,0,1,0,0|0,0,2]=4 18857 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,1,0,1,0,0|0,0,0]=2 18858 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,1,0,1,0,0|0,0,0]=2 18859 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,1,0,1,0,0|1,0,0]=3 18860 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [0,1,0,1,0,0|1,0,0]=3 18861 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [0,1,0,1,0,0|1,0,0]=3 18862 B12R1.27 COC(C)CNC1CCCCC1 34a_100000202029_200000210301 [0,1,0,1,0,0|1,0,1]=4 18863 B12R1.27 COC(C)COC1CCCCC1 34a_100000690652_100000210327 [0,1,0,1,0,0|1,0,1]=4 18864 B12R1.27 COC(C)SCC1CCCCC1 62a_100000211423_100009879195 [0,1,0,1,0,0|1,0,1]=4 18865 B12R1.27 COC(C)SCC1CCCCC1 62a_100009879195_100000211423 [0,1,0,1,0,0|1,0,1]=4 18866 B12R1.27 CO[C@H](C)CNC1CCCCC1 270004a_100020591295_100000210434 [0,1,0,1,0,0|1,0,1]=4 18867 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,1,0,0|2,0,0]=4 18868 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [0,1,0,1,0,0|2,0,0]=4 18869 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,1,0,1,0,0|2,0,0]=4 18870 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,1,0,0|2,0,0]=4 18871 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,1,0,1,0,0|2,0,0]=4 18872 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [0,1,0,1,0,0|2,0,0]=4 18873 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,1,0,1,0,0|2,0,0]=4 18874 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,1,0,0|2,0,0]=4 18875 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,1,0,0|2,0,0]=4 18876 B12R1.77 C=CC(=O)N1CCCCC1CC 1626a_100000210034_100000185746 [0,1,0,1,0,0|1,0,1]=4 18877 B12R1.77 C=CC(=O)N1CCCCC1CC 240690a_100000210034_200121576911 [0,1,0,1,0,0|1,0,1]=4 18878 B12R1.77 CCC(=O)C1CCCCN1CC 1458a_100000743832_100000210202 [0,1,0,1,0,0|1,0,0]=3 18879 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,1,0,1,0,0|1,0,0]=3 18880 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,1,0,1,0,0|1,0,0]=3 18881 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,1,0,1,0,0|1,0,0]=3 18882 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,1,0,1,0,0|1,0,0]=3 18883 B12R1.77 CCC(=O)N1CCCCC1CO 240690a_100000210821_100000210414 [0,1,0,1,0,0|2,0,0]=4 18884 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000210414 [0,1,0,1,0,0|2,0,0]=4 18885 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000210414 [0,1,0,1,0,0|2,0,0]=4 18886 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000210414 [0,1,0,1,0,0|2,0,0]=4 18887 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000210414 [0,1,0,1,0,0|2,0,0]=4 18888 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|2,0,0]=4 18889 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|2,0,0]=4 18890 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [0,1,0,1,0,0|1,0,0]=3 18891 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [0,1,0,1,0,0|1,0,0]=3 18892 B12R1.77 CCC1CCCCN1C(C)OC 269982a_100000210034_100009879195 [0,1,0,1,0,0|1,0,1]=4 18893 B12R1.77 CCN1CCCCC1C(=O)CF 1458a_100000743832_100015361967 [0,1,0,1,0,0|2,0,0]=4 18894 B12R1.77 CCN1CCCCC1C(=O)NC 11a_106832991635_100000743832 [0,1,0,1,0,0|1,0,0]=3 18895 B12R1.77 CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210202 [0,1,0,1,0,0|1,0,0]=3 18896 B12R1.77 CCN1CCCCC1C(=O)NC 240690a_100102657272_100000743832 [0,1,0,1,0,0|1,0,0]=3 18897 B12R1.77 CCN1CCCCC1C(=O)NC 269982a_100011209383_100000204670 [0,1,0,1,0,0|1,0,0]=3 18898 B12R1.77 CCN1CCCCC1C(=O)NC 34a_100011209383_100000210202 [0,1,0,1,0,0|1,0,0]=3 18899 B12R1.77 CCN1CCCCC1C(=O)NC 527a_100102657272_100000743832 [0,1,0,1,0,0|1,0,0]=3 18900 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|0,0,0]=2 18901 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|0,0,0]=2 18902 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|0,0,0]=2 18903 B12R1.77 CCN1CCOCC1C(=O)OC 2230a_100000765174_100000210202 [0,1,0,1,0,0|1,0,0]=3 18904 B12R1.77 CCN1CCOCC1C(=O)OC 34a_100000765174_100000210202 [0,1,0,1,0,0|1,0,0]=3 18905 B12R1.77 CC[C@H]1COCCN1C(=O)NC 2708a_100102657272_100016988097 [0,1,0,1,0,0|2,0,0]=4 18906 B12R1.77 CC[C@H]1COCCN1C(=O)NC 273464a_100102657272_100016988097 [0,1,0,1,0,0|2,0,0]=4 18907 B12R1.77 CNC(=O)C1CCCCN1CF 269982a_100011209383_100015361967 [0,1,0,1,0,0|2,0,0]=4 18908 B12R1.77 CNC(=O)C1CCCCN1CF 34a_100011209383_100015361967 [0,1,0,1,0,0|2,0,0]=4 18909 B12R1.77 CNC(=O)N1CCCCC1CO 2708a_100102657272_100000210821 [0,1,0,1,0,0|2,0,0]=4 18910 B12R1.77 CNC(=O)N1CCCCC1CO 273464a_100102657272_100000210821 [0,1,0,1,0,0|2,0,0]=4 18911 B12R1.77 COC(=O)C1CCCCN1CF 269982a_100000734855_100015361967 [0,1,0,1,0,0|1,0,0]=3 18912 B12R1.77 COC(=O)C1CCCCN1CF 34a_100000734855_100015361967 [0,1,0,1,0,0|1,0,0]=3 18913 B12R1.77 COC(=O)C1CNCCC1OC 34a_200103168510_200000210301 [0,1,0,1,0,0|1,0,0]=3 18914 B12R1.77 COC(=O)C1CNCCC1O[13CH3] 34a_200103168510_200025704644 [0,1,0,1,0,0|1,0,0]=3 18915 B12R1.77 COC(=O)C1COCCN1CF 34a_100000765174_100015361967 [0,1,0,1,0,0|2,0,0]=4 18916 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,1,0,1,0,0|0,0,0]=2 18917 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,1,0,1,0,0|0,0,0]=2 18918 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,1,0,1,0,0|0,0,0]=2 18919 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,1,0,1,0,0|0,0,0]=2 18920 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,1,0,1,0,0|1,0,0]=3 18921 B12R1.82 CCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747405 [0,1,0,1,0,0|2,0,0]=4 18922 B12R1.82 CCC1C=CCN1CC(=O)OC 2230a_100000730860_100000747449 [0,1,0,1,0,0|0,0,2]=4 18923 B12R1.82 CCC1C=CCN1CC(=O)OC 269982a_100000730860_100000747449 [0,1,0,1,0,0|0,0,2]=4 18924 B12R1.82 CCC1C=CCN1CC(=O)OC 34a_100000730860_100000747449 [0,1,0,1,0,0|0,0,2]=4 18925 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 18926 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 18927 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 18928 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,1,0,1,0,0|0,0,0]=2 18929 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,1,0,1,0,0|0,0,0]=2 18930 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,1,0,1,0,0|0,0,0]=2 18931 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [0,1,0,1,0,0|0,0,0]=2 18932 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [0,1,0,1,0,0|0,0,0]=2 18933 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [0,1,0,1,0,0|0,0,0]=2 18934 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 18935 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 18936 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 18937 B12R1.82 COC(=O)CN1CCCC1C#N 2230a_100000701862_100000747449 [0,1,0,1,0,0|1,0,1]=4 18938 B12R1.82 COC(=O)CN1CCC[C@@H]1C#N 2230a_106645074975_100000747449 [0,1,0,1,0,0|1,0,1]=4 18939 B12R1.82 COC(=O)CN1CCC[C@@H]1C#N 269982a_106645074975_100000747449 [0,1,0,1,0,0|1,0,1]=4 18940 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747449 [0,1,0,1,0,0|1,0,0]=3 18941 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747449 [0,1,0,1,0,0|1,0,0]=3 18942 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000747449 [0,1,0,1,0,0|1,0,0]=3 18943 B12R1.82 COC(=O)C[C@H]1CCCN1CF 269982a_100025726698_100015361967 [0,1,0,1,0,0|1,0,0]=3 18944 B12R1.82 COC(=O)C[C@H]1CCCN1CF 34a_100025726698_100015361967 [0,1,0,1,0,0|1,0,0]=3 18945 B12R1.163 CCC(=O)CN1CCC1COC 269982a_100015195929_100000747405 [0,1,0,1,0,0|2,0,0]=4 18946 B12R1.163 CNC(=O)CN1CCC1COC 2230a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 18947 B12R1.163 CNC(=O)CN1CCC1COC 269982a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 18948 B12R1.163 CNC(=O)CN1CCC1COC 34a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 18949 B12R1.163 COCC1CCN1CC(=O)OC 2230a_100015195929_100000747449 [0,1,0,1,0,0|1,0,0]=3 18950 B12R1.163 COCC1CCN1CC(=O)OC 269982a_100015195929_100000747449 [0,1,0,1,0,0|1,0,0]=3 18951 B12R1.163 COCC1CCN1CC(=O)OC 34a_100015195929_100000747449 [0,1,0,1,0,0|1,0,0]=3 18952 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,1,0,1,0,0|1,0,1]=4 18953 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,1,0,1,0,0|1,0,1]=4 18954 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,1,0,1,0,0|1,0,1]=4 18955 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,1,0,1,0,0|1,0,1]=4 18956 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,1,0,1,0,0|1,0,1]=4 18957 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,1,0,1,0,0|1,0,1]=4 18958 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,1,0,1,0,0|1,0,1]=4 18959 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,1,0,1,0,0|1,0,1]=4 18960 B12R1.291 C#CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000038162 [0,1,0,1,0,0|0,0,2]=4 18961 B12R1.291 C=CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210623 [0,1,0,1,0,0|0,0,2]=4 18962 B12R1.291 C=CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210623 [0,1,0,1,0,0|0,0,2]=4 18963 B12R1.291 CCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000210414 [0,1,0,1,0,0|2,0,0]=4 18964 B12R1.291 CCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000210414 [0,1,0,1,0,0|2,0,0]=4 18965 B12R1.291 CCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000210414 [0,1,0,1,0,0|2,0,0]=4 18966 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 18967 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 18968 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 18969 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,1,0,1,0,0|0,0,0]=2 18970 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,1,0,1,0,0|0,0,0]=2 18971 B12R1.291 CCCN1CCSC1C(=O)OC 2230a_100015296106_100000210303 [0,1,0,1,0,0|1,0,0]=3 18972 B12R1.291 CCCN1CCSC1C(=O)OC 269982a_100015296106_100000210303 [0,1,0,1,0,0|1,0,0]=3 18973 B12R1.291 CCCN1CSCC1C(=O)OC 269982a_200000724679_100000210303 [0,1,0,1,0,0|1,0,0]=3 18974 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,1,0,1,0,0|0,0,0]=2 18975 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,1,0,1,0,0|0,0,0]=2 18976 B12R1.291 CNC(=O)N1CCC[C@H]1COC 2708a_100102657272_100020646714 [0,1,0,1,0,0|2,0,0]=4 18977 B12R1.291 CNC(=O)N1CCC[C@H]1COC 273464a_100102657272_100020646714 [0,1,0,1,0,0|2,0,0]=4 18978 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 2230a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 18979 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 269982a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 18980 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 34a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 18981 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 2230a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 18982 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 269982a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 18983 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 34a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 18984 B12R1.291 CNC(=O)[C@@H]1CCCN1COC 2230a_100015185040_100000766300 [0,1,0,1,0,0|2,0,0]=4 18985 B12R1.291 CNC(=O)[C@@H]1CCCN1COC 269982a_100015185040_100000766300 [0,1,0,1,0,0|2,0,0]=4 18986 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 2230a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 18987 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 269982a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 18988 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 34a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 18989 B12R1.291 COC(=O)C1CCCC1OCF 34a_200000081814_100015361967 [0,1,0,1,0,0|1,0,0]=3 18990 B12R1.291 COC(=O)C1CCCC1OCF 7a_200000081814_100015361967 [0,1,0,1,0,0|1,0,0]=3 18991 B12R1.291 COC(=O)C1CSCN1CCF 269982a_200000724679_100011217306 [0,1,0,1,0,0|2,0,0]=4 18992 B12R1.291 COC(=O)C1CSCN1CCO 269982a_200000724679_100000211926 [0,1,0,1,0,0|2,0,0]=4 18993 B12R1.291 COC(=O)C1CSCN1CSC 269982a_200000724679_100011218213 [0,1,0,1,0,0|2,0,0]=4 18994 B12R1.291 COC(=O)C1SCCN1CCF 2230a_100015296106_100011217306 [0,1,0,1,0,0|2,0,0]=4 18995 B12R1.291 COC(=O)C1SCCN1CCF 269982a_100015296106_100011217306 [0,1,0,1,0,0|2,0,0]=4 18996 B12R1.291 COC(=O)C1SCCN1CCO 2230a_100015296106_100000211926 [0,1,0,1,0,0|2,0,0]=4 18997 B12R1.291 COC(=O)C1SCCN1CCO 269982a_100015296106_100000211926 [0,1,0,1,0,0|2,0,0]=4 18998 B12R1.291 COC(=O)C1SCCN1CSC 2230a_100015296106_100011218213 [0,1,0,1,0,0|2,0,0]=4 18999 B12R1.291 COC(=O)C1SCCN1CSC 269982a_100015296106_100011218213 [0,1,0,1,0,0|2,0,0]=4 19000 B12R1.291 COC(=O)[C@@H]1CCCN1CC#N 2230a_100000752040_100011215382 [0,1,0,1,0,0|1,0,1]=4 19001 B12R1.291 COC(=O)[C@@H]1CCCN1CC#N 269982a_100000752040_100011214920 [0,1,0,1,0,0|1,0,1]=4 19002 B12R1.291 COC(=O)[C@@H]1CCCN1CC=O 2230a_100000752040_200015260668 [0,1,0,1,0,0|1,0,1]=4 19003 B12R1.291 COC(=O)[C@@H]1CCCN1CC=O 269982a_100000752040_200015260668 [0,1,0,1,0,0|1,0,1]=4 19004 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 2230a_100000752040_100011217306 [0,1,0,1,0,0|1,0,0]=3 19005 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 269982a_100000752040_100011217306 [0,1,0,1,0,0|1,0,0]=3 19006 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 2230a_100000752040_100000211926 [0,1,0,1,0,0|1,0,0]=3 19007 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 269982a_100000752040_100000211926 [0,1,0,1,0,0|1,0,0]=3 19008 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 2230a_100000752040_100011218213 [0,1,0,1,0,0|1,0,0]=3 19009 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 269982a_100000752040_100011218213 [0,1,0,1,0,0|1,0,0]=3 19010 B12R1.291 COCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000766300 [0,1,0,1,0,0|1,0,0]=3 19011 B12R1.291 COCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000766300 [0,1,0,1,0,0|1,0,0]=3 19012 B12R1.291 COCN1CCSC1C(=O)OC 2230a_100015296106_100000766300 [0,1,0,1,0,0|2,0,0]=4 19013 B12R1.291 COCN1CCSC1C(=O)OC 269982a_100015296106_100000766300 [0,1,0,1,0,0|2,0,0]=4 19014 B12R1.291 COCN1CSCC1C(=O)OC 269982a_200000724679_100000766300 [0,1,0,1,0,0|2,0,0]=4 19015 B12R1.327 C#CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000688953 [0,1,0,1,0,0|0,0,2]=4 19016 B12R1.327 C#CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000730999 [0,1,0,1,0,0|0,0,2]=4 19017 B12R1.327 C/C=C/CN1CC[C@H]1C(=O)OC 269982a_102516456887_100102629194 [0,1,0,1,0,0|0,0,2]=4 19018 B12R1.327 C=CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000754431 [0,1,0,1,0,0|0,0,2]=4 19019 B12R1.327 C=CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000754431 [0,1,0,1,0,0|0,0,2]=4 19020 B12R1.327 CC#CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000748600 [0,1,0,1,0,0|0,0,2]=4 19021 B12R1.327 CC=CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000070051 [0,1,0,1,0,0|0,0,2]=4 19022 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [0,1,0,1,0,0|0,0,0]=2 19023 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [0,1,0,1,0,0|0,0,0]=2 19024 B12R1.327 CCOCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000739092 [0,1,0,1,0,0|1,0,0]=3 19025 B12R1.327 COC(=O)[C@@H]1CCN1CCC#N 2230a_102516456887_100011215226 [0,1,0,1,0,0|1,0,1]=4 19026 B12R1.327 COC(=O)[C@@H]1CCN1CCC#N 269982a_102516456887_100011215226 [0,1,0,1,0,0|1,0,1]=4 19027 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 2230a_102516456887_100011934791 [0,1,0,1,0,0|1,0,0]=3 19028 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 269982a_102516456887_100011934791 [0,1,0,1,0,0|1,0,0]=3 19029 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 2230a_102516456887_100000230001 [0,1,0,1,0,0|1,0,0]=3 19030 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 269982a_102516456887_100011215043 [0,1,0,1,0,0|1,0,0]=3 19031 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 2230a_102516456887_100000751147 [0,1,0,1,0,0|1,0,0]=3 19032 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 269982a_102516456887_100000212216 [0,1,0,1,0,0|1,0,0]=3 19033 B12R1.327 COCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011201679 [0,1,0,1,0,0|1,0,0]=3 19034 B12R1.327 COCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000233755 [0,1,0,1,0,0|1,0,0]=3 19035 B12R1.353 C#CC(=O)CCC1CCCN1C 1458a_100000211873_100000005710 [0,1,0,1,0,0|1,0,1]=4 19036 B12R1.353 C=CC(=O)CCC1CCCN1C 1458a_100000185746_100000005710 [0,1,0,1,0,0|1,0,1]=4 19037 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,1,0,1,0,0|1,0,0]=3 19038 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,1,0,0|1,0,0]=3 19039 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747405_200016002552 [0,1,0,1,0,0|2,0,0]=4 19040 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747405 [0,1,0,1,0,0|2,0,0]=4 19041 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210414 [0,1,0,1,0,0|2,0,0]=4 19042 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210414 [0,1,0,1,0,0|2,0,0]=4 19043 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,1,0,1,0,0|2,0,0]=4 19044 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737683 [0,1,0,1,0,0|1,0,0]=3 19045 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737683 [0,1,0,1,0,0|1,0,0]=3 19046 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737683 [0,1,0,1,0,0|1,0,0]=3 19047 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737683 [0,1,0,1,0,0|1,0,0]=3 19048 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 34a_100015189458_100012179268 [0,1,0,1,0,0|1,0,0]=3 19049 B12R1.353 CNC(=O)CCN1CCSC1C 2230a_200011216479_100000737683 [0,1,0,1,0,0|2,0,0]=4 19050 B12R1.353 CNC(=O)CCN1CCSC1C 269982a_200011216479_100000737683 [0,1,0,1,0,0|2,0,0]=4 19051 B12R1.353 CNC(=O)CCN1CCSC1C 34a_200011216479_100012179268 [0,1,0,1,0,0|2,0,0]=4 19052 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [0,1,0,1,0,0|1,0,0]=3 19053 B12R1.353 CNC(=O)CNC1CCOC1C 270004a_100000693194_100000691750 [0,1,0,1,0,0|2,0,0]=4 19054 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [0,1,0,1,0,0|1,0,0]=3 19055 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [0,1,0,1,0,0|1,0,0]=3 19056 B12R1.353 CNC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000183359 [0,1,0,1,0,0|2,0,0]=4 19057 B12R1.353 CNC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000183359 [0,1,0,1,0,0|2,0,0]=4 19058 B12R1.353 CNC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000183359 [0,1,0,1,0,0|2,0,0]=4 19059 B12R1.353 CNC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000183359_200016002552 [0,1,0,1,0,0|2,0,0]=4 19060 B12R1.353 CNC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000183359 [0,1,0,1,0,0|2,0,0]=4 19061 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_106832991635 [0,1,0,1,0,0|2,0,0]=4 19062 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100102657272_100009821018 [0,1,0,1,0,0|2,0,0]=4 19063 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100102657272 [0,1,0,1,0,0|2,0,0]=4 19064 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100102657272_100009821018 [0,1,0,1,0,0|2,0,0]=4 19065 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100102657272 [0,1,0,1,0,0|2,0,0]=4 19066 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_106832991638_100009821018 [0,1,0,1,0,0|2,0,0]=4 19067 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [0,1,0,1,0,0|0,0,0]=2 19068 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [0,1,0,1,0,0|0,0,0]=2 19069 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [0,1,0,1,0,0|0,0,0]=2 19070 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [0,1,0,1,0,0|0,0,0]=2 19071 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [0,1,0,1,0,0|0,0,0]=2 19072 B12R1.353 COC(=O)CCN1CCSC1C 2230a_200011216479_100000204255 [0,1,0,1,0,0|1,0,0]=3 19073 B12R1.353 COC(=O)CCN1CCSC1C 269982a_200011216479_100000204255 [0,1,0,1,0,0|1,0,0]=3 19074 B12R1.353 COC(=O)CCN1CCSC1C 34a_200011216479_100000742370 [0,1,0,1,0,0|1,0,0]=3 19075 B12R1.353 COC(=O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000747449 [0,1,0,1,0,0|2,0,0]=4 19076 B12R1.353 COC(=O)COC1CCCC1=O 34a_200000719330_100000747449 [0,1,0,1,0,0|1,0,1]=4 19077 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,1,0,1,0,0|0,0,0]=2 19078 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,1,0,1,0,0|0,0,0]=2 19079 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000747449 [0,1,0,1,0,0|1,0,0]=3 19080 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000747449 [0,1,0,1,0,0|1,0,0]=3 19081 B12R1.353 COC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000747449 [0,1,0,1,0,0|1,0,0]=3 19082 B12R1.353 COC(=O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100000747449 [0,1,0,1,0,0|2,0,0]=4 19083 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000211823_100000747449 [0,1,0,1,0,0|1,0,1]=4 19084 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000747449_100000211823 [0,1,0,1,0,0|1,0,1]=4 19085 B12R1.353 COC(=O)CSC1COCC1O 62a_100000747449_200000725654 [0,1,0,1,0,0|2,0,0]=4 19086 B12R1.353 COC(=O)CSC1COCC1O 62a_200000725654_100000747449 [0,1,0,1,0,0|2,0,0]=4 19087 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747449_200016002552 [0,1,0,1,0,0|1,0,0]=3 19088 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747449 [0,1,0,1,0,0|1,0,0]=3 19089 B12R1.353 CO[C@H](C)CNC1CCCC1C 269862a_100020591295_100000752053 [0,1,0,1,0,0|1,0,1]=4 19090 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000741757 [0,1,0,1,0,0|2,0,0]=4 19091 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000741757 [0,1,0,1,0,0|2,0,0]=4 19092 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000741757 [0,1,0,1,0,0|2,0,0]=4 19093 B12R1.355 CNC(=O)CCOCC1CC1C 34a_100000744939_100012179268 [0,1,0,1,0,0|1,0,0]=3 19094 B12R1.355 CNC(=O)CCOCC1CC1C 7a_100000744939_100000737683 [0,1,0,1,0,0|1,0,0]=3 19095 B12R1.355 COC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218270 [0,1,0,1,0,0|1,0,0]=3 19096 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011218270 [0,1,0,1,0,0|1,0,0]=3 19097 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000742333 [0,1,0,1,0,0|1,0,0]=3 19098 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,1,0,1,0,0|0,0,0]=2 19099 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,1,0,1,0,0|0,0,0]=2 19100 B12R1.356 CCC(=O)NCCNC1CCC1 270004a_100132302217_100000241760 [0,1,0,1,0,0|2,0,0]=4 19101 B12R1.356 CCC(=O)NCCNC1CCC1 34a_100132302217_100000749161 [0,1,0,1,0,0|2,0,0]=4 19102 B12R1.356 CCC(=O)NCCOC1CCC1 34a_200000158885_100000749161 [0,1,0,1,0,0|2,0,0]=4 19103 B12R1.356 CNC(=O)CCCNC1CCC1 2230a_100000749019_100000741757 [0,1,0,1,0,0|1,0,0]=3 19104 B12R1.356 CNC(=O)CCCNC1CCC1 270004a_100000740002_100000241760 [0,1,0,1,0,0|1,0,0]=3 19105 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000740002_100000749161 [0,1,0,1,0,0|1,0,0]=3 19106 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000749019_100000741757 [0,1,0,1,0,0|1,0,0]=3 19107 B12R1.356 CNC(=O)CCCNC1COC1 2230a_100016991112_100000741757 [0,1,0,1,0,0|2,0,0]=4 19108 B12R1.356 CNC(=O)CCCNC1COC1 34a_100000740002_100009818527 [0,1,0,1,0,0|2,0,0]=4 19109 B12R1.356 CNC(=O)CCCOC1CCC1 34a_100000748187_100000741757 [0,1,0,1,0,0|1,0,0]=3 19110 B12R1.356 CNC(=O)CCCOC1CSC1 7a_100000072292_100000741757 [0,1,0,1,0,0|2,0,0]=4 19111 B12R1.356 CNC(=O)CCCSC1CCC1 62a_100000741757_100000749161 [0,1,0,1,0,0|1,0,0]=3 19112 B12R1.356 CNC(=O)CCCSC1COC1 62a_100000741757_100009818527 [0,1,0,1,0,0|2,0,0]=4 19113 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738227_100000763275 [0,1,0,1,0,0|1,0,0]=3 19114 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738700_100000737683 [0,1,0,1,0,0|1,0,0]=3 19115 B12R1.356 CNC(=O)CCNCC1CCC1 269862a_100000738227_100000753134 [0,1,0,1,0,0|1,0,0]=3 19116 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738227_100000763275 [0,1,0,1,0,0|1,0,0]=3 19117 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738700_100012179268 [0,1,0,1,0,0|1,0,0]=3 19118 B12R1.356 CNC(=O)CCNCC1CCO1 2230a_100000738227_100000103362 [0,1,0,1,0,0|2,0,0]=4 19119 B12R1.356 CNC(=O)CCNCC1CCO1 34a_100000738227_100000103362 [0,1,0,1,0,0|2,0,0]=4 19120 B12R1.356 CNC(=O)CCNCC1COC1 2230a_100000738227_100010264016 [0,1,0,1,0,0|2,0,0]=4 19121 B12R1.356 CNC(=O)CCNCC1COC1 2230a_100015281925_100000737683 [0,1,0,1,0,0|2,0,0]=4 19122 B12R1.356 CNC(=O)CCNCC1COC1 34a_100000738227_100010264016 [0,1,0,1,0,0|2,0,0]=4 19123 B12R1.356 CNC(=O)CCNCC1COC1 34a_100015281925_100012179268 [0,1,0,1,0,0|2,0,0]=4 19124 B12R1.356 CNC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000737683 [0,1,0,1,0,0|2,0,0]=4 19125 B12R1.356 CNC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100012179268 [0,1,0,1,0,0|2,0,0]=4 19126 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000754576_100000763275 [0,1,0,1,0,0|1,0,0]=3 19127 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000760304_100012179268 [0,1,0,1,0,0|1,0,0]=3 19128 B12R1.356 CNC(=O)CCOCC1CCO1 34a_100000039022_100012179268 [0,1,0,1,0,0|2,0,0]=4 19129 B12R1.356 CNC(=O)CCOCC1CCO1 34a_100000754576_100000103362 [0,1,0,1,0,0|2,0,0]=4 19130 B12R1.356 CNC(=O)CCOCC1CNC1 34a_100016987283_100012179268 [0,1,0,1,0,0|2,0,0]=4 19131 B12R1.356 CNC(=O)CCOCC1COC1 34a_100000060846_100012179268 [0,1,0,1,0,0|2,0,0]=4 19132 B12R1.356 CNC(=O)CCOCC1COC1 34a_100000754576_100010264016 [0,1,0,1,0,0|2,0,0]=4 19133 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000737683_100000763275 [0,1,0,1,0,0|1,0,0]=3 19134 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000763275_100000737683 [0,1,0,1,0,0|1,0,0]=3 19135 B12R1.356 CNC(=O)CCSCC1CCO1 62a_100000103362_100000737683 [0,1,0,1,0,0|2,0,0]=4 19136 B12R1.356 CNC(=O)CCSCC1CCO1 62a_100000737683_100000103362 [0,1,0,1,0,0|2,0,0]=4 19137 B12R1.356 CNC(=O)CCSCC1COC1 62a_100000737683_100010264016 [0,1,0,1,0,0|2,0,0]=4 19138 B12R1.356 CNC(=O)CCSCC1COC1 62a_100010264016_100000737683 [0,1,0,1,0,0|2,0,0]=4 19139 B12R1.356 CNC(=O)COCCC1COC1 34a_100009855314_100000183359 [0,1,0,1,0,0|2,0,0]=4 19140 B12R1.356 CNC(=O)NCCNC1CCC1 34a_100015205895_100000749161 [0,1,0,1,0,0|2,0,0]=4 19141 B12R1.356 CNC(=O)OCCNC1CCC1 34a_100000749019_200011997002 [0,1,0,1,0,0|2,0,0]=4 19142 B12R1.356 CNC(=O)OCCOC1CCC1 34a_100000748187_200011997002 [0,1,0,1,0,0|2,0,0]=4 19143 B12R1.356 CNC(=O)OCCSC1CCC1 62a_200011997002_100000749161 [0,1,0,1,0,0|2,0,0]=4 19144 B12R1.356 COC(=O)/C=C/CNC1CCC1 2230a_100000749019_100000742655 [0,1,0,1,0,0|0,0,2]=4 19145 B12R1.356 COC(=O)/C=C/CNC1CCC1 34a_100000749019_100000742655 [0,1,0,1,0,0|0,0,2]=4 19146 B12R1.356 COC(=O)/C=C/COC1CCC1 34a_100000748187_100000742655 [0,1,0,1,0,0|0,0,2]=4 19147 B12R1.356 COC(=O)/C=C/CSC1CCC1 62a_100000742655_100000749161 [0,1,0,1,0,0|0,0,2]=4 19148 B12R1.356 COC(=O)C=NNCC1CCC1 4a_200020586977_200011823558 [0,1,0,1,0,0|1,0,1]=4 19149 B12R1.356 COC(=O)CC=NNC1CCC1 4a_100000736358_200011552997 [0,1,0,1,0,0|1,0,1]=4 19150 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,1,0,1,0,0|0,0,0]=2 19151 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [0,1,0,1,0,0|0,0,0]=2 19152 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [0,1,0,1,0,0|0,0,0]=2 19153 B12R1.356 COC(=O)CCCNC1COC1 2230a_100016991112_100011218270 [0,1,0,1,0,0|1,0,0]=3 19154 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,1,0,1,0,0|0,0,0]=2 19155 B12R1.356 COC(=O)CCCOC1CSC1 7a_100000072292_100011218270 [0,1,0,1,0,0|1,0,0]=3 19156 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [0,1,0,1,0,0|0,0,0]=2 19157 B12R1.356 COC(=O)CCCSC1COC1 62a_100011218270_100009818527 [0,1,0,1,0,0|1,0,0]=3 19158 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [0,1,0,1,0,0|0,0,0]=2 19159 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [0,1,0,1,0,0|0,0,0]=2 19160 B12R1.356 COC(=O)CCNCC1COC1 2230a_100015281925_100000204255 [0,1,0,1,0,0|1,0,0]=3 19161 B12R1.356 COC(=O)CCNCC1COC1 34a_100015281925_100000742370 [0,1,0,1,0,0|1,0,0]=3 19162 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000204255 [0,1,0,1,0,0|1,0,0]=3 19163 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000742370 [0,1,0,1,0,0|1,0,0]=3 19164 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,1,0,1,0,0|0,0,0]=2 19165 B12R1.356 COC(=O)CCOCC1CCO1 34a_100000039022_100000742370 [0,1,0,1,0,0|1,0,0]=3 19166 B12R1.356 COC(=O)CCOCC1CNC1 34a_100016987283_100000742370 [0,1,0,1,0,0|1,0,0]=3 19167 B12R1.356 COC(=O)CCOCC1COC1 34a_100000060846_100000742370 [0,1,0,1,0,0|1,0,0]=3 19168 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [0,1,0,1,0,0|0,0,0]=2 19169 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [0,1,0,1,0,0|0,0,0]=2 19170 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000103362_100000204255 [0,1,0,1,0,0|1,0,0]=3 19171 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000204255_100000103362 [0,1,0,1,0,0|1,0,0]=3 19172 B12R1.356 COC(=O)CCSCC1COC1 62a_100000204255_100010264016 [0,1,0,1,0,0|1,0,0]=3 19173 B12R1.356 COC(=O)CCSCC1COC1 62a_100010264016_100000204255 [0,1,0,1,0,0|1,0,0]=3 19174 B12R1.356 COC(=O)COCCC1COC1 34a_100009855314_100000747449 [0,1,0,1,0,0|1,0,0]=3 19175 B12R1.356 COC(=O)NCCOC1CCC1 34a_100000757965_100000749161 [0,1,0,1,0,0|1,0,0]=3 19176 B12R1.356 COC(=O)NCCOC1COC1 34a_100000757965_100009818527 [0,1,0,1,0,0|2,0,0]=4 19177 B12R1.356 COC(=O)OCCOC1CCC1 34a_100010262106_100000749161 [0,1,0,1,0,0|1,0,0]=3 19178 B12R1.356 COC(=O)OCCOC1COC1 34a_100010262106_100009818527 [0,1,0,1,0,0|2,0,0]=4 19179 B12R1.356 COC(=O)OCSCC1CCC1 62a_100000763275_100000139417 [0,1,0,1,0,0|1,0,0]=3 19180 B12R1.356 COC(=O)OCSCC1CCO1 62a_100000103362_100000139417 [0,1,0,1,0,0|2,0,0]=4 19181 B12R1.356 COC(=O)OCSCC1COC1 62a_100010264016_100000139417 [0,1,0,1,0,0|2,0,0]=4 19182 B12R1.356 COC(C)CCOCC1CCC1 7a_100000764861_100000763275 [0,1,0,1,0,0|1,0,1]=4 19183 B12R1.356 NNC(=O)CCCOC1CCC1 34a_100000211488_100000749161 [0,1,0,1,0,0|2,0,0]=4 19184 B12R1.360 CCC(=O)COCCCC1CO1 34a_100000725409_100000733510 [0,1,0,1,0,0|2,0,0]=4 19185 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000733510_100000747405 [0,1,0,1,0,0|2,0,0]=4 19186 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000747405_100000733510 [0,1,0,1,0,0|2,0,0]=4 19187 B12R1.360 CCC(=O)NCCNCC1CC1 269862a_100132302217_100000741477 [0,1,0,1,0,0|2,0,0]=4 19188 B12R1.360 CCC(=O)NCCNCC1CC1 34a_100132302217_100000742324 [0,1,0,1,0,0|2,0,0]=4 19189 B12R1.360 CCC(=O)NCCOCC1CC1 34a_200000158885_100000742324 [0,1,0,1,0,0|2,0,0]=4 19190 B12R1.360 CCC(=O)NCCOCC1CC1 7a_200000158885_100000742324 [0,1,0,1,0,0|2,0,0]=4 19191 B12R1.360 CCC(=O)OCCOCC1CC1 7a_200000031056_100000742324 [0,1,0,1,0,0|2,0,0]=4 19192 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000735609_100000741757 [0,1,0,1,0,0|1,0,0]=3 19193 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000740002_100000742324 [0,1,0,1,0,0|1,0,0]=3 19194 B12R1.360 CNC(=O)CCCNCC1CC1 269862a_100000740002_100000741477 [0,1,0,1,0,0|1,0,0]=3 19195 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000735609_100000741757 [0,1,0,1,0,0|1,0,0]=3 19196 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000740002_100000742324 [0,1,0,1,0,0|1,0,0]=3 19197 B12R1.360 CNC(=O)CCCNCC1CO1 2230a_100000740002_100011216344 [0,1,0,1,0,0|2,0,0]=4 19198 B12R1.360 CNC(=O)CCCNCC1CO1 34a_100000740002_102125554688 [0,1,0,1,0,0|2,0,0]=4 19199 B12R1.360 CNC(=O)CCCOCC1CC1 34a_100000211283_100000741757 [0,1,0,1,0,0|1,0,0]=3 19200 B12R1.360 CNC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000741757 [0,1,0,1,0,0|2,0,0]=4 19201 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000741757_100000742324 [0,1,0,1,0,0|1,0,0]=3 19202 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000756562_100000741757 [0,1,0,1,0,0|1,0,0]=3 19203 B12R1.360 CNC(=O)CCCSCC1CO1 62a_100000741757_102125554688 [0,1,0,1,0,0|2,0,0]=4 19204 B12R1.360 CNC(=O)CCCSCC1CO1 62a_102125554688_100000741757 [0,1,0,1,0,0|2,0,0]=4 19205 B12R1.360 CNC(=O)CCCSCC1CS1 62a_100000031435_100000741757 [0,1,0,1,0,0|2,0,0]=4 19206 B12R1.360 CNC(=O)CCCSCC1CS1 62a_100000741757_100000031435 [0,1,0,1,0,0|2,0,0]=4 19207 B12R1.360 CNC(=O)CCCSC[C@@H]1CO1 62a_100000741757_100000745022 [0,1,0,1,0,0|2,0,0]=4 19208 B12R1.360 CNC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100000741757 [0,1,0,1,0,0|2,0,0]=4 19209 B12R1.360 CNC(=O)CCNCCC1CC1 2230a_100000738227_100000694398 [0,1,0,1,0,0|1,0,0]=3 19210 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000738227_100000694398 [0,1,0,1,0,0|1,0,0]=3 19211 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000764129_100012179268 [0,1,0,1,0,0|1,0,0]=3 19212 B12R1.360 CNC(=O)CCNCCC1CO1 2230a_100000738227_100000732470 [0,1,0,1,0,0|2,0,0]=4 19213 B12R1.360 CNC(=O)CCNCCC1CO1 34a_100000738227_100000732470 [0,1,0,1,0,0|2,0,0]=4 19214 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754188_100012179268 [0,1,0,1,0,0|1,0,0]=3 19215 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754576_100000694398 [0,1,0,1,0,0|1,0,0]=3 19216 B12R1.360 CNC(=O)CCOCCC1CC1 7a_100000754188_100000737683 [0,1,0,1,0,0|1,0,0]=3 19217 B12R1.360 CNC(=O)CCOCCC1CO1 34a_100000754576_100000732470 [0,1,0,1,0,0|2,0,0]=4 19218 B12R1.360 CNC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100012179268 [0,1,0,1,0,0|2,0,0]=4 19219 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000737683_100000764125 [0,1,0,1,0,0|1,0,0]=3 19220 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000764125_100000737683 [0,1,0,1,0,0|1,0,0]=3 19221 B12R1.360 CNC(=O)CCSCCC1CO1 62a_100000732470_100000737683 [0,1,0,1,0,0|2,0,0]=4 19222 B12R1.360 CNC(=O)CCSCCC1CO1 62a_100000737683_100000732470 [0,1,0,1,0,0|2,0,0]=4 19223 B12R1.360 CNC(=O)CNCCCC1CO1 2230a_100000693194_100000733510 [0,1,0,1,0,0|2,0,0]=4 19224 B12R1.360 CNC(=O)COCCCC1CO1 34a_100000750040_100000733510 [0,1,0,1,0,0|2,0,0]=4 19225 B12R1.360 CNC(=O)COCCNC1CC1 34a_100000738766_100000183359 [0,1,0,1,0,0|2,0,0]=4 19226 B12R1.360 CNC(=O)CSCCCC1CO1 62a_100000183359_100000733510 [0,1,0,1,0,0|2,0,0]=4 19227 B12R1.360 CNC(=O)CSCCCC1CO1 62a_100000733510_100000183359 [0,1,0,1,0,0|2,0,0]=4 19228 B12R1.360 CNC(=O)NCCNCC1CC1 269862a_100015205895_100000741477 [0,1,0,1,0,0|2,0,0]=4 19229 B12R1.360 CNC(=O)NCCNCC1CC1 34a_100015205895_100000742324 [0,1,0,1,0,0|2,0,0]=4 19230 B12R1.360 CNC(=O)OCCNCC1CC1 34a_100000735609_200011997002 [0,1,0,1,0,0|2,0,0]=4 19231 B12R1.360 CNC(=O)OCCOCC1CC1 34a_100000211283_200011997002 [0,1,0,1,0,0|2,0,0]=4 19232 B12R1.360 CNC(=O)OCCSCC1CC1 62a_100000756562_200011997002 [0,1,0,1,0,0|2,0,0]=4 19233 B12R1.360 CNC(=O)OCCSCC1CC1 62a_200011997002_100000742324 [0,1,0,1,0,0|2,0,0]=4 19234 B12R1.360 COC(=O)/C=C/CNCC1CC1 2230a_100000735609_100000742655 [0,1,0,1,0,0|0,0,2]=4 19235 B12R1.360 COC(=O)/C=C/CNCC1CC1 34a_100000735609_100000742655 [0,1,0,1,0,0|0,0,2]=4 19236 B12R1.360 COC(=O)/C=C/COCC1CC1 34a_100000211283_100000742655 [0,1,0,1,0,0|0,0,2]=4 19237 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000742655_100000742324 [0,1,0,1,0,0|0,0,2]=4 19238 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000756562_100000742655 [0,1,0,1,0,0|0,0,2]=4 19239 B12R1.360 COC(=O)CC=NNCC1CC1 4a_100000736359_200011552997 [0,1,0,1,0,0|1,0,1]=4 19240 B12R1.360 COC(=O)CCC=NNC1CC1 4a_100000701032_100012047195 [0,1,0,1,0,0|1,0,1]=4 19241 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [0,1,0,1,0,0|0,0,0]=2 19242 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [0,1,0,1,0,0|0,0,0]=2 19243 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [0,1,0,1,0,0|0,0,0]=2 19244 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [0,1,0,1,0,0|0,0,0]=2 19245 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [0,1,0,1,0,0|0,0,0]=2 19246 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,1,0,1,0,0|0,0,0]=2 19247 B12R1.360 COC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000742333 [0,1,0,1,0,0|1,0,0]=3 19248 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [0,1,0,1,0,0|0,0,0]=2 19249 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [0,1,0,1,0,0|0,0,0]=2 19250 B12R1.360 COC(=O)CCCSCC1CO1 62a_100011218270_102125554688 [0,1,0,1,0,0|1,0,0]=3 19251 B12R1.360 COC(=O)CCCSCC1CO1 62a_102125554688_100011218270 [0,1,0,1,0,0|1,0,0]=3 19252 B12R1.360 COC(=O)CCCSCC1CS1 62a_100000031435_100011218270 [0,1,0,1,0,0|1,0,0]=3 19253 B12R1.360 COC(=O)CCCSCC1CS1 62a_100011218270_100000031435 [0,1,0,1,0,0|1,0,0]=3 19254 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011218270 [0,1,0,1,0,0|1,0,0]=3 19255 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100011218270_100000745022 [0,1,0,1,0,0|1,0,0]=3 19256 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [0,1,0,1,0,0|0,0,0]=2 19257 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,1,0,1,0,0|0,0,0]=2 19258 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,1,0,1,0,0|0,0,0]=2 19259 B12R1.360 COC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000742370 [0,1,0,1,0,0|1,0,0]=3 19260 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [0,1,0,1,0,0|0,0,0]=2 19261 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [0,1,0,1,0,0|0,0,0]=2 19262 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000204255_100000732470 [0,1,0,1,0,0|1,0,0]=3 19263 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000732470_100000204255 [0,1,0,1,0,0|1,0,0]=3 19264 B12R1.360 COC(=O)COCC#CC1CC1 34a_100000083941_100000747449 [0,1,0,1,0,0|0,0,2]=4 19265 B12R1.360 COC(=O)COCC#CC1CC1 7a_100000083941_100000747449 [0,1,0,1,0,0|0,0,2]=4 19266 B12R1.360 COC(=O)COCCNC1CC1 34a_100000212008_100000090808 [0,1,0,1,0,0|1,0,0]=3 19267 B12R1.360 COC(=O)COCCNC1CC1 34a_100000738766_100000747449 [0,1,0,1,0,0|1,0,0]=3 19268 B12R1.360 COC(=O)COCCSC1CC1 62a_100000090808_100000211595 [0,1,0,1,0,0|1,0,0]=3 19269 B12R1.360 COC(=O)CSCC#CC1CC1 62a_100000747449_100009895102 [0,1,0,1,0,0|0,0,2]=4 19270 B12R1.360 COC(=O)CSCC#CC1CC1 62a_100009895102_100000747449 [0,1,0,1,0,0|0,0,2]=4 19271 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000733510_100000747449 [0,1,0,1,0,0|1,0,0]=3 19272 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000747449_100000733510 [0,1,0,1,0,0|1,0,0]=3 19273 B12R1.360 COC(=O)NCCOCC1CC1 34a_100000757965_100000742324 [0,1,0,1,0,0|1,0,0]=3 19274 B12R1.360 COC(=O)NCCOCC1CO1 34a_100000757965_102125554688 [0,1,0,1,0,0|2,0,0]=4 19275 B12R1.360 COC(=O)OCCOCC1CC1 34a_100010262106_100000742324 [0,1,0,1,0,0|1,0,0]=3 19276 B12R1.360 COC(=O)OCCOCC1CO1 34a_100010262106_102125554688 [0,1,0,1,0,0|2,0,0]=4 19277 B12R1.360 COC(=O)OCSCCC1CC1 62a_100000764125_100000139417 [0,1,0,1,0,0|1,0,0]=3 19278 B12R1.360 COC(=O)OCSCCC1CO1 62a_100000732470_100000139417 [0,1,0,1,0,0|2,0,0]=4 19279 B12R1.360 COC(C)CCOCCC1CC1 7a_100000764861_100000764125 [0,1,0,1,0,0|1,0,1]=4 19280 B12R1.360 NNC(=O)CCCOCC1CC1 34a_100000211488_100000742324 [0,1,0,1,0,0|2,0,0]=4 19281 B12R1.364 CCC(C)CCOC1CCC1=O 7a_100011215188_100009892977 [0,1,0,1,0,0|2,0,0]=4 19282 B12R1.364 CCC(C)NCCC1CCC1=O 2230a_100000209981_200016118888 [0,1,0,1,0,0|2,0,0]=4 19283 B12R1.364 CCC(C)OCCC1CCC1=O 7a_100000210228_200016118888 [0,1,0,1,0,0|2,0,0]=4 19284 B12R1.364 CCC(C)SCCC1CCC1=O 62a_100000758301_200016118888 [0,1,0,1,0,0|2,0,0]=4 19285 B12R1.364 CCC(C)SCCC1CCC1=O 62a_200016118888_100000758301 [0,1,0,1,0,0|2,0,0]=4 19286 B12R1.364 CNC(=O)CCCN1CCC1C 269982a_100000755817_100000741757 [0,1,0,1,0,0|1,0,0]=3 19287 B12R1.364 CNC(=O)CCCN1CCC1C 34a_100000755817_100000741757 [0,1,0,1,0,0|1,0,0]=3 19288 B12R1.364 CNC(=O)OCCN1CCC1C 269982a_100000755817_200011997002 [0,1,0,1,0,0|2,0,0]=4 19289 B12R1.364 CNC(=O)OCCN1CCC1C 34a_100000755817_200011997002 [0,1,0,1,0,0|2,0,0]=4 19290 B12R1.364 COC(=O)/C=C/CN1CCC1C 269982a_100000755817_100000742655 [0,1,0,1,0,0|0,0,2]=4 19291 B12R1.364 COC(=O)/C=C/CN1CCC1C 34a_100000755817_100000742655 [0,1,0,1,0,0|0,0,2]=4 19292 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [0,1,0,1,0,0|0,0,0]=2 19293 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [0,1,0,1,0,0|0,0,0]=2 19294 B12R1.364 COC(=O)CCSC1CCC1=O 62a_100000204255_100009892977 [0,1,0,1,0,0|1,0,1]=4 19295 B12R1.364 COC(=O)CCSC1CCC1=O 62a_100009892977_100000204255 [0,1,0,1,0,0|1,0,1]=4 19296 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [0,1,0,1,0,0|1,0,1]=4 19297 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,1,0,1,0,0|1,0,0]=3 19298 B12R1.365 CN1CCCCCC1C(=O)CF 1458a_100015187800_100015361967 [0,1,0,1,0,0|2,0,0]=4 19299 B12R1.365 CNC(=O)C1CCCCCN1C 240690a_100102657272_100015187800 [0,1,0,1,0,0|1,0,0]=3 19300 B12R1.365 CNC(=O)C1CCCCCN1C 527a_100102657272_100015187800 [0,1,0,1,0,0|1,0,0]=3 19301 B12R1.371 C#CC(=O)CC1CCCCN1C 1458a_100000211873_100015185383 [0,1,0,1,0,0|1,0,1]=4 19302 B12R1.371 C=CC(=O)CC1CCCCN1C 1458a_100000185746_100015185383 [0,1,0,1,0,0|1,0,1]=4 19303 B12R1.371 C=CC(=O)NC1CCCCC1C 1626a_100000211402_100000185746 [0,1,0,1,0,0|1,0,1]=4 19304 B12R1.371 C=CC(=O)NC1CCCCC1C 240690a_100000211402_200121576911 [0,1,0,1,0,0|1,0,1]=4 19305 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,1,0,1,0,0|2,0,0]=4 19306 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,1,0,1,0,0|2,0,0]=4 19307 B12R1.371 CCC(=O)CC1CCCCN1C 1458a_100000210414_100015185383 [0,1,0,1,0,0|1,0,0]=3 19308 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,1,0,1,0,0|1,0,0]=3 19309 B12R1.371 CCC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747405 [0,1,0,1,0,0|2,0,0]=4 19310 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,1,0,1,0,0|1,0,0]=3 19311 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,1,0,1,0,0|1,0,0]=3 19312 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,1,0,1,0,0|1,0,0]=3 19313 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,1,0,1,0,0|1,0,0]=3 19314 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210414 [0,1,0,1,0,0|2,0,0]=4 19315 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210414 [0,1,0,1,0,0|2,0,0]=4 19316 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000210414 [0,1,0,1,0,0|2,0,0]=4 19317 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000210414 [0,1,0,1,0,0|2,0,0]=4 19318 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210414 [0,1,0,1,0,0|2,0,0]=4 19319 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210414 [0,1,0,1,0,0|2,0,0]=4 19320 B12R1.371 CN1CCCCC1CC(=O)CO 1458a_100000210174_100015185383 [0,1,0,1,0,0|2,0,0]=4 19321 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 19322 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 19323 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 19324 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 19325 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 19326 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 19327 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,1,0,1,0,0|1,0,0]=3 19328 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,1,0,1,0,0|1,0,0]=3 19329 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,1,0,1,0,0|1,0,0]=3 19330 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,1,0,1,0,0|1,0,0]=3 19331 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,1,0,1,0,0|1,0,0]=3 19332 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,1,0,1,0,0|1,0,0]=3 19333 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100102657272_100015191688 [0,1,0,1,0,0|2,0,0]=4 19334 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100102657272_100015191688 [0,1,0,1,0,0|2,0,0]=4 19335 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_106832991635 [0,1,0,1,0,0|2,0,0]=4 19336 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100102657272_100015195156 [0,1,0,1,0,0|2,0,0]=4 19337 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100102657272 [0,1,0,1,0,0|2,0,0]=4 19338 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100102657272_100015195156 [0,1,0,1,0,0|2,0,0]=4 19339 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100102657272 [0,1,0,1,0,0|2,0,0]=4 19340 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_106832991638_100015195156 [0,1,0,1,0,0|2,0,0]=4 19341 B12R1.371 COC(=O)CC1COCCN1C 2230a_100000731486_200000210301 [0,1,0,1,0,0|1,0,0]=3 19342 B12R1.371 COC(=O)CC1COCCN1C 34a_100000731486_200000210301 [0,1,0,1,0,0|1,0,0]=3 19343 B12R1.371 COC(=O)CC1COCCN1[13CH3] 2230a_100000731486_200025704644 [0,1,0,1,0,0|1,0,0]=3 19344 B12R1.371 COC(=O)CC1COCCN1[13CH3] 34a_100000731486_200025704644 [0,1,0,1,0,0|1,0,0]=3 19345 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,1,0,1,0,0|0,0,0]=2 19346 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,1,0,1,0,0|0,0,0]=2 19347 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,1,0,1,0,0|0,0,0]=2 19348 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747449 [0,1,0,1,0,0|1,0,0]=3 19349 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747449 [0,1,0,1,0,0|1,0,0]=3 19350 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000747449 [0,1,0,1,0,0|1,0,0]=3 19351 B12R1.382 CCCCN1CCCC(C1)OC 2230a_100000695604_100000210211 [0,1,0,1,0,0|1,0,1]=4 19352 B12R1.382 CCCCN1CCCC(C1)OC 269982a_100000695604_100000210211 [0,1,0,1,0,0|1,0,1]=4 19353 B12R1.382 CCCCN1CCCC(C1)OC 34a_100000695604_100000210210 [0,1,0,1,0,0|1,0,1]=4 19354 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|1,0,0]=3 19355 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|1,0,0]=3 19356 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,1,0,0|1,0,0]=3 19357 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,1,0,0|1,0,0]=3 19358 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,1,0,1,0,0|1,0,0]=3 19359 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,1,0,1,0,0|1,0,0]=3 19360 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,1,0,1,0,0|1,0,0]=3 19361 B12R1.383 CCCCOCSC1CCC1=O 62a_100009892977_100011995733 [0,1,0,1,0,0|2,0,0]=4 19362 B12R1.383 CCCCOCSC1CCC1=O 62a_100011995733_100009892977 [0,1,0,1,0,0|2,0,0]=4 19363 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,1,0,1,0,0|1,0,0]=3 19364 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,1,0,1,0,0|1,0,0]=3 19365 B12R1.383 CCCOCCNC1CCC1=O 34a_100161115042_100009892977 [0,1,0,1,0,0|2,0,0]=4 19366 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,1,0,1,0,0|2,0,0]=4 19367 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,1,0,1,0,0|2,0,0]=4 19368 B12R1.383 CCCOCCSC1CCC1=O 62a_100009892977_100011215938 [0,1,0,1,0,0|2,0,0]=4 19369 B12R1.383 CCCOCCSC1CCC1=O 62a_100011215938_100009892977 [0,1,0,1,0,0|2,0,0]=4 19370 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,1,0,1,0,0|2,0,0]=4 19371 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,1,0,1,0,0|2,0,0]=4 19372 B12R1.383 CCOCCCNC1CCC1=O 34a_100000210961_100009892977 [0,1,0,1,0,0|2,0,0]=4 19373 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,1,0,1,0,0|2,0,0]=4 19374 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,1,0,1,0,0|2,0,0]=4 19375 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [0,1,0,1,0,0|2,0,0]=4 19376 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [0,1,0,1,0,0|2,0,0]=4 19377 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [0,1,0,1,0,0|2,0,0]=4 19378 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [0,1,0,1,0,0|2,0,0]=4 19379 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,1,0,1,0,0|2,0,0]=4 19380 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,1,0,1,0,0|2,0,0]=4 19381 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,1,0,1,0,0|2,0,0]=4 19382 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [0,1,0,1,0,0|2,0,0]=4 19383 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [0,1,0,1,0,0|2,0,0]=4 19384 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,1,0,1,0,0|2,0,0]=4 19385 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,1,0,1,0,0|2,0,0]=4 19386 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,1,0,1,0,0|2,0,0]=4 19387 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,1,0,1,0,0|2,0,0]=4 19388 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,1,0,1,0,0|2,0,0]=4 19389 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,1,0,1,0,0|2,0,0]=4 19390 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,1,0,1,0,0|2,0,0]=4 19391 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,1,0,1,0,0|2,0,0]=4 19392 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,1,0,1,0,0|2,0,0]=4 19393 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,1,0,1,0,0|2,0,0]=4 19394 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,1,0,1,0,0|2,0,0]=4 19395 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,1,0,1,0,0|2,0,0]=4 19396 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,1,0,1,0,0|2,0,0]=4 19397 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,1,0,1,0,0|2,0,0]=4 19398 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,1,0,1,0,0|2,0,0]=4 19399 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,1,0,1,0,0|2,0,0]=4 19400 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,1,0,1,0,0|2,0,0]=4 19401 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,1,0,1,0,0|2,0,0]=4 19402 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,1,0,1,0,0|2,0,0]=4 19403 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,1,0,1,0,0|2,0,0]=4 19404 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,1,0,1,0,0|2,0,0]=4 19405 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,1,0,1,0,0|2,0,0]=4 19406 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,1,0,1,0,0|2,0,0]=4 19407 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,1,0,1,0,0|2,0,0]=4 19408 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,1,0,1,0,0|2,0,0]=4 19409 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,1,0,1,0,0|2,0,0]=4 19410 B12R1.455 CCCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210326 [0,1,0,1,0,0|1,0,1]=4 19411 B12R1.455 CCCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210215 [0,1,0,1,0,0|1,0,1]=4 19412 B12R1.477 C#CC(=O)CCCC1CCCC1 1458a_100000211873_100011713738 [0,1,0,1,0,0|1,0,1]=4 19413 B12R1.477 C#CC(=O)CCCN1CCCC1 1458a_100000211873_100011445909 [0,1,0,1,0,0|1,0,1]=4 19414 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [0,1,0,1,0,0|1,0,1]=4 19415 B12R1.477 C=CC(=O)CCCN1CCCC1 1458a_100000185746_100011445909 [0,1,0,1,0,0|1,0,1]=4 19416 B12R1.477 C=CC(=O)NCCC1CCCC1 1626a_100000739158_100000185746 [0,1,0,1,0,0|1,0,1]=4 19417 B12R1.477 C=CC(=O)NCCC1CCCC1 240690a_100000739158_200121576911 [0,1,0,1,0,0|1,0,1]=4 19418 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|1,0,0]=3 19419 B12R1.477 CCC(=O)CCCC1OCCO1 1458a_100000210414_100000042513 [0,1,0,1,0,0|2,0,0]=4 19420 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,1,0,1,0,0|1,0,0]=3 19421 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,1,0,1,0,0|1,0,0]=3 19422 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,1,0,0|1,0,0]=3 19423 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,1,0,0|1,0,0]=3 19424 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [0,1,0,1,0,0|2,0,0]=4 19425 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [0,1,0,1,0,0|2,0,0]=4 19426 B12R1.477 CCC(=O)COCC1CCOC1 34a_100000725409_100011261433 [0,1,0,1,0,0|2,0,0]=4 19427 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,1,0,1,0,0|1,0,0]=3 19428 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,1,0,1,0,0|1,0,0]=3 19429 B12R1.477 CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210202 [0,1,0,1,0,0|2,0,0]=4 19430 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000203698_100000747405 [0,1,0,1,0,0|2,0,0]=4 19431 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000747405_100000203698 [0,1,0,1,0,0|2,0,0]=4 19432 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000702531_100000747405 [0,1,0,1,0,0|2,0,0]=4 19433 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000747405_100000702531 [0,1,0,1,0,0|2,0,0]=4 19434 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,1,0,0|1,0,0]=3 19435 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,1,0,0|1,0,0]=3 19436 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,1,0,0|1,0,0]=3 19437 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,1,0,0|1,0,0]=3 19438 B12R1.477 CCC(=O)NCCN1CCCC1 240690a_100000212299_100000210414 [0,1,0,1,0,0|2,0,0]=4 19439 B12R1.477 CNC(=O)CCCN1CCCC1 2230a_100000188435_100000741757 [0,1,0,1,0,0|1,0,0]=3 19440 B12R1.477 CNC(=O)CCCN1CCCC1 240690a_100102657272_100000743284 [0,1,0,1,0,0|1,0,0]=3 19441 B12R1.477 CNC(=O)CCCN1CCCC1 269982a_100000188435_100000741757 [0,1,0,1,0,0|1,0,0]=3 19442 B12R1.477 CNC(=O)CCCN1CCSC1 2230a_100011215254_100000741757 [0,1,0,1,0,0|2,0,0]=4 19443 B12R1.477 CNC(=O)CCCN1CCSC1 269982a_100011215254_100000741757 [0,1,0,1,0,0|2,0,0]=4 19444 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [0,1,0,1,0,0|1,0,0]=3 19445 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [0,1,0,1,0,0|1,0,0]=3 19446 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [0,1,0,1,0,0|1,0,0]=3 19447 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [0,1,0,1,0,0|1,0,0]=3 19448 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [0,1,0,1,0,0|1,0,0]=3 19449 B12R1.477 CNC(=O)CCNC1CCOC1 2230a_100000738227_100000731011 [0,1,0,1,0,0|2,0,0]=4 19450 B12R1.477 CNC(=O)CCNC1CCOC1 270004a_100000738227_100000752484 [0,1,0,1,0,0|2,0,0]=4 19451 B12R1.477 CNC(=O)CCNC1CCOC1 34a_100000738227_100000690089 [0,1,0,1,0,0|2,0,0]=4 19452 B12R1.477 CNC(=O)CCNC1CCSC1 270004a_100000738227_100000212027 [0,1,0,1,0,0|2,0,0]=4 19453 B12R1.477 CNC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000737683 [0,1,0,1,0,0|2,0,0]=4 19454 B12R1.477 CNC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000737683 [0,1,0,1,0,0|2,0,0]=4 19455 B12R1.477 CNC(=O)CCN[C@H]1CCOC1 34a_100015188467_100012179268 [0,1,0,1,0,0|2,0,0]=4 19456 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,1,0,1,0,0|1,0,0]=3 19457 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,1,0,1,0,0|1,0,0]=3 19458 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,1,0,1,0,0|1,0,0]=3 19459 B12R1.477 CNC(=O)CCOC1CCCO1 34a_100000085407_100012179268 [0,1,0,1,0,0|2,0,0]=4 19460 B12R1.477 CNC(=O)CCOC1CCOC1 34a_100000754576_100000690089 [0,1,0,1,0,0|2,0,0]=4 19461 B12R1.477 CNC(=O)CCOC1CCSC1 7a_100011232664_100000737683 [0,1,0,1,0,0|2,0,0]=4 19462 B12R1.477 CNC(=O)CCO[C@H]1CCOC1 34a_100000717292_100012179268 [0,1,0,1,0,0|2,0,0]=4 19463 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [0,1,0,1,0,0|1,0,0]=3 19464 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [0,1,0,1,0,0|1,0,0]=3 19465 B12R1.477 CNC(=O)CCSC1CCOC1 62a_100000737683_100000690089 [0,1,0,1,0,0|2,0,0]=4 19466 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,1,0,1,0,0|1,0,0]=3 19467 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,1,0,1,0,0|1,0,0]=3 19468 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,1,0,1,0,0|1,0,0]=3 19469 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,1,0,1,0,0|1,0,0]=3 19470 B12R1.477 CNC(=O)CNCC1CCCO1 2230a_100000693194_100000203698 [0,1,0,1,0,0|2,0,0]=4 19471 B12R1.477 CNC(=O)CNCC1CCOC1 2230a_100000693194_100000702531 [0,1,0,1,0,0|2,0,0]=4 19472 B12R1.477 CNC(=O)CNCC1CCOC1 2230a_100000737293_100000183359 [0,1,0,1,0,0|2,0,0]=4 19473 B12R1.477 CNC(=O)CNCC1CCOC1 34a_100000737293_100000183359 [0,1,0,1,0,0|2,0,0]=4 19474 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183359 [0,1,0,1,0,0|2,0,0]=4 19475 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183359 [0,1,0,1,0,0|2,0,0]=4 19476 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,1,0,1,0,0|1,0,0]=3 19477 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,1,0,1,0,0|1,0,0]=3 19478 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,1,0,1,0,0|1,0,0]=3 19479 B12R1.477 CNC(=O)COCC1CCCO1 11a_106832991635_100011223388 [0,1,0,1,0,0|2,0,0]=4 19480 B12R1.477 CNC(=O)COCC1CCCO1 1626a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 19481 B12R1.477 CNC(=O)COCC1CCCO1 240690a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 19482 B12R1.477 CNC(=O)COCC1CCCO1 34a_100000210270_100000183359 [0,1,0,1,0,0|2,0,0]=4 19483 B12R1.477 CNC(=O)COCC1CCCO1 527a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 19484 B12R1.477 CNC(=O)COCC1CCCO1 7a_100000210270_100000183359 [0,1,0,1,0,0|2,0,0]=4 19485 B12R1.477 CNC(=O)COCC1CCNC1 34a_100000748654_100000183359 [0,1,0,1,0,0|2,0,0]=4 19486 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000740260_100000183359 [0,1,0,1,0,0|2,0,0]=4 19487 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000750040_100011261433 [0,1,0,1,0,0|2,0,0]=4 19488 B12R1.477 CNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 19489 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,1,0,1,0,0|1,0,0]=3 19490 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,1,0,1,0,0|1,0,0]=3 19491 B12R1.477 CNC(=O)CSCC1CCCO1 11a_106832991635_100000217298 [0,1,0,1,0,0|2,0,0]=4 19492 B12R1.477 CNC(=O)CSCC1CCCO1 1626a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 19493 B12R1.477 CNC(=O)CSCC1CCCO1 240690a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 19494 B12R1.477 CNC(=O)CSCC1CCCO1 527a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 19495 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000183359_100000203698 [0,1,0,1,0,0|2,0,0]=4 19496 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000203698_100000183359 [0,1,0,1,0,0|2,0,0]=4 19497 B12R1.477 CNC(=O)CSCC1CCOC1 62a_100000183359_100000702531 [0,1,0,1,0,0|2,0,0]=4 19498 B12R1.477 CNC(=O)CSCC1CCOC1 62a_100000702531_100000183359 [0,1,0,1,0,0|2,0,0]=4 19499 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,1,0,1,0,0|1,0,0]=3 19500 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,1,0,1,0,0|1,0,0]=3 19501 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,1,0,1,0,0|1,0,0]=3 19502 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,1,0,1,0,0|1,0,0]=3 19503 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,1,0,1,0,0|1,0,0]=3 19504 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,1,0,1,0,0|1,0,0]=3 19505 B12R1.477 CNC(=O)NCCN1CCCC1 2708a_100102657272_100000212299 [0,1,0,1,0,0|2,0,0]=4 19506 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100000212299_100102657272 [0,1,0,1,0,0|2,0,0]=4 19507 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100102657272_100000212299 [0,1,0,1,0,0|2,0,0]=4 19508 B12R1.477 CNC(=O)OCCN1CCCC1 269982a_100000188435_200011997002 [0,1,0,1,0,0|2,0,0]=4 19509 B12R1.477 COC(=O)/C=C/CN1CCCC1 2230a_100000188435_100000742655 [0,1,0,1,0,0|0,0,2]=4 19510 B12R1.477 COC(=O)/C=C/CN1CCCC1 269982a_100000188435_100000742655 [0,1,0,1,0,0|0,0,2]=4 19511 B12R1.477 COC(=O)C=NNC1CCCC1 4a_100000737850_200011823558 [0,1,0,1,0,0|1,0,1]=4 19512 B12R1.477 COC(=O)CCCN1CC=CC1 269982a_100015195280_100011218270 [0,1,0,1,0,0|0,0,2]=4 19513 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,1,0,1,0,0|0,0,0]=2 19514 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,1,0,1,0,0|0,0,0]=2 19515 B12R1.477 COC(=O)CCCN1CCSC1 2230a_100011215254_100011218270 [0,1,0,1,0,0|1,0,0]=3 19516 B12R1.477 COC(=O)CCCN1CCSC1 269982a_100011215254_100011218270 [0,1,0,1,0,0|1,0,0]=3 19517 B12R1.477 COC(=O)CCNC1CC=CC1 2230a_100015188752_100000204255 [0,1,0,1,0,0|0,0,2]=4 19518 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,1,0,1,0,0|0,0,0]=2 19519 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,1,0,1,0,0|0,0,0]=2 19520 B12R1.477 COC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000204255 [0,1,0,1,0,0|1,0,0]=3 19521 B12R1.477 COC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000204255 [0,1,0,1,0,0|1,0,0]=3 19522 B12R1.477 COC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000742370 [0,1,0,1,0,0|1,0,0]=3 19523 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,1,0,1,0,0|0,0,0]=2 19524 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,1,0,1,0,0|0,0,0]=2 19525 B12R1.477 COC(=O)CCOC1CCCO1 34a_100000085407_100000742370 [0,1,0,1,0,0|1,0,0]=3 19526 B12R1.477 COC(=O)CCOC1CCSC1 7a_100011232664_100000204255 [0,1,0,1,0,0|1,0,0]=3 19527 B12R1.477 COC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000742370 [0,1,0,1,0,0|1,0,0]=3 19528 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,1,0,1,0,0|0,0,0]=2 19529 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,1,0,1,0,0|0,0,0]=2 19530 B12R1.477 COC(=O)CCSC1CCOC1 62a_100000204255_100000690089 [0,1,0,1,0,0|1,0,0]=3 19531 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,1,0,1,0,0|0,0,0]=2 19532 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,1,0,1,0,0|0,0,0]=2 19533 B12R1.477 COC(=O)CNCC1CCOC1 2230a_100000737293_100000747449 [0,1,0,1,0,0|1,0,0]=3 19534 B12R1.477 COC(=O)CNCC1CCOC1 34a_100000737293_100000747449 [0,1,0,1,0,0|1,0,0]=3 19535 B12R1.477 COC(=O)CNCC1OCCO1 2230a_100000036311_100000747449 [0,1,0,1,0,0|2,0,0]=4 19536 B12R1.477 COC(=O)CNCC1OCCO1 34a_100000036311_100000747449 [0,1,0,1,0,0|2,0,0]=4 19537 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [0,1,0,1,0,0|1,0,0]=3 19538 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [0,1,0,1,0,0|1,0,0]=3 19539 B12R1.477 COC(=O)COCC1CC=CC1 34a_100000688395_100000747449 [0,1,0,1,0,0|0,0,2]=4 19540 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,1,0,1,0,0|0,0,0]=2 19541 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,1,0,1,0,0|0,0,0]=2 19542 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [0,1,0,1,0,0|1,0,0]=3 19543 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [0,1,0,1,0,0|1,0,0]=3 19544 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [0,1,0,1,0,0|1,0,0]=3 19545 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [0,1,0,1,0,0|1,0,0]=3 19546 B12R1.477 COC(=O)COCC1COCO1 34a_100011216627_100000747449 [0,1,0,1,0,0|2,0,0]=4 19547 B12R1.477 COC(=O)COCC1OCCO1 34a_100000087154_100000747449 [0,1,0,1,0,0|2,0,0]=4 19548 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [0,1,0,1,0,0|1,0,0]=3 19549 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,1,0,1,0,0|0,0,0]=2 19550 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,1,0,1,0,0|0,0,0]=2 19551 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [0,1,0,1,0,0|1,0,0]=3 19552 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [0,1,0,1,0,0|1,0,0]=3 19553 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000702531_100000747449 [0,1,0,1,0,0|1,0,0]=3 19554 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000747449_100000702531 [0,1,0,1,0,0|1,0,0]=3 19555 B12R1.477 COC(=O)CSCC1OCCO1 62a_100000747449_100000755774 [0,1,0,1,0,0|2,0,0]=4 19556 B12R1.477 COC(=O)CSCC1OCCO1 62a_100000755774_100000747449 [0,1,0,1,0,0|2,0,0]=4 19557 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,1,0,1,0,0|1,0,0]=3 19558 B12R1.477 COC(C)CCOC1CCCC1 7a_100000764861_100000179811 [0,1,0,1,0,0|1,0,1]=4 19559 B12R1.477 COC(C)COCC1CCCC1 34a_100000690652_100000740388 [0,1,0,1,0,0|1,0,1]=4 19560 B12R1.477 COC(C)SCCC1CCCC1 62a_100000760354_100009879195 [0,1,0,1,0,0|1,0,1]=4 19561 B12R1.477 COC(C)SCCC1CCCC1 62a_100009879195_100000760354 [0,1,0,1,0,0|1,0,1]=4 19562 B12R1.477 CO[C@H](C)CNCC1CCCC1 2230a_100020591295_100000740388 [0,1,0,1,0,0|1,0,1]=4 19563 B12R1.477 CO[C@H](C)CNCC1CCCC1 269862a_100020591295_100000746403 [0,1,0,1,0,0|1,0,1]=4 19564 B12R1.477 O=C(CF)CCCN1CCCC1 1458a_100000743284_100015361967 [0,1,0,1,0,0|2,0,0]=4 19565 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|2,0,0]=4 19566 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [0,1,0,1,0,0|2,0,0]=4 19567 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,1,0,0|2,0,0]=4 19568 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,1,0,0|2,0,0]=4 19569 B12R1.821 CCCCCCOCC1(CO1)C 34a_100000210259_100000760498 [0,1,0,1,0,0|1,0,1]=4 19570 B12R1.821 CCCCCCSCC1(CO1)C 62a_100000210314_100000760498 [0,1,0,1,0,0|1,0,1]=4 19571 B12R1.821 CCCCCCSCC1(CO1)C 62a_100000760498_100000210757 [0,1,0,1,0,0|1,0,1]=4 19572 B12R1.1412 C#CCCCN1CC1C(=O)OC 2230a_200009830135_100000731252 [0,1,0,1,0,0|0,0,2]=4 19573 B12R1.1412 C=CCCCN1CC1C(=O)OC 2230a_200009830135_100011713584 [0,1,0,1,0,0|0,0,2]=4 19574 B12R1.1412 CC/C=C\CN1CC1C(=O)OC 2230a_200009830135_100103147603 [0,1,0,1,0,0|0,0,2]=4 19575 B12R1.1412 CCC#CCN1CC1C(=O)OC 2230a_200009830135_100009813939 [0,1,0,1,0,0|0,0,2]=4 19576 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [0,1,0,1,0,0|0,0,0]=2 19577 B12R1.1412 CCOCCN1CC1C(=O)OC 2230a_200009830135_100011215890 [0,1,0,1,0,0|1,0,0]=3 19578 B12R1.1412 CCSCCN1CC1C(=O)OC 2230a_200009830135_100000757381 [0,1,0,1,0,0|1,0,0]=3 19579 B12R1.1412 COC(=O)C1CN1CCCC#N 2230a_200009830135_100000687738 [0,1,0,1,0,0|1,0,1]=4 19580 B12R1.1412 COC(=O)C1CN1CCCC=O 2230a_200009830135_200011292268 [0,1,0,1,0,0|1,0,1]=4 19581 B12R1.1412 COC(=O)C1CN1CCCCF 2230a_200009830135_100000729493 [0,1,0,1,0,0|1,0,0]=3 19582 B12R1.1412 COC(=O)C1CN1CCCCO 2230a_200009830135_100000210776 [0,1,0,1,0,0|1,0,0]=3 19583 B12R1.1412 COCCCN1CC1C(=O)OC 2230a_200009830135_100000740836 [0,1,0,1,0,0|1,0,0]=3 19584 B12R1.1659 C=CC(=O)N1CCCCCCC1 1626a_100000211400_100000185746 [0,1,0,1,0,0|1,0,1]=4 19585 B12R1.1659 C=CC(=O)N1CCCCCCC1 240690a_100000211400_200121576911 [0,1,0,1,0,0|1,0,1]=4 19586 B12R1.1659 CCC(=O)C1CC/C=C\CCC1 1458a_100000210414_100021000466 [0,1,0,1,0,0|1,0,1]=4 19587 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,1,0,1,0,0|1,0,0]=3 19588 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,1,0,1,0,0|1,0,0]=3 19589 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,1,0,1,0,0|1,0,0]=3 19590 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,1,0,1,0,0|1,0,0]=3 19591 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [0,1,0,1,0,0|1,0,0]=3 19592 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [0,1,0,1,0,0|1,0,0]=3 19593 B12R1.1659 COC(C)N1CCCCCCC1 269982a_100000211400_100009879195 [0,1,0,1,0,0|1,0,1]=4 19594 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,1,0,1,0,0|2,0,0]=4 19595 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,1,0,1,0,0|2,0,0]=4 19596 B12R1.1748 C#CC(=O)CC1CCCCCC1 1458a_100000211873_200000696569 [0,1,0,1,0,0|1,0,1]=4 19597 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,1,0,1,0,0|1,0,1]=4 19598 B12R1.1748 C=CC(=O)NC1CCCCCC1 1626a_100000210984_100000185746 [0,1,0,1,0,0|1,0,1]=4 19599 B12R1.1748 C=CC(=O)NC1CCCCCC1 240690a_100000210984_200121576911 [0,1,0,1,0,0|1,0,1]=4 19600 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,1,0,1,0,0|1,0,1]=4 19601 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,1,0,1,0,0|1,0,0]=3 19602 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,1,0,1,0,0|1,0,0]=3 19603 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,1,0,1,0,0|1,0,0]=3 19604 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,1,0,1,0,0|1,0,0]=3 19605 B12R1.1748 CCC(=O)CN1CCCOCC1 269982a_100000685342_100000747405 [0,1,0,1,0,0|2,0,0]=4 19606 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,1,0,1,0,0|1,0,0]=3 19607 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,1,0,1,0,0|1,0,0]=3 19608 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,1,0,1,0,0|1,0,0]=3 19609 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,1,0,1,0,0|1,0,0]=3 19610 B12R1.1748 CNC(=O)C=C1CCCCCC1 11a_106832991635_100011240665 [0,1,0,1,0,0|1,0,1]=4 19611 B12R1.1748 CNC(=O)C=C1CCCCCC1 1626a_100102657272_100011240665 [0,1,0,1,0,0|1,0,1]=4 19612 B12R1.1748 CNC(=O)C=C1CCCCCC1 240690a_100102657272_100011240665 [0,1,0,1,0,0|1,0,1]=4 19613 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,1,0,1,0,0|1,0,0]=3 19614 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 19615 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 19616 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 19617 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [0,1,0,1,0,0|1,0,0]=3 19618 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 19619 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [0,1,0,1,0,0|1,0,0]=3 19620 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 19621 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 19622 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [0,1,0,1,0,0|1,0,0]=3 19623 B12R1.1748 CNC(=O)CN1CCCOCC1 2230a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 19624 B12R1.1748 CNC(=O)CN1CCCOCC1 269982a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 19625 B12R1.1748 CNC(=O)CN1CCCOCC1 34a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 19626 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,1,0,1,0,0|1,0,0]=3 19627 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,1,0,1,0,0|1,0,0]=3 19628 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,1,0,1,0,0|1,0,0]=3 19629 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,1,0,1,0,0|1,0,0]=3 19630 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,1,0,1,0,0|1,0,0]=3 19631 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,1,0,1,0,0|0,0,0]=2 19632 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,1,0,1,0,0|0,0,0]=2 19633 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,1,0,1,0,0|0,0,0]=2 19634 B12R1.1748 COC(=O)CN1CCCOCC1 2230a_100000685342_100000747449 [0,1,0,1,0,0|1,0,0]=3 19635 B12R1.1748 COC(=O)CN1CCCOCC1 269982a_100000685342_100000747449 [0,1,0,1,0,0|1,0,0]=3 19636 B12R1.1748 COC(=O)CN1CCCOCC1 34a_100000685342_100000747449 [0,1,0,1,0,0|1,0,0]=3 19637 B12R1.1748 COC(C)SC1CCCCCC1 62a_100009879195_100011217769 [0,1,0,1,0,0|1,0,1]=4 19638 B12R1.1748 COC(C)SC1CCCCCC1 62a_100011217769_100009879195 [0,1,0,1,0,0|1,0,1]=4 19639 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,1,0,1,0,0|2,0,0]=4 19640 B12R1.1748 O=C(CF)CN1CCCCCC1 1458a_100000740298_100015361967 [0,1,0,1,0,0|2,0,0]=4 19641 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,1,0,1,0,0|2,0,0]=4 19642 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,1,0,1,0,0|2,0,0]=4 19643 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,1,0,1,0,0|2,0,0]=4 19644 B12R1.1761 CCCCCCN1CC(C1)OC 269982a_100000755009_100000210757 [0,1,0,1,0,0|1,0,1]=4 19645 B12R1.1761 CCCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210326 [0,1,0,1,0,0|1,0,1]=4 19646 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,1,0,1,0,0|1,0,0]=3 19647 B12R1.43 C=C(C)C(=O)CC1CCCCO1 1458a_100000185857_100000211543 [0,1,0,1,0,0|2,0,0]=4 19648 B12R1.43 C=C(C)C(=O)CC1CCCOC1 1458a_100000185857_100000741521 [0,1,0,1,0,0|2,0,0]=4 19649 B12R1.43 C=C(C)C(=O)CC1CCOCC1 1458a_100000185857_100000754603 [0,1,0,1,0,0|2,0,0]=4 19650 B12R1.43 C=C(C)C(=O)NC1CCCCC1 11a_100000182618_100000185857 [0,1,0,1,0,0|2,0,0]=4 19651 B12R1.43 C=C(C)C(=O)NC1CCCCC1 1626a_100000182618_100000185857 [0,1,0,1,0,0|2,0,0]=4 19652 B12R1.43 CC(=O)C(=O)NC1CCCCC1 1458a_200011297149_200000210301 [0,1,0,1,0,0|2,0,0]=4 19653 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000210198_100000211423 [0,1,0,1,0,0|1,0,0]=3 19654 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000211666_100000210206 [0,1,0,1,0,0|1,0,0]=3 19655 B12R1.43 CC(C)C(=O)CC1CCCCO1 1458a_100000210198_100000211543 [0,1,0,1,0,0|2,0,0]=4 19656 B12R1.43 CC(C)C(=O)CC1CCCCO1 1458a_100000238585_100000210206 [0,1,0,1,0,0|2,0,0]=4 19657 B12R1.43 CC(C)C(=O)CC1CCCOC1 1458a_100000210198_100000741521 [0,1,0,1,0,0|2,0,0]=4 19658 B12R1.43 CC(C)C(=O)CC1CCCOC1 1458a_100000741523_100000210206 [0,1,0,1,0,0|2,0,0]=4 19659 B12R1.43 CC(C)C(=O)CC1CCOCC1 1458a_100000210198_100000754603 [0,1,0,1,0,0|2,0,0]=4 19660 B12R1.43 CC(C)C(=O)CC1CCOCC1 1458a_100000757261_100000210206 [0,1,0,1,0,0|2,0,0]=4 19661 B12R1.43 CC(C)C(=O)CN1CCCCC1 1458a_100000740322_100000210206 [0,1,0,1,0,0|2,0,0]=4 19662 B12R1.43 CC(C)C(=O)NC1CCCCC1 11a_100000182618_100000210198 [0,1,0,1,0,0|2,0,0]=4 19663 B12R1.43 CC(C)C(=O)NC1CCCCC1 1626a_100000182618_100000210198 [0,1,0,1,0,0|2,0,0]=4 19664 B12R1.43 CC(C)C(=O)NC1CCCCC1 240690a_100000182618_100000210198 [0,1,0,1,0,0|2,0,0]=4 19665 B12R1.43 CC(C)C(=O)NC1CCCCC1 527a_100000182618_100000210198 [0,1,0,1,0,0|2,0,0]=4 19666 B12R1.43 CC(F)C(=O)CC1CCCCC1 1458a_100000062450_100000211423 [0,1,0,1,0,0|1,0,0]=3 19667 B12R1.43 CC(F)C(=O)CC1CCCCO1 1458a_100000062450_100000211543 [0,1,0,1,0,0|2,0,0]=4 19668 B12R1.43 CC(F)C(=O)CC1CCCOC1 1458a_100000062450_100000741521 [0,1,0,1,0,0|2,0,0]=4 19669 B12R1.43 CC(F)C(=O)CC1CCOCC1 1458a_100000062450_100000754603 [0,1,0,1,0,0|2,0,0]=4 19670 B12R1.43 CC(F)C(=O)NC1CCCCC1 11a_100000182618_100000062450 [0,1,0,1,0,0|2,0,0]=4 19671 B12R1.43 CC(F)C(=O)NC1CCCCC1 1626a_100000182618_100000062450 [0,1,0,1,0,0|2,0,0]=4 19672 B12R1.43 CC(F)C(=O)NC1CCCCC1 240690a_100000182618_100000062450 [0,1,0,1,0,0|2,0,0]=4 19673 B12R1.43 CC(F)C(=O)NC1CCCCC1 527a_100000182618_100000062450 [0,1,0,1,0,0|2,0,0]=4 19674 B12R1.43 CN(C)C(=O)CC1CCCCC1 11a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 19675 B12R1.43 CN(C)C(=O)CC1CCCCC1 1626a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 19676 B12R1.43 CN(C)C(=O)CC1CCCCC1 240690a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 19677 B12R1.43 CN(C)C(=O)CC1CCCCC1 527a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 19678 B12R1.43 CN(C)C(=O)CC1CCCCO1 11a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 19679 B12R1.43 CN(C)C(=O)CC1CCCCO1 1626a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 19680 B12R1.43 CN(C)C(=O)CC1CCCCO1 240690a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 19681 B12R1.43 CN(C)C(=O)CC1CCCCO1 527a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 19682 B12R1.43 CN(C)C(=O)CC1CCCOC1 11a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 19683 B12R1.43 CN(C)C(=O)CC1CCCOC1 1626a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 19684 B12R1.43 CN(C)C(=O)CC1CCCOC1 240690a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 19685 B12R1.43 CN(C)C(=O)CC1CCCOC1 527a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 19686 B12R1.43 CN(C)C(=O)CC1CCOCC1 11a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 19687 B12R1.43 CN(C)C(=O)CC1CCOCC1 1626a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 19688 B12R1.43 CN(C)C(=O)CC1CCOCC1 240690a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 19689 B12R1.43 CN(C)C(=O)CC1CCOCC1 527a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 19690 B12R1.43 CN(C)C(=O)CN1CCCCC1 11a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 19691 B12R1.43 CN(C)C(=O)CN1CCCCC1 240690a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 19692 B12R1.43 CN(C)C(=O)CN1CCCCC1 527a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 19693 B12R1.43 CN(C)C(=O)NC1CCCCC1 2708a_100000182618_100102631434 [0,1,0,1,0,0|2,0,0]=4 19694 B12R1.43 C[C@@H](O)C(=O)CC1CCCCC1 1458a_100000717761_100000211423 [0,1,0,1,0,0|1,0,0]=3 19695 B12R1.43 C[C@@H](O)C(=O)CC1CCCCO1 1458a_100000717761_100000211543 [0,1,0,1,0,0|2,0,0]=4 19696 B12R1.43 C[C@@H](O)C(=O)CC1CCCOC1 1458a_100000717761_100000741521 [0,1,0,1,0,0|2,0,0]=4 19697 B12R1.43 C[C@@H](O)C(=O)CC1CCOCC1 1458a_100000717761_100000754603 [0,1,0,1,0,0|2,0,0]=4 19698 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 240690a_100000182618_100000717761 [0,1,0,1,0,0|2,0,0]=4 19699 B12R1.43 C[C@H](O)C(=O)CC1CCCCC1 1458a_217856618621_100000211423 [0,1,0,1,0,0|1,0,0]=3 19700 B12R1.43 C[C@H](O)C(=O)CC1CCCCO1 1458a_217856618621_100000211543 [0,1,0,1,0,0|2,0,0]=4 19701 B12R1.43 C[C@H](O)C(=O)CC1CCCOC1 1458a_217856618621_100000741521 [0,1,0,1,0,0|2,0,0]=4 19702 B12R1.43 C[C@H](O)C(=O)CC1CCOCC1 1458a_217856618621_100000754603 [0,1,0,1,0,0|2,0,0]=4 19703 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 1626a_100000182618_217856618621 [0,1,0,1,0,0|2,0,0]=4 19704 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 240690a_100000182618_217856618621 [0,1,0,1,0,0|2,0,0]=4 19705 B12R1.43 O=C(CC1CCCCC1)C(O)O 1458a_100000233687_100000211423 [0,1,0,1,0,0|2,0,0]=4 19706 B12R1.43 [13CH3]C(=O)C(=O)NC1CCCCC1 1458a_200011297149_200025704644 [0,1,0,1,0,0|2,0,0]=4 19707 B12R1.80 C=C(C)C(=O)N1CCCC1CC 11a_100000754278_100000185857 [0,1,0,1,0,0|2,0,0]=4 19708 B12R1.80 C=C(C)C(=O)N1CCCC1CC 1626a_100000754278_100000185857 [0,1,0,1,0,0|2,0,0]=4 19709 B12R1.80 CCC1CCCN1C(=O)C(C)C 11a_100000754278_100000210198 [0,1,0,1,0,0|2,0,0]=4 19710 B12R1.80 CCC1CCCN1C(=O)C(C)C 1626a_100000754278_100000210198 [0,1,0,1,0,0|2,0,0]=4 19711 B12R1.80 CCC1CCCN1C(=O)C(C)C 240690a_100000754278_100000210198 [0,1,0,1,0,0|2,0,0]=4 19712 B12R1.80 CCC1CCCN1C(=O)C(C)C 527a_100000754278_100000210198 [0,1,0,1,0,0|2,0,0]=4 19713 B12R1.80 CCC1CCCN1C(=O)C(C)F 11a_100000754278_100000062450 [0,1,0,1,0,0|2,0,0]=4 19714 B12R1.80 CCC1CCCN1C(=O)C(C)F 1626a_100000754278_100000062450 [0,1,0,1,0,0|2,0,0]=4 19715 B12R1.80 CCC1CCCN1C(=O)C(C)F 240690a_100000754278_100000062450 [0,1,0,1,0,0|2,0,0]=4 19716 B12R1.80 CCC1CCCN1C(=O)C(C)F 527a_100000754278_100000062450 [0,1,0,1,0,0|2,0,0]=4 19717 B12R1.80 CCC1CCCN1C(=O)[C@@H](C)O 240690a_100000754278_100000717761 [0,1,0,1,0,0|2,0,0]=4 19718 B12R1.80 CCC1CCCN1C(=O)[C@H](C)O 1626a_100000754278_217856618621 [0,1,0,1,0,0|2,0,0]=4 19719 B12R1.80 CCC1CCCN1C(=O)[C@H](C)O 240690a_100000754278_217856618621 [0,1,0,1,0,0|2,0,0]=4 19720 B12R1.80 CCN1CCCC1C(=O)C(C)C 1458a_106256033941_100000210206 [0,1,0,1,0,0|2,0,0]=4 19721 B12R1.80 CCN1CCCC1C(=O)N(C)C 240690a_100102631434_106256033941 [0,1,0,1,0,0|2,0,0]=4 19722 B12R1.80 CCN1CCCC1C(=O)N(C)C 527a_100102631434_106256033941 [0,1,0,1,0,0|2,0,0]=4 19723 B12R1.80 CCN1CCC[C@H]1C(=O)N(C)C 2230a_100020603401_100000210202 [0,1,0,1,0,0|2,0,0]=4 19724 B12R1.80 CCN1CCC[C@H]1C(=O)N(C)C 34a_100020603401_100000210202 [0,1,0,1,0,0|2,0,0]=4 19725 B12R1.124 C=C(C)C(=O)N1CCCCC1C 11a_100000211376_100000185857 [0,1,0,1,0,0|2,0,0]=4 19726 B12R1.124 C=C(C)C(=O)N1CCCCC1C 1626a_100000211376_100000185857 [0,1,0,1,0,0|2,0,0]=4 19727 B12R1.124 CC(C)C(=O)C1CCCCC1C 1458a_100011215568_100000210206 [0,1,0,1,0,0|1,0,0]=3 19728 B12R1.124 CC(C)C(=O)C1CCCCC1O 1458a_100011803323_100000210206 [0,1,0,1,0,0|2,0,0]=4 19729 B12R1.124 CC(C)C(=O)N1CCCCC1C 11a_100000211376_100000210198 [0,1,0,1,0,0|2,0,0]=4 19730 B12R1.124 CC(C)C(=O)N1CCCCC1C 1626a_100000211376_100000210198 [0,1,0,1,0,0|2,0,0]=4 19731 B12R1.124 CC(C)C(=O)N1CCCCC1C 240690a_100000211376_100000210198 [0,1,0,1,0,0|2,0,0]=4 19732 B12R1.124 CC(C)C(=O)N1CCCCC1C 527a_100000211376_100000210198 [0,1,0,1,0,0|2,0,0]=4 19733 B12R1.124 CC(C)C(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210206 [0,1,0,1,0,0|2,0,0]=4 19734 B12R1.124 CC(F)C(=O)N1CCCCC1C 11a_100000211376_100000062450 [0,1,0,1,0,0|2,0,0]=4 19735 B12R1.124 CC(F)C(=O)N1CCCCC1C 1626a_100000211376_100000062450 [0,1,0,1,0,0|2,0,0]=4 19736 B12R1.124 CC(F)C(=O)N1CCCCC1C 240690a_100000211376_100000062450 [0,1,0,1,0,0|2,0,0]=4 19737 B12R1.124 CC(F)C(=O)N1CCCCC1C 527a_100000211376_100000062450 [0,1,0,1,0,0|2,0,0]=4 19738 B12R1.124 CC1CCCCC1C(=O)N(C)C 11a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 19739 B12R1.124 CC1CCCCC1C(=O)N(C)C 1626a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 19740 B12R1.124 CC1CCCCC1C(=O)N(C)C 240690a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 19741 B12R1.124 CC1CCCCC1C(=O)N(C)C 527a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 19742 B12R1.124 CC1CCCCN1C(=O)[C@@H](C)O 240690a_100000211376_100000717761 [0,1,0,1,0,0|2,0,0]=4 19743 B12R1.124 CC1CCCCN1C(=O)[C@H](C)O 1626a_100000211376_217856618621 [0,1,0,1,0,0|2,0,0]=4 19744 B12R1.124 CC1CCCCN1C(=O)[C@H](C)O 240690a_100000211376_217856618621 [0,1,0,1,0,0|2,0,0]=4 19745 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 11a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 19746 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 1626a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 19747 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 240690a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 19748 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 527a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 19749 B12R1.145 CC(=O)C(=O)CN1CCC[C@@H]1C 269982a_100020605311_100011261029 [0,1,0,1,0,0|2,0,0]=4 19750 B12R1.145 CC(=O)C(=O)CN1CCC[C@H]1C 269982a_100015189458_100011261029 [0,1,0,1,0,0|2,0,0]=4 19751 B12R1.145 CC(=O)C(=O)CN1CCC[C@H]1C 34a_100015189458_100011261029 [0,1,0,1,0,0|2,0,0]=4 19752 B12R1.145 CC(C)C(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000753385 [0,1,0,1,0,0|2,0,0]=4 19753 B12R1.145 CC(C)C(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000753385 [0,1,0,1,0,0|2,0,0]=4 19754 B12R1.145 CC(C)C(=O)CN1CCC[C@H]1C 2230a_100015189458_100000753385 [0,1,0,1,0,0|2,0,0]=4 19755 B12R1.145 CC(C)C(=O)CN1CCC[C@H]1C 269982a_100015189458_100000753385 [0,1,0,1,0,0|2,0,0]=4 19756 B12R1.145 CC(C)C(=O)CN1CCC[C@H]1C 34a_100015189458_100000753385 [0,1,0,1,0,0|2,0,0]=4 19757 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 2230a_100015189458_100000185267 [0,1,0,1,0,0|2,0,0]=4 19758 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 269982a_100015189458_100000185267 [0,1,0,1,0,0|2,0,0]=4 19759 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 34a_100015189458_100000692301 [0,1,0,1,0,0|2,0,0]=4 19760 B12R1.145 C[C@H]1CCCN1CC(=O)N(C)C 2230a_100020605311_100000185267 [0,1,0,1,0,0|2,0,0]=4 19761 B12R1.145 C[C@H]1CCCN1CC(=O)N(C)C 269982a_100020605311_100000185267 [0,1,0,1,0,0|2,0,0]=4 19762 B12R1.214 CC(=O)C(=O)COCC1CC1C 34a_100000744939_100011261029 [0,1,0,1,0,0|2,0,0]=4 19763 B12R1.214 CC(C)C(=O)COCC1CC1C 34a_100000744939_100000753385 [0,1,0,1,0,0|2,0,0]=4 19764 B12R1.214 CC(C)C(=O)COCC1CC1C 7a_100000744939_100000753385 [0,1,0,1,0,0|2,0,0]=4 19765 B12R1.214 CC1CC1COCC(=O)N(C)C 34a_100000744939_100000692301 [0,1,0,1,0,0|2,0,0]=4 19766 B12R1.214 CC1CC1COCC(=O)N(C)C 7a_100000744939_100000692301 [0,1,0,1,0,0|2,0,0]=4 19767 B12R1.231 CC1CCN1CCC(=O)N(C)C 269982a_100000755817_100000737620 [0,1,0,1,0,0|2,0,0]=4 19768 B12R1.264 C=C(C)C(=O)CCC1CCCC1 1458a_100000185857_100000760354 [0,1,0,1,0,0|1,0,0]=3 19769 B12R1.264 C=C(C)C(=O)CCN1CCCC1 1458a_100000185857_100000004467 [0,1,0,1,0,0|2,0,0]=4 19770 B12R1.264 C=C(C)C(=O)NCC1CCCC1 11a_100000737975_100000185857 [0,1,0,1,0,0|2,0,0]=4 19771 B12R1.264 C=C(C)C(=O)NCC1CCCC1 1626a_100000737975_100000185857 [0,1,0,1,0,0|2,0,0]=4 19772 B12R1.264 CC(=O)C(=O)CNC1CCCC1 34a_100000211070_100011261029 [0,1,0,1,0,0|2,0,0]=4 19773 B12R1.264 CC(=O)C(=O)COC1CCCC1 34a_100000210269_100011261029 [0,1,0,1,0,0|2,0,0]=4 19774 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011217020_100011261029 [0,1,0,1,0,0|2,0,0]=4 19775 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011261029_100000179811 [0,1,0,1,0,0|2,0,0]=4 19776 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000210198_100000760354 [0,1,0,1,0,0|1,0,0]=3 19777 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000211120_100000210206 [0,1,0,1,0,0|1,0,0]=3 19778 B12R1.264 CC(C)C(=O)CCC1CCCO1 1458a_100011247709_100000210206 [0,1,0,1,0,0|2,0,0]=4 19779 B12R1.264 CC(C)C(=O)CCN1CCCC1 1458a_100000210198_100000004467 [0,1,0,1,0,0|2,0,0]=4 19780 B12R1.264 CC(C)C(=O)CCN1CCCC1 1458a_100000738983_100000210206 [0,1,0,1,0,0|2,0,0]=4 19781 B12R1.264 CC(C)C(=O)CNC1CCCC1 2230a_100000211070_100000753385 [0,1,0,1,0,0|2,0,0]=4 19782 B12R1.264 CC(C)C(=O)CNC1CCCC1 34a_100000211070_100000753385 [0,1,0,1,0,0|2,0,0]=4 19783 B12R1.264 CC(C)C(=O)COC1CCCC1 1458a_100000741352_100000210206 [0,1,0,1,0,0|2,0,0]=4 19784 B12R1.264 CC(C)C(=O)COC1CCCC1 34a_100000210269_100000753385 [0,1,0,1,0,0|2,0,0]=4 19785 B12R1.264 CC(C)C(=O)COC1CCCC1 7a_100000210269_100000753385 [0,1,0,1,0,0|2,0,0]=4 19786 B12R1.264 CC(C)C(=O)CSC1CCCC1 62a_100000753385_100000179811 [0,1,0,1,0,0|2,0,0]=4 19787 B12R1.264 CC(C)C(=O)CSC1CCCC1 62a_100011217020_100000753385 [0,1,0,1,0,0|2,0,0]=4 19788 B12R1.264 CC(C)C(=O)NCC1CCCC1 11a_100000737975_100000210198 [0,1,0,1,0,0|2,0,0]=4 19789 B12R1.264 CC(C)C(=O)NCC1CCCC1 1626a_100000737975_100000210198 [0,1,0,1,0,0|2,0,0]=4 19790 B12R1.264 CC(C)C(=O)NCC1CCCC1 240690a_100000737975_100000210198 [0,1,0,1,0,0|2,0,0]=4 19791 B12R1.264 CC(C)C(=O)NCC1CCCC1 527a_100000737975_100000210198 [0,1,0,1,0,0|2,0,0]=4 19792 B12R1.264 CC(F)C(=O)CCC1CCCC1 1458a_100000062450_100000760354 [0,1,0,1,0,0|1,0,0]=3 19793 B12R1.264 CC(F)C(=O)CCN1CCCC1 1458a_100000062450_100000004467 [0,1,0,1,0,0|2,0,0]=4 19794 B12R1.264 CC(F)C(=O)NCC1CCCC1 11a_100000737975_100000062450 [0,1,0,1,0,0|2,0,0]=4 19795 B12R1.264 CC(F)C(=O)NCC1CCCC1 1626a_100000737975_100000062450 [0,1,0,1,0,0|2,0,0]=4 19796 B12R1.264 CC(F)C(=O)NCC1CCCC1 240690a_100000737975_100000062450 [0,1,0,1,0,0|2,0,0]=4 19797 B12R1.264 CC(F)C(=O)NCC1CCCC1 527a_100000737975_100000062450 [0,1,0,1,0,0|2,0,0]=4 19798 B12R1.264 CN(C)C(=O)CCC1CCCC1 11a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 19799 B12R1.264 CN(C)C(=O)CCC1CCCC1 1626a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 19800 B12R1.264 CN(C)C(=O)CCC1CCCC1 240690a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 19801 B12R1.264 CN(C)C(=O)CCC1CCCC1 527a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 19802 B12R1.264 CN(C)C(=O)CCC1CCCO1 11a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 19803 B12R1.264 CN(C)C(=O)CCC1CCCO1 1626a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 19804 B12R1.264 CN(C)C(=O)CCC1CCCO1 240690a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 19805 B12R1.264 CN(C)C(=O)CCC1CCCO1 527a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 19806 B12R1.264 CN(C)C(=O)CCN1CCCC1 2230a_100000188435_100000737620 [0,1,0,1,0,0|2,0,0]=4 19807 B12R1.264 CN(C)C(=O)CCN1CCCC1 240690a_100102631434_100000738983 [0,1,0,1,0,0|2,0,0]=4 19808 B12R1.264 CN(C)C(=O)CCN1CCCC1 269982a_100000188435_100000737620 [0,1,0,1,0,0|2,0,0]=4 19809 B12R1.264 CN(C)C(=O)CNC1CCCC1 2230a_100000211070_100000185267 [0,1,0,1,0,0|2,0,0]=4 19810 B12R1.264 CN(C)C(=O)CNC1CCCC1 2230a_100015183351_100000179811 [0,1,0,1,0,0|2,0,0]=4 19811 B12R1.264 CN(C)C(=O)CNC1CCCC1 270004a_100015183351_100000210133 [0,1,0,1,0,0|2,0,0]=4 19812 B12R1.264 CN(C)C(=O)CNC1CCCC1 34a_100000211070_100000692301 [0,1,0,1,0,0|2,0,0]=4 19813 B12R1.264 CN(C)C(=O)COC1CCCC1 11a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 19814 B12R1.264 CN(C)C(=O)COC1CCCC1 1626a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 19815 B12R1.264 CN(C)C(=O)COC1CCCC1 240690a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 19816 B12R1.264 CN(C)C(=O)COC1CCCC1 34a_100000210269_100000692301 [0,1,0,1,0,0|2,0,0]=4 19817 B12R1.264 CN(C)C(=O)COC1CCCC1 527a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 19818 B12R1.264 CN(C)C(=O)COC1CCCC1 7a_100000210269_100000692301 [0,1,0,1,0,0|2,0,0]=4 19819 B12R1.264 CN(C)C(=O)CSC1CCCC1 62a_100000692301_100000179811 [0,1,0,1,0,0|2,0,0]=4 19820 B12R1.264 CN(C)C(=O)CSC1CCCC1 62a_100011217020_100000692301 [0,1,0,1,0,0|2,0,0]=4 19821 B12R1.264 CN(C)C(=O)NCC1CCCC1 2708a_100000737975_100102631434 [0,1,0,1,0,0|2,0,0]=4 19822 B12R1.264 C[C@@H](O)C(=O)CCC1CCCC1 1458a_100000717761_100000760354 [0,1,0,1,0,0|1,0,0]=3 19823 B12R1.264 C[C@@H](O)C(=O)CCN1CCCC1 1458a_100000717761_100000004467 [0,1,0,1,0,0|2,0,0]=4 19824 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 240690a_100000737975_100000717761 [0,1,0,1,0,0|2,0,0]=4 19825 B12R1.264 C[C@H](O)C(=O)CCC1CCCC1 1458a_217856618621_100000760354 [0,1,0,1,0,0|1,0,0]=3 19826 B12R1.264 C[C@H](O)C(=O)CCN1CCCC1 1458a_217856618621_100000004467 [0,1,0,1,0,0|2,0,0]=4 19827 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 1626a_100000737975_217856618621 [0,1,0,1,0,0|2,0,0]=4 19828 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 240690a_100000737975_217856618621 [0,1,0,1,0,0|2,0,0]=4 19829 B12R1.264 O=C(CCC1CCCC1)C(O)O 1458a_100000233687_100000760354 [0,1,0,1,0,0|2,0,0]=4 19830 B12R1.385 CCCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210303 [0,1,0,1,0,0|2,0,0]=4 19831 B12R1.385 CCCNC1CCC(=O)N(C1)C 34a_100011935005_100000210303 [0,1,0,1,0,0|2,0,0]=4 19832 B12R1.457 CCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210211 [0,1,0,1,0,0|2,0,0]=4 19833 B12R1.457 CCCCNC1CC(=O)N(C1)C 34a_100000748898_100000210210 [0,1,0,1,0,0|2,0,0]=4 19834 B12R1.457 CCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210303 [0,1,0,1,0,0|2,0,0]=4 19835 B12R1.1396 CC(=O)C(=O)CNCC1CCC1 34a_100000738700_100011261029 [0,1,0,1,0,0|2,0,0]=4 19836 B12R1.1396 CC(=O)C(=O)COCC1CCC1 34a_100000760304_100011261029 [0,1,0,1,0,0|2,0,0]=4 19837 B12R1.1396 CC(=O)C(=O)CSCC1CCC1 62a_100000763275_100011261029 [0,1,0,1,0,0|2,0,0]=4 19838 B12R1.1396 CC(=O)C(=O)CSCC1CCC1 62a_100011261029_100000763275 [0,1,0,1,0,0|2,0,0]=4 19839 B12R1.1396 CC(C)C(=O)CNCC1CCC1 2230a_100000738700_100000753385 [0,1,0,1,0,0|2,0,0]=4 19840 B12R1.1396 CC(C)C(=O)CNCC1CCC1 34a_100000738700_100000753385 [0,1,0,1,0,0|2,0,0]=4 19841 B12R1.1396 CC(C)C(=O)COCC1CCC1 34a_100000760304_100000753385 [0,1,0,1,0,0|2,0,0]=4 19842 B12R1.1396 CC(C)C(=O)CSCC1CCC1 62a_100000753385_100000763275 [0,1,0,1,0,0|2,0,0]=4 19843 B12R1.1396 CC(C)C(=O)CSCC1CCC1 62a_100000763275_100000753385 [0,1,0,1,0,0|2,0,0]=4 19844 B12R1.1396 CN(C)C(=O)CCCN1CCC1 269982a_100000754969_100000737642 [0,1,0,1,0,0|2,0,0]=4 19845 B12R1.1396 CN(C)C(=O)CCNC1CCC1 2230a_100000749019_100000737620 [0,1,0,1,0,0|2,0,0]=4 19846 B12R1.1396 CN(C)C(=O)CCNC1CCC1 270004a_100000738053_100000241760 [0,1,0,1,0,0|2,0,0]=4 19847 B12R1.1396 CN(C)C(=O)CCOC1CCC1 34a_200000747469_100000749161 [0,1,0,1,0,0|2,0,0]=4 19848 B12R1.1396 CN(C)C(=O)CCSC1CCC1 62a_100000737620_100000749161 [0,1,0,1,0,0|2,0,0]=4 19849 B12R1.1396 CN(C)C(=O)CNCC1CCC1 2230a_100000738700_100000185267 [0,1,0,1,0,0|2,0,0]=4 19850 B12R1.1396 CN(C)C(=O)CNCC1CCC1 2230a_100015183351_100000763275 [0,1,0,1,0,0|2,0,0]=4 19851 B12R1.1396 CN(C)C(=O)CNCC1CCC1 34a_100000738700_100000692301 [0,1,0,1,0,0|2,0,0]=4 19852 B12R1.1396 CN(C)C(=O)COCC1CCC1 34a_100000760304_100000692301 [0,1,0,1,0,0|2,0,0]=4 19853 B12R1.1396 CN(C)C(=O)CSCC1CCC1 62a_100000692301_100000763275 [0,1,0,1,0,0|2,0,0]=4 19854 B12R1.1396 CN(C)C(=O)CSCC1CCC1 62a_100000763275_100000692301 [0,1,0,1,0,0|2,0,0]=4 19855 B12R1.1397 CC(=O)C(=O)CNCCC1CC1 34a_100000764129_100011261029 [0,1,0,1,0,0|2,0,0]=4 19856 B12R1.1397 CC(=O)C(=O)COCCC1CC1 34a_100000754188_100011261029 [0,1,0,1,0,0|2,0,0]=4 19857 B12R1.1397 CC(=O)C(=O)CSCCC1CC1 62a_100000764125_100011261029 [0,1,0,1,0,0|2,0,0]=4 19858 B12R1.1397 CC(=O)C(=O)CSCCC1CC1 62a_100011261029_100000764125 [0,1,0,1,0,0|2,0,0]=4 19859 B12R1.1397 CC(C)C(=O)CNCCC1CC1 34a_100000764129_100000753385 [0,1,0,1,0,0|2,0,0]=4 19860 B12R1.1397 CC(C)C(=O)COCCC1CC1 34a_100000754188_100000753385 [0,1,0,1,0,0|2,0,0]=4 19861 B12R1.1397 CC(C)C(=O)COCCC1CC1 7a_100000754188_100000753385 [0,1,0,1,0,0|2,0,0]=4 19862 B12R1.1397 CC(C)C(=O)CSCCC1CC1 62a_100000753385_100000764125 [0,1,0,1,0,0|2,0,0]=4 19863 B12R1.1397 CC(C)C(=O)CSCCC1CC1 62a_100000764125_100000753385 [0,1,0,1,0,0|2,0,0]=4 19864 B12R1.1397 CN(C)C(=O)CCCSC1CC1 62a_100000737642_100000211595 [0,1,0,1,0,0|2,0,0]=4 19865 B12R1.1397 CN(C)C(=O)CCNCC1CC1 2230a_100000735609_100000737620 [0,1,0,1,0,0|2,0,0]=4 19866 B12R1.1397 CN(C)C(=O)CCNCC1CC1 2230a_100000738053_100000742324 [0,1,0,1,0,0|2,0,0]=4 19867 B12R1.1397 CN(C)C(=O)CCNCC1CC1 269862a_100000738053_100000741477 [0,1,0,1,0,0|2,0,0]=4 19868 B12R1.1397 CN(C)C(=O)CCOCC1CC1 34a_200000747469_100000742324 [0,1,0,1,0,0|2,0,0]=4 19869 B12R1.1397 CN(C)C(=O)CCSCC1CC1 62a_100000737620_100000742324 [0,1,0,1,0,0|2,0,0]=4 19870 B12R1.1397 CN(C)C(=O)CCSCC1CC1 62a_100000756562_100000737620 [0,1,0,1,0,0|2,0,0]=4 19871 B12R1.1397 CN(C)C(=O)CNCCC1CC1 2230a_100015183351_100000694398 [0,1,0,1,0,0|2,0,0]=4 19872 B12R1.1397 CN(C)C(=O)CNCCC1CC1 34a_100000764129_100000692301 [0,1,0,1,0,0|2,0,0]=4 19873 B12R1.1397 CN(C)C(=O)COCCC1CC1 34a_100000754188_100000692301 [0,1,0,1,0,0|2,0,0]=4 19874 B12R1.1397 CN(C)C(=O)COCCC1CC1 7a_100000754188_100000692301 [0,1,0,1,0,0|2,0,0]=4 19875 B12R1.1397 CN(C)C(=O)CSCCC1CC1 62a_100000692301_100000764125 [0,1,0,1,0,0|2,0,0]=4 19876 B12R1.1397 CN(C)C(=O)CSCCC1CC1 62a_100000764125_100000692301 [0,1,0,1,0,0|2,0,0]=4 19877 B12R1.2197 C=C(C)C(=O)C1CCCCCC1 1458a_100000185857_100011217769 [0,1,0,1,0,0|1,0,0]=3 19878 B12R1.2197 C=C(C)C(=O)N1CCCCCC1 11a_100000185865_100000185857 [0,1,0,1,0,0|2,0,0]=4 19879 B12R1.2197 C=C(C)C(=O)N1CCCCCC1 1626a_100000185865_100000185857 [0,1,0,1,0,0|2,0,0]=4 19880 B12R1.2197 CC(C)C(=O)C1CCCCCC1 1458a_100000210198_100011217769 [0,1,0,1,0,0|1,0,0]=3 19881 B12R1.2197 CC(C)C(=O)C1CCCCCC1 1458a_100000749507_100000210206 [0,1,0,1,0,0|1,0,0]=3 19882 B12R1.2197 CC(C)C(=O)N1CCCCCC1 11a_100000185865_100000210198 [0,1,0,1,0,0|2,0,0]=4 19883 B12R1.2197 CC(C)C(=O)N1CCCCCC1 1626a_100000185865_100000210198 [0,1,0,1,0,0|2,0,0]=4 19884 B12R1.2197 CC(C)C(=O)N1CCCCCC1 240690a_100000185865_100000210198 [0,1,0,1,0,0|2,0,0]=4 19885 B12R1.2197 CC(C)C(=O)N1CCCCCC1 527a_100000185865_100000210198 [0,1,0,1,0,0|2,0,0]=4 19886 B12R1.2197 CC(F)C(=O)C1CCCCCC1 1458a_100000062450_100011217769 [0,1,0,1,0,0|1,0,0]=3 19887 B12R1.2197 CC(F)C(=O)N1CCCCCC1 11a_100000185865_100000062450 [0,1,0,1,0,0|2,0,0]=4 19888 B12R1.2197 CC(F)C(=O)N1CCCCCC1 1626a_100000185865_100000062450 [0,1,0,1,0,0|2,0,0]=4 19889 B12R1.2197 CC(F)C(=O)N1CCCCCC1 240690a_100000185865_100000062450 [0,1,0,1,0,0|2,0,0]=4 19890 B12R1.2197 CC(F)C(=O)N1CCCCCC1 527a_100000185865_100000062450 [0,1,0,1,0,0|2,0,0]=4 19891 B12R1.2197 CN(C)C(=O)C1CCCCCC1 11a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 19892 B12R1.2197 CN(C)C(=O)C1CCCCCC1 1626a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 19893 B12R1.2197 CN(C)C(=O)C1CCCCCC1 240690a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 19894 B12R1.2197 CN(C)C(=O)C1CCCCCC1 527a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 19895 B12R1.2197 C[C@@H](O)C(=O)C1CCCCCC1 1458a_100000717761_100011217769 [0,1,0,1,0,0|1,0,0]=3 19896 B12R1.2197 C[C@@H](O)C(=O)N1CCCCCC1 240690a_100000185865_100000717761 [0,1,0,1,0,0|2,0,0]=4 19897 B12R1.2197 C[C@H](O)C(=O)C1CCCCCC1 1458a_217856618621_100011217769 [0,1,0,1,0,0|1,0,0]=3 19898 B12R1.2197 C[C@H](O)C(=O)N1CCCCCC1 1626a_100000185865_217856618621 [0,1,0,1,0,0|2,0,0]=4 19899 B12R1.2197 C[C@H](O)C(=O)N1CCCCCC1 240690a_100000185865_217856618621 [0,1,0,1,0,0|2,0,0]=4 19900 B12R1.2197 O=C(C(O)O)C1CCCCCC1 1458a_100000233687_100011217769 [0,1,0,1,0,0|2,0,0]=4 19901 B12R1.26 CCC(C)CNC1CNC(=O)C1 2230a_100000697751_100000748023 [0,1,0,1,0,0|2,0,0]=4 19902 B12R1.26 CCC(C)COC1CCC(=O)C1 34a_100012614533_100000748023 [0,1,0,1,0,0|2,0,0]=4 19903 B12R1.26 CCC(C)COC1CNC(=O)C1 34a_100000690082_100000748023 [0,1,0,1,0,0|2,0,0]=4 19904 B12R1.26 CCC(C)CSC1COC(=O)O1 62a_100000748023_100000032252 [0,1,0,1,0,0|2,0,0]=4 19905 B12R1.26 CCC(C)NCC1CNC(=O)C1 2230a_100016993742_100000758301 [0,1,0,1,0,0|2,0,0]=4 19906 B12R1.26 CCC(C)NCC1CNC(=O)C1 34a_100016993742_100011215416 [0,1,0,1,0,0|2,0,0]=4 19907 B12R1.26 CCC(C)NC[C@H]1COC(=O)N1 2230a_100000209981_100015307671 [0,1,0,1,0,0|2,0,0]=4 19908 B12R1.26 CCC(C)OCC1CNC(=O)C1 34a_100016041077_100011215416 [0,1,0,1,0,0|2,0,0]=4 19909 B12R1.26 CCC(C)OC[C@H]1COC(=O)N1 7a_100000210228_100015307671 [0,1,0,1,0,0|2,0,0]=4 19910 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000073702_100000758301 [0,1,0,1,0,0|2,0,0]=4 19911 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000758301_100000073702 [0,1,0,1,0,0|2,0,0]=4 19912 B12R1.26 CCC(C)SC[C@H]1COC(=O)N1 62a_100000758301_100015307671 [0,1,0,1,0,0|2,0,0]=4 19913 B12R1.26 CCC(C)SC[C@H]1COC(=O)N1 62a_100015307671_100000758301 [0,1,0,1,0,0|2,0,0]=4 19914 B12R1.26 CCC(O)CNC1CNC(=O)C1 2230a_100000697751_100011218378 [0,1,0,1,0,0|2,0,0]=4 19915 B12R1.26 CCC(O)COC1CCC(=O)C1 34a_100012614533_100011218378 [0,1,0,1,0,0|2,0,0]=4 19916 B12R1.26 CCC(O)COC1CNC(=O)C1 34a_100000690082_100011218378 [0,1,0,1,0,0|2,0,0]=4 19917 B12R1.26 CCC(O)CSC1COC(=O)O1 62a_100011218378_100000032252 [0,1,0,1,0,0|2,0,0]=4 19918 B12R1.26 CC[C@H](C)CNC1CNC(=O)C1 2230a_100000697751_100009816398 [0,1,0,1,0,0|2,0,0]=4 19919 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 34a_100012614533_100009816398 [0,1,0,1,0,0|2,0,0]=4 19920 B12R1.26 CC[C@H](C)COC1CNC(=O)C1 34a_100000690082_100009816398 [0,1,0,1,0,0|2,0,0]=4 19921 B12R1.26 CC[C@H](C)CSC1COC(=O)O1 62a_100009816398_100000032252 [0,1,0,1,0,0|2,0,0]=4 19922 B12R1.26 CNC(=O)CCN1CCC(C1)O 2230a_100011215560_100000737683 [0,1,0,1,0,0|2,0,0]=4 19923 B12R1.26 CNC(=O)CCN1CCC(C1)O 269982a_100011215560_100000737683 [0,1,0,1,0,0|2,0,0]=4 19924 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100000737683 [0,1,0,1,0,0|2,0,0]=4 19925 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000737683 [0,1,0,1,0,0|2,0,0]=4 19926 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 34a_100015203821_100012179268 [0,1,0,1,0,0|2,0,0]=4 19927 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 2230a_100016987628_100000737683 [0,1,0,1,0,0|2,0,0]=4 19928 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000737683 [0,1,0,1,0,0|2,0,0]=4 19929 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 34a_100016987628_100012179268 [0,1,0,1,0,0|2,0,0]=4 19930 B12R1.26 CNC(=O)CNC1CCC(C1)C 270004a_100000693194_100011215218 [0,1,0,1,0,0|2,0,0]=4 19931 B12R1.26 CNC(=O)CNC1CCC(C1)O 270004a_100000693194_100012614533 [0,1,0,1,0,0|2,0,0]=4 19932 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 19933 B12R1.26 CNC(=O)COC1CCC(C1)C 34a_100000698185_100000183359 [0,1,0,1,0,0|2,0,0]=4 19934 B12R1.26 COC(=O)CCN1CCC(C1)O 2230a_100011215560_100000204255 [0,1,0,1,0,0|1,0,0]=3 19935 B12R1.26 COC(=O)CCN1CCC(C1)O 269982a_100011215560_100000204255 [0,1,0,1,0,0|1,0,0]=3 19936 B12R1.26 COC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100000204255 [0,1,0,1,0,0|1,0,0]=3 19937 B12R1.26 COC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000204255 [0,1,0,1,0,0|1,0,0]=3 19938 B12R1.26 COC(=O)CCN1CC[C@@H](C1)F 34a_100015203821_100000742370 [0,1,0,1,0,0|1,0,0]=3 19939 B12R1.26 COC(=O)CCN1CC[C@H](C1)C 2230a_100016987628_100000204255 [0,1,0,1,0,0|1,0,0]=3 19940 B12R1.26 COC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000204255 [0,1,0,1,0,0|1,0,0]=3 19941 B12R1.26 COC(=O)CCN1CC[C@H](C1)C 34a_100016987628_100000742370 [0,1,0,1,0,0|1,0,0]=3 19942 B12R1.26 COC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000747449 [0,1,0,1,0,0|1,0,0]=3 19943 B12R1.26 COC(=O)COC1CCC(=O)C1 34a_100012614533_100000747449 [0,1,0,1,0,0|1,0,1]=4 19944 B12R1.26 COC(=O)COC1CCC(C1)C 34a_100000698185_100000747449 [0,1,0,1,0,0|1,0,0]=3 19945 B12R1.26 COC(=O)CO[C@@H]1CCN(C1)C 2230a_100102564761_200000210301 [0,1,0,1,0,0|2,0,0]=4 19946 B12R1.26 COC(=O)CO[C@@H]1CCN(C1)C 269982a_100102564761_200000210301 [0,1,0,1,0,0|2,0,0]=4 19947 B12R1.26 COC(=O)CO[C@@H]1CCN(C1)[13CH3] 2230a_100102564761_200025704644 [0,1,0,1,0,0|2,0,0]=4 19948 B12R1.26 COC(=O)CO[C@@H]1CCN(C1)[13CH3] 269982a_100102564761_200025704644 [0,1,0,1,0,0|2,0,0]=4 19949 B12R1.26 COC(=O)CSC1CCN(C1)C 62a_100000747449_200012183744 [0,1,0,1,0,0|2,0,0]=4 19950 B12R1.29 CCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210211 [0,1,0,1,0,0|1,0,1]=4 19951 B12R1.29 CCCCC(C)N1CNC(=O)C1 2230a_200000708111_200011215066 [0,1,0,1,0,0|2,0,0]=4 19952 B12R1.71 CCCCC1CCC(CC1)OC 34a_200000035503_200000210301 [0,1,0,1,0,0|1,0,1]=4 19953 B12R1.71 CCCCC1CCC(CC1)OC 7a_200000035503_200000210301 [0,1,0,1,0,0|1,0,1]=4 19954 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 34a_200000035503_200025704644 [0,1,0,1,0,0|1,0,1]=4 19955 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 7a_200000035503_200025704644 [0,1,0,1,0,0|1,0,1]=4 19956 B12R1.334 CCCCN1CC(C1)C(=O)NC 34a_100000703363_100000210210 [0,1,0,1,0,0|2,0,0]=4 19957 B12R1.334 CCCCN1CC(C1)C(=O)OC 269982a_100015188540_100000210211 [0,1,0,1,0,0|1,0,0]=3 19958 B12R1.334 CCCOC1CC(C1)C(=O)OC 34a_100000210258_100009897219 [0,1,0,1,0,0|1,0,0]=3 19959 B12R1.334 CCCOC1CC(C1)C(=O)OC 7a_100000076263_100000210303 [0,1,0,1,0,0|1,0,0]=3 19960 B12R1.334 CCCSC1CC(C1)C(=O)OC 62a_100000210303_100009897219 [0,1,0,1,0,0|1,0,0]=3 19961 B12R1.334 CCCSC1CC(C1)C(=O)OC 62a_100009897219_100000210303 [0,1,0,1,0,0|1,0,0]=3 19962 B12R1.334 CCOCC1CC(C1)C(=O)OC 34a_100009884387_100000210202 [0,1,0,1,0,0|1,0,0]=3 19963 B12R1.334 CCOCC1CC(C1)C(=O)OC 7a_100009884387_100000210202 [0,1,0,1,0,0|1,0,0]=3 19964 B12R1.334 CCOCN1CC(C1)C(=O)OC 269982a_100015188540_100000739092 [0,1,0,1,0,0|2,0,0]=4 19965 B12R1.334 COC(=O)C1CC(C1)COCF 34a_100009884387_100015361967 [0,1,0,1,0,0|2,0,0]=4 19966 B12R1.334 COC(=O)C1CC(C1)COCF 7a_100009884387_100015361967 [0,1,0,1,0,0|2,0,0]=4 19967 B12R1.334 COC(=O)C1CC(C1)NCCF 34a_100000724931_100009897219 [0,1,0,1,0,0|2,0,0]=4 19968 B12R1.334 COC(=O)C1CC(C1)NCCO 34a_100016990907_100009897219 [0,1,0,1,0,0|2,0,0]=4 19969 B12R1.334 COC(=O)C1CC(C1)OCCBr 34a_100000211926_100009897219 [0,1,0,1,0,0|2,0,0]=4 19970 B12R1.334 COC(=O)C1CC(C1)OCCF 7a_100000076263_100011217306 [0,1,0,1,0,0|2,0,0]=4 19971 B12R1.334 COC(=O)C1CC(C1)OCCN 34a_100000210304_100009897219 [0,1,0,1,0,0|2,0,0]=4 19972 B12R1.334 COC(=O)C1CC(C1)OCCO 7a_100000076263_100000211926 [0,1,0,1,0,0|2,0,0]=4 19973 B12R1.334 COC(=O)C1CC(C1)SCCF 62a_100009897219_100011217306 [0,1,0,1,0,0|2,0,0]=4 19974 B12R1.334 COC(=O)C1CC(C1)SCCF 62a_100011217306_100009897219 [0,1,0,1,0,0|2,0,0]=4 19975 B12R1.334 COC(=O)C1CC(C1)SCCO 62a_100000211926_100009897219 [0,1,0,1,0,0|2,0,0]=4 19976 B12R1.334 COC(=O)C1CC(C1)SCCO 62a_100009897219_100000211926 [0,1,0,1,0,0|2,0,0]=4 19977 B12R1.334 COC(=O)C1CC(C1)SCSC 62a_100009897219_100011218213 [0,1,0,1,0,0|2,0,0]=4 19978 B12R1.334 COC(=O)C1CC(C1)SCSC 62a_100011218213_100009897219 [0,1,0,1,0,0|2,0,0]=4 19979 B12R1.334 COC(=O)C1CN(C1)CCCF 269982a_100015188540_100011934791 [0,1,0,1,0,0|2,0,0]=4 19980 B12R1.334 COC(=O)C1CN(C1)CCCO 269982a_100015188540_100011215043 [0,1,0,1,0,0|2,0,0]=4 19981 B12R1.334 COC(=O)C1CN(C1)CCSC 269982a_100015188540_100000212216 [0,1,0,1,0,0|2,0,0]=4 19982 B12R1.334 COCCN1CC(C1)C(=O)OC 269982a_100015188540_100000233755 [0,1,0,1,0,0|2,0,0]=4 19983 B12R1.334 COCSC1CC(C1)C(=O)OC 62a_100000766300_100009897219 [0,1,0,1,0,0|2,0,0]=4 19984 B12R1.334 COCSC1CC(C1)C(=O)OC 62a_100009897219_100000766300 [0,1,0,1,0,0|2,0,0]=4 19985 B12R1.354 COC(=O)C1CC(CCN1C)O 2230a_100020629045_200000210301 [0,1,0,1,0,0|1,0,0]=3 19986 B12R1.354 COC(=O)C1CC(CCN1C)O 269982a_100020629045_200000210301 [0,1,0,1,0,0|1,0,0]=3 19987 B12R1.354 COC(=O)C1CC(CCN1[13CH3])O 2230a_100020629045_200025704644 [0,1,0,1,0,0|1,0,0]=3 19988 B12R1.354 COC(=O)C1CC(CCN1[13CH3])O 269982a_100020629045_200025704644 [0,1,0,1,0,0|1,0,0]=3 19989 B12R1.354 COC(=O)C1CN(CCC1O)C 2230a_200103168510_200000210301 [0,1,0,1,0,0|2,0,0]=4 19990 B12R1.354 COC(=O)C1CN(CCC1O)C 269982a_200103168510_200000210301 [0,1,0,1,0,0|2,0,0]=4 19991 B12R1.354 COC(=O)C1CN(CCC1O)[13CH3] 2230a_200103168510_200025704644 [0,1,0,1,0,0|2,0,0]=4 19992 B12R1.354 COC(=O)C1CN(CCC1O)[13CH3] 269982a_200103168510_200025704644 [0,1,0,1,0,0|2,0,0]=4 19993 B12R1.431 CCC1CN(C1)CCC(=O)NC 2230a_100015205115_100000737683 [0,1,0,1,0,0|2,0,0]=4 19994 B12R1.431 CCC1CN(C1)CCC(=O)NC 269982a_100015205115_100000737683 [0,1,0,1,0,0|2,0,0]=4 19995 B12R1.431 CCC1CN(C1)CCC(=O)OC 2230a_100015205115_100000204255 [0,1,0,1,0,0|1,0,0]=3 19996 B12R1.431 CCC1CN(C1)CCC(=O)OC 269982a_100015205115_100000204255 [0,1,0,1,0,0|1,0,0]=3 19997 B12R1.431 CCN1CC(C1)NCC(=O)OC 2230a_200015199589_100000747449 [0,1,0,1,0,0|2,0,0]=4 19998 B12R1.431 COC(=O)CCN1CC(C1)CF 269982a_100010363649_100000204255 [0,1,0,1,0,0|2,0,0]=4 19999 B12R1.431 COC(=O)CCN1CC(C1)CF 34a_100010363649_100000742370 [0,1,0,1,0,0|2,0,0]=4 20000 B12R1.431 COC(=O)CCN1CC(C1)CO 269982a_100016987283_100000204255 [0,1,0,1,0,0|2,0,0]=4 20001 B12R1.431 COC(=O)CCN1CC(C1)CO 34a_100016987283_100000742370 [0,1,0,1,0,0|2,0,0]=4 20002 B12R1.431 COC(=O)CCN1CC(C1)OC 269982a_100000755009_100000204255 [0,1,0,1,0,0|2,0,0]=4 20003 B12R1.431 COC(=O)CCN1CC(C1)SC 269982a_100016990038_100000204255 [0,1,0,1,0,0|2,0,0]=4 20004 B12R1.431 COC(=O)CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000747449 [0,1,0,1,0,0|2,0,0]=4 20005 B12R1.431 COC(=O)CSC1CC(C1)CO 62a_100000747449_100009874164 [0,1,0,1,0,0|2,0,0]=4 20006 B12R1.431 COC(=O)CSC1CC(C1)CO 62a_100009874164_100000747449 [0,1,0,1,0,0|2,0,0]=4 20007 B12R1.908 CCC(=O)COC(C)C1CCC1 7a_100000766398_100000747405 [0,1,0,1,0,0|2,0,0]=4 20008 B12R1.908 CNC(=O)CCC(=O)C1CCC1 1458a_100011309844_100000749161 [0,1,0,1,0,0|1,0,1]=4 20009 B12R1.908 CNC(=O)CCN(C)C1CCC1 2230a_100000758072_100000737683 [0,1,0,1,0,0|2,0,0]=4 20010 B12R1.908 CNC(=O)CCN(C)C1CCC1 269982a_100000750875_100000749161 [0,1,0,1,0,0|2,0,0]=4 20011 B12R1.908 CNC(=O)CCN(C)C1CCC1 269982a_100000758072_100000737683 [0,1,0,1,0,0|2,0,0]=4 20012 B12R1.908 CNC(=O)CCN(C)C1CCC1 270004a_100000750875_100000241760 [0,1,0,1,0,0|2,0,0]=4 20013 B12R1.908 CNC(=O)CCN(C)C1CCC1 34a_100000758072_100012179268 [0,1,0,1,0,0|2,0,0]=4 20014 B12R1.908 CNC(=O)CNC(C)C1CCC1 2230a_100016994624_100000183359 [0,1,0,1,0,0|2,0,0]=4 20015 B12R1.908 CNC(=O)CNC(C)C1CCC1 269862a_100000693194_100000760154 [0,1,0,1,0,0|2,0,0]=4 20016 B12R1.908 CNC(=O)CNC(C)C1CCC1 34a_100016994624_100000183359 [0,1,0,1,0,0|2,0,0]=4 20017 B12R1.908 CNC(=O)COC(C)C1CCC1 34a_100000766398_100000183359 [0,1,0,1,0,0|2,0,0]=4 20018 B12R1.908 CNC(=O)COC(C)C1CCC1 7a_100000766398_100000183359 [0,1,0,1,0,0|2,0,0]=4 20019 B12R1.908 COC(=O)CCC(=O)C1CCC1 1458a_100000187943_100000749161 [0,1,0,1,0,0|0,0,1]=3 20020 B12R1.908 COC(=O)CCC(=O)C1COC1 1458a_100000187943_100000687716 [0,1,0,1,0,0|1,0,1]=4 20021 B12R1.908 COC(=O)CCC(=O)N1CCC1 11a_100000754969_100000187943 [0,1,0,1,0,0|1,0,1]=4 20022 B12R1.908 COC(=O)CCC(=O)N1CCC1 240690a_100000754969_100000187943 [0,1,0,1,0,0|1,0,1]=4 20023 B12R1.908 COC(=O)CCC(=O)N1CCC1 527a_100000754969_100000187943 [0,1,0,1,0,0|1,0,1]=4 20024 B12R1.908 COC(=O)CCN(C)C1CCC1 2230a_100000758072_100000204255 [0,1,0,1,0,0|1,0,0]=3 20025 B12R1.908 COC(=O)CCN(C)C1CCC1 269982a_100000758072_100000204255 [0,1,0,1,0,0|1,0,0]=3 20026 B12R1.908 COC(=O)CCN(C)C1CCC1 269982a_100025711912_100000749161 [0,1,0,1,0,0|1,0,0]=3 20027 B12R1.908 COC(=O)CCN(C)C1CCC1 34a_100000758072_100000742370 [0,1,0,1,0,0|1,0,0]=3 20028 B12R1.908 COC(=O)CCN(C)C1COC1 2230a_100102693430_100000204255 [0,1,0,1,0,0|2,0,0]=4 20029 B12R1.908 COC(=O)CCN(C)C1COC1 269982a_100025711912_100000687716 [0,1,0,1,0,0|2,0,0]=4 20030 B12R1.908 COC(=O)CCN(C)C1COC1 269982a_100102693430_100000204255 [0,1,0,1,0,0|2,0,0]=4 20031 B12R1.908 COC(=O)CNC(=O)C1CCC1 188690a_100000185156_100000209988 [0,1,0,1,0,0|1,0,1]=4 20032 B12R1.908 COC(=O)CNC(C)C1CCC1 2230a_100016994624_100000747449 [0,1,0,1,0,0|1,0,0]=3 20033 B12R1.908 COC(=O)CNC(C)C1CCC1 34a_100016994624_100000747449 [0,1,0,1,0,0|1,0,0]=3 20034 B12R1.908 COC(=O)COC(C)C1CCC1 34a_100000766398_100000747449 [0,1,0,1,0,0|1,0,0]=3 20035 B12R1.908 COC(=O)COC(C)C1CCC1 7a_100000766398_100000747449 [0,1,0,1,0,0|1,0,0]=3 20036 B12R1.908 COC(=O)NCC(=O)C1CCC1 1458a_100000215747_100000749161 [0,1,0,1,0,0|1,0,1]=4 20037 B12R1.910 CNC(=O)CCC(=O)CC1CC1 1458a_100011309844_100000742324 [0,1,0,1,0,0|1,0,1]=4 20038 B12R1.910 CNC(=O)CCN(C)CC1CC1 2230a_100000741881_100000737683 [0,1,0,1,0,0|2,0,0]=4 20039 B12R1.910 CNC(=O)CCN(C)CC1CC1 2230a_100000750875_100000742324 [0,1,0,1,0,0|2,0,0]=4 20040 B12R1.910 CNC(=O)CCN(C)CC1CC1 269982a_100000741881_100000737683 [0,1,0,1,0,0|2,0,0]=4 20041 B12R1.910 CNC(=O)CCN(C)CC1CC1 269982a_100000750875_100000756562 [0,1,0,1,0,0|2,0,0]=4 20042 B12R1.910 CNC(=O)CNC(C)CC1CC1 270004a_100000693194_200000686933 [0,1,0,1,0,0|2,0,0]=4 20043 B12R1.910 COC(=O)CCC(=O)CC1CC1 1458a_100000187943_100000742324 [0,1,0,1,0,0|0,0,1]=3 20044 B12R1.910 COC(=O)CCC(=O)CC1CO1 1458a_100000187943_100011216344 [0,1,0,1,0,0|1,0,1]=4 20045 B12R1.910 COC(=O)CCC(=O)CC1CS1 1458a_100000187943_100000031435 [0,1,0,1,0,0|1,0,1]=4 20046 B12R1.910 COC(=O)CCC(=O)C[C@@H]1CO1 1458a_100000187943_100000745022 [0,1,0,1,0,0|1,0,1]=4 20047 B12R1.910 COC(=O)CCC(=O)NC1CC1 1626a_100000212008_100000187943 [0,1,0,1,0,0|1,0,1]=4 20048 B12R1.910 COC(=O)CCC(=O)NC1CC1 240690a_100000212008_100000187943 [0,1,0,1,0,0|1,0,1]=4 20049 B12R1.910 COC(=O)CCC(=O)NC1CC1 527a_100000212008_100000187943 [0,1,0,1,0,0|1,0,1]=4 20050 B12R1.910 COC(=O)CCN(C)CC1CC1 2230a_100000741881_100000204255 [0,1,0,1,0,0|1,0,0]=3 20051 B12R1.910 COC(=O)CCN(C)CC1CC1 269982a_100000741881_100000204255 [0,1,0,1,0,0|1,0,0]=3 20052 B12R1.910 COC(=O)CCN(C)CC1CC1 269982a_100025711912_100000756562 [0,1,0,1,0,0|1,0,0]=3 20053 B12R1.910 COC(=O)CCN(C)CC1CO1 269982a_100025711912_102125554688 [0,1,0,1,0,0|2,0,0]=4 20054 B12R1.910 COC(=O)CCN(C)CC1CS1 269982a_100025711912_100000031435 [0,1,0,1,0,0|2,0,0]=4 20055 B12R1.910 COC(=O)CCN(C)C[C@@H]1CO1 269982a_100025711912_100000745022 [0,1,0,1,0,0|2,0,0]=4 20056 B12R1.910 COC(=O)CNC(=O)CC1CC1 188690a_100000185156_100000738066 [0,1,0,1,0,0|1,0,1]=4 20057 B12R1.910 COC(=O)NCC(=O)CC1CC1 1458a_100000215747_100000742324 [0,1,0,1,0,0|1,0,1]=4 20058 B12R1.925 CCCCC(C)OC1CCC1=O 34a_100000687866_100009892977 [0,1,0,1,0,0|2,0,0]=4 20059 B12R1.925 CCCCC(C)OC1CCC1=O 7a_100000687866_100009892977 [0,1,0,1,0,0|2,0,0]=4 20060 B12R1.925 CCCCC(C)SC1CCC1=O 62a_100009892977_200011215066 [0,1,0,1,0,0|2,0,0]=4 20061 B12R1.925 CCCCC(C)SC1CCC1=O 62a_200011215066_100009892977 [0,1,0,1,0,0|2,0,0]=4 20062 B12R1.1657 CCC(=O)N1CCCCC(C1)O 240690a_100025706797_100000210414 [0,1,0,1,0,0|2,0,0]=4 20063 B12R1.1657 CNC(=O)N1CCCCC(C1)O 2708a_100102657272_100025706797 [0,1,0,1,0,0|2,0,0]=4 20064 B12R1.1657 CNC(=O)N1CCCCC(C1)O 273464a_100102657272_100025706797 [0,1,0,1,0,0|2,0,0]=4 20065 B12R1.1677 CCC(=O)COC1(CCCC1)C 7a_100000751722_100000747405 [0,1,0,1,0,0|2,0,0]=4 20066 B12R1.1677 CCC(=O)NCC1(CCCC1)O 11a_100000737848_100000210414 [0,1,0,1,0,0|2,0,0]=4 20067 B12R1.1677 CCC(=O)NCC1(CCCC1)O 1626a_100000737848_100000210414 [0,1,0,1,0,0|2,0,0]=4 20068 B12R1.1677 CCC(=O)NCC1(CCCC1)O 240690a_100000737848_100000210414 [0,1,0,1,0,0|2,0,0]=4 20069 B12R1.1677 CCC(=O)NCC1(CCCC1)O 527a_100000737848_100000210414 [0,1,0,1,0,0|2,0,0]=4 20070 B12R1.1677 CNC(=O)COC1(CCCC1)C 34a_100000751722_100000183359 [0,1,0,1,0,0|2,0,0]=4 20071 B12R1.1677 CNC(=O)COC1(CCCC1)C 7a_100000751722_100000183359 [0,1,0,1,0,0|2,0,0]=4 20072 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100000737848_106832991635 [0,1,0,1,0,0|2,0,0]=4 20073 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100102657272_100000737848 [0,1,0,1,0,0|2,0,0]=4 20074 B12R1.1677 CNC(=O)NCC1(CCCC1)O 273464a_100102657272_100000737848 [0,1,0,1,0,0|2,0,0]=4 20075 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_100000737848_100102657272 [0,1,0,1,0,0|2,0,0]=4 20076 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_106832991638_100000737848 [0,1,0,1,0,0|2,0,0]=4 20077 B12R1.1677 COC(=O)CNC1(CCOC1)C 2230a_100000693475_100000747449 [0,1,0,1,0,0|2,0,0]=4 20078 B12R1.1677 COC(=O)COC1(CCCC1)C 34a_100000751722_100000747449 [0,1,0,1,0,0|1,0,0]=3 20079 B12R1.1677 COC(=O)COC1(CCCC1)C 7a_100000751722_100000747449 [0,1,0,1,0,0|1,0,0]=3 20080 B12R1.1926 C=C1C[C@H](N(C1)CC)C(=O)OC 2230a_100025771018_100000210202 [0,1,0,1,0,0|1,0,1]=4 20081 B12R1.1926 CCN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000210202 [0,1,0,1,0,0|1,0,0]=3 20082 B12R1.1926 CCN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000204670 [0,1,0,1,0,0|1,0,0]=3 20083 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100000210202 [0,1,0,1,0,0|1,0,0]=3 20084 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000204670 [0,1,0,1,0,0|1,0,0]=3 20085 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 34a_100000724535_100000210202 [0,1,0,1,0,0|1,0,0]=3 20086 B12R1.1926 COC(=O)[C@@H]1C[C@@H](CN1CF)F 269982a_100000724535_100015361967 [0,1,0,1,0,0|2,0,0]=4 20087 B12R1.1926 COC(=O)[C@@H]1C[C@@H](CN1CF)F 34a_100000724535_100015361967 [0,1,0,1,0,0|2,0,0]=4 20088 B12R1.1926 COC(=O)[C@@H]1C[C@H](CN1CF)O 269982a_100000753705_100015361967 [0,1,0,1,0,0|2,0,0]=4 20089 B12R1.2217 CCC(=O)CN1C(CCC1C)C 269982a_100000687148_100000747405 [0,1,0,1,0,0|2,0,0]=4 20090 B12R1.2217 CNC(=O)CN1C(CCC1C)C 2230a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 20091 B12R1.2217 CNC(=O)CN1C(CCC1C)C 269982a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 20092 B12R1.2217 CNC(=O)CN1C(CCC1C)C 34a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 20093 B12R1.2217 COC(=O)CN1C(CCC1C)C 2230a_100000687148_100000747449 [0,1,0,1,0,0|1,0,0]=3 20094 B12R1.2217 COC(=O)CN1C(CCC1C)C 269982a_100000687148_100000747449 [0,1,0,1,0,0|1,0,0]=3 20095 B12R1.2217 COC(=O)CN1C(CCC1C)C 34a_100000687148_100000747449 [0,1,0,1,0,0|1,0,0]=3 20096 B12R1.2259 CCCOC1(CCC(=O)CC1)C 34a_100012184276_100000210303 [0,1,0,1,0,0|2,0,0]=4 20097 B12R1.2259 CCCOC1(CCC(=O)CC1)C 7a_100012184276_100000210303 [0,1,0,1,0,0|2,0,0]=4 20098 B12R1.3608 COC(=O)CNC(=O)C1CC1C 188690a_100000185156_100000211227 [0,1,0,1,0,0|1,0,1]=4 20099 B12R1.49 C=C1CCN(CC1)CC(=O)OC 2230a_100000752442_100000747449 [0,1,0,1,0,0|1,0,1]=4 20100 B12R1.49 C=C1CCN(CC1)CC(=O)OC 269982a_100000752442_100000747449 [0,1,0,1,0,0|1,0,1]=4 20101 B12R1.49 C=C1CCN(CC1)CC(=O)OC 34a_100000752442_100000747449 [0,1,0,1,0,0|1,0,1]=4 20102 B12R1.49 CC1CCC(CC1)CC(=O)CF 1458a_100011215564_100015361967 [0,1,0,1,0,0|2,0,0]=4 20103 B12R1.49 CCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210202 [0,1,0,1,0,0|1,0,0]=3 20104 B12R1.49 CCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210202 [0,1,0,1,0,0|1,0,0]=3 20105 B12R1.49 CCC(=O)CC1CCN(CC1)C 1458a_100000700355_100000210202 [0,1,0,1,0,0|2,0,0]=4 20106 B12R1.49 CCC(=O)CN1CCC(CC1)C 1458a_100000238061_100000210202 [0,1,0,1,0,0|2,0,0]=4 20107 B12R1.49 CCC(=O)CN1CCC(CC1)C 269982a_100000188429_100000747405 [0,1,0,1,0,0|2,0,0]=4 20108 B12R1.49 CCC(=O)CN1CCC(CC1)F 269982a_100015193889_100000747405 [0,1,0,1,0,0|2,0,0]=4 20109 B12R1.49 CCC(=O)CN1CCC(CC1)O 269982a_100025773856_100000747405 [0,1,0,1,0,0|2,0,0]=4 20110 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210414 [0,1,0,1,0,0|2,0,0]=4 20111 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210414 [0,1,0,1,0,0|2,0,0]=4 20112 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000210414 [0,1,0,1,0,0|2,0,0]=4 20113 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000210414 [0,1,0,1,0,0|2,0,0]=4 20114 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210414 [0,1,0,1,0,0|2,0,0]=4 20115 B12R1.49 CCC(C)NC1CCC(=O)NC1 2230a_100000748762_100000758301 [0,1,0,1,0,0|2,0,0]=4 20116 B12R1.49 CCC(C)NC1CCC(=O)NC1 34a_100000748762_100011215416 [0,1,0,1,0,0|2,0,0]=4 20117 B12R1.49 CCC(C)OC1CCC(=O)CC1 34a_100000764474_100011215416 [0,1,0,1,0,0|2,0,0]=4 20118 B12R1.49 CCC(C)OC1CCC(=O)CC1 7a_100000764474_100000758301 [0,1,0,1,0,0|2,0,0]=4 20119 B12R1.49 CCC(C)OC1CCC(=O)NC1 34a_100000079199_100011215416 [0,1,0,1,0,0|2,0,0]=4 20120 B12R1.49 CNC(=O)CC1CCC(CC1)C 11a_106832991635_100011215564 [0,1,0,1,0,0|1,0,0]=3 20121 B12R1.49 CNC(=O)CC1CCC(CC1)C 1626a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 20122 B12R1.49 CNC(=O)CC1CCC(CC1)C 240690a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 20123 B12R1.49 CNC(=O)CC1CCC(CC1)C 527a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 20124 B12R1.49 CNC(=O)CC1CCC(CC1)O 1626a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 20125 B12R1.49 CNC(=O)CC1CCC(CC1)O 240690a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 20126 B12R1.49 CNC(=O)CC1CCC(CC1)O 527a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 20127 B12R1.49 CNC(=O)CC1CCN(CC1)C 11a_106832991635_100000700355 [0,1,0,1,0,0|2,0,0]=4 20128 B12R1.49 CNC(=O)CC1CCN(CC1)C 1626a_100102657272_100000700355 [0,1,0,1,0,0|2,0,0]=4 20129 B12R1.49 CNC(=O)CC1CCN(CC1)C 2230a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 20130 B12R1.49 CNC(=O)CC1CCN(CC1)C 240690a_100102657272_100000700355 [0,1,0,1,0,0|2,0,0]=4 20131 B12R1.49 CNC(=O)CC1CCN(CC1)C 269982a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 20132 B12R1.49 CNC(=O)CC1CCN(CC1)C 34a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 20133 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 2230a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 20134 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 269982a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 20135 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 34a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 20136 B12R1.49 CNC(=O)CN1CCC(CC1)C 11a_106832991635_100000238061 [0,1,0,1,0,0|2,0,0]=4 20137 B12R1.49 CNC(=O)CN1CCC(CC1)C 1626a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 20138 B12R1.49 CNC(=O)CN1CCC(CC1)C 2230a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 20139 B12R1.49 CNC(=O)CN1CCC(CC1)C 240690a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 20140 B12R1.49 CNC(=O)CN1CCC(CC1)C 269982a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 20141 B12R1.49 CNC(=O)CN1CCC(CC1)C 34a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 20142 B12R1.49 CNC(=O)CN1CCC(CC1)C 527a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 20143 B12R1.49 CNC(=O)CN1CCC(CC1)F 2230a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 20144 B12R1.49 CNC(=O)CN1CCC(CC1)F 269982a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 20145 B12R1.49 CNC(=O)CN1CCC(CC1)F 34a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 20146 B12R1.49 CNC(=O)CN1CCC(CC1)O 2230a_100025773856_100000183359 [0,1,0,1,0,0|2,0,0]=4 20147 B12R1.49 CNC(=O)CN1CCC(CC1)O 269982a_100025773856_100000183359 [0,1,0,1,0,0|2,0,0]=4 20148 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 20149 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 20150 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 20151 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 20152 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 20153 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 20154 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 20155 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 20156 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 20157 B12R1.49 COC(=O)CC1CCN(CC1)C 2230a_100015189564_200000210301 [0,1,0,1,0,0|1,0,0]=3 20158 B12R1.49 COC(=O)CC1CCN(CC1)C 269982a_100015189564_200000210301 [0,1,0,1,0,0|1,0,0]=3 20159 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 2230a_100015189564_200025704644 [0,1,0,1,0,0|1,0,0]=3 20160 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 269982a_100015189564_200025704644 [0,1,0,1,0,0|1,0,0]=3 20161 B12R1.49 COC(=O)CN1CCC(CC1)C 2230a_100000188429_100000747449 [0,1,0,1,0,0|1,0,0]=3 20162 B12R1.49 COC(=O)CN1CCC(CC1)C 269982a_100000188429_100000747449 [0,1,0,1,0,0|1,0,0]=3 20163 B12R1.49 COC(=O)CN1CCC(CC1)C 34a_100000188429_100000747449 [0,1,0,1,0,0|1,0,0]=3 20164 B12R1.49 COC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747449 [0,1,0,1,0,0|1,0,0]=3 20165 B12R1.49 COC(=O)CN1CCC(CC1)F 269982a_100015193889_100000747449 [0,1,0,1,0,0|1,0,0]=3 20166 B12R1.49 COC(=O)CN1CCC(CC1)F 34a_100015193889_100000747449 [0,1,0,1,0,0|1,0,0]=3 20167 B12R1.49 COC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747449 [0,1,0,1,0,0|1,0,0]=3 20168 B12R1.49 COC(=O)CN1CCC(CC1)O 269982a_100025773856_100000747449 [0,1,0,1,0,0|1,0,0]=3 20169 B12R1.49 COC(=O)CN1CCN(CC1)C 2230a_100000188432_100000747449 [0,1,0,1,0,0|2,0,0]=4 20170 B12R1.49 COC(=O)CN1CCN(CC1)C 2230a_100020603342_200000210301 [0,1,0,1,0,0|2,0,0]=4 20171 B12R1.49 COC(=O)CN1CCN(CC1)C 269982a_100000188432_100000747449 [0,1,0,1,0,0|2,0,0]=4 20172 B12R1.49 COC(=O)CN1CCN(CC1)C 269982a_100020603342_200000210301 [0,1,0,1,0,0|2,0,0]=4 20173 B12R1.49 COC(=O)CN1CCN(CC1)[13CH3] 2230a_100020603342_200025704644 [0,1,0,1,0,0|2,0,0]=4 20174 B12R1.49 COC(=O)CN1CCN(CC1)[13CH3] 269982a_100020603342_200025704644 [0,1,0,1,0,0|2,0,0]=4 20175 B12R1.49 COC(=O)CN1CCS(=O)CC1 2230a_100000752083_100000747449 [0,1,0,1,0,0|2,0,0]=4 20176 B12R1.49 COC(=O)CN1CCS(=O)CC1 269982a_100000752083_100000747449 [0,1,0,1,0,0|2,0,0]=4 20177 B12R1.49 COC(=O)NC1CCN(CC1)C 2230a_100025775168_200000210301 [0,1,0,1,0,0|2,0,0]=4 20178 B12R1.49 COC(=O)NC1CCN(CC1)C 269982a_100025775168_200000210301 [0,1,0,1,0,0|2,0,0]=4 20179 B12R1.49 COC(=O)NC1CCN(CC1)C 34a_100025775168_200000210301 [0,1,0,1,0,0|2,0,0]=4 20180 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 2230a_100025775168_200025704644 [0,1,0,1,0,0|2,0,0]=4 20181 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 269982a_100025775168_200025704644 [0,1,0,1,0,0|2,0,0]=4 20182 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 34a_100025775168_200025704644 [0,1,0,1,0,0|2,0,0]=4 20183 B12R1.49 O=C(CF)CC1CCC(CC1)O 1458a_100012184027_100015361967 [0,1,0,1,0,0|2,0,0]=4 20184 B12R1.61 CCC(=O)CC1CCN(C1)CC 1458a_100000210414_100015184589 [0,1,0,1,0,0|2,0,0]=4 20185 B12R1.61 CCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000210202 [0,1,0,1,0,0|1,0,0]=3 20186 B12R1.61 CCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000204670 [0,1,0,1,0,0|1,0,0]=3 20187 B12R1.61 COC(=O)CN1CCC(C1)CO 2230a_100000748654_100000747449 [0,1,0,1,0,0|2,0,0]=4 20188 B12R1.61 COC(=O)CN1CCC(C1)CO 269982a_100000748654_100000747449 [0,1,0,1,0,0|2,0,0]=4 20189 B12R1.61 COC(=O)CN1CCC(C1)CO 34a_100000748654_100000747449 [0,1,0,1,0,0|2,0,0]=4 20190 B12R1.61 COC(=O)CN1CC[C@H](C1)OC 2230a_100000766984_100000747449 [0,1,0,1,0,0|2,0,0]=4 20191 B12R1.61 COC(=O)CN1CC[C@H](C1)OC 269982a_100000766984_100000747449 [0,1,0,1,0,0|2,0,0]=4 20192 B12R1.61 COC(=O)C[C@H]1CCN(C1)CF 269982a_100020634416_100015361967 [0,1,0,1,0,0|2,0,0]=4 20193 B12R1.435 CCC(=O)C1CCCC(C1)OC 1458a_100011215561_100000210202 [0,1,0,1,0,0|2,0,0]=4 20194 B12R1.435 CCC(=O)C1CCCN(C1)CC 1458a_100000743261_100000210202 [0,1,0,1,0,0|2,0,0]=4 20195 B12R1.435 CCN1CCCC(C1)C(=O)NC 11a_106832991635_100000743261 [0,1,0,1,0,0|2,0,0]=4 20196 B12R1.435 CCN1CCCC(C1)C(=O)NC 2230a_100000754358_100000210202 [0,1,0,1,0,0|2,0,0]=4 20197 B12R1.435 CCN1CCCC(C1)C(=O)NC 240690a_100102657272_100000743261 [0,1,0,1,0,0|2,0,0]=4 20198 B12R1.435 CCN1CCCC(C1)C(=O)NC 269982a_100000754358_100000204670 [0,1,0,1,0,0|2,0,0]=4 20199 B12R1.435 CCN1CCCC(C1)C(=O)NC 34a_100000754358_100000210202 [0,1,0,1,0,0|2,0,0]=4 20200 B12R1.435 CCN1CCCC(C1)C(=O)NC 527a_100102657272_100000743261 [0,1,0,1,0,0|2,0,0]=4 20201 B12R1.435 CCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000210202 [0,1,0,1,0,0|1,0,0]=3 20202 B12R1.435 CCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000204670 [0,1,0,1,0,0|1,0,0]=3 20203 B12R1.435 CCN1CCOC(C1)C(=O)OC 2230a_100000751517_100000210202 [0,1,0,1,0,0|2,0,0]=4 20204 B12R1.435 CCN1CCOC(C1)C(=O)OC 269982a_100000751517_100000204670 [0,1,0,1,0,0|2,0,0]=4 20205 B12R1.435 CCN1CCOC(C1)C(=O)OC 34a_100000751517_100000210202 [0,1,0,1,0,0|2,0,0]=4 20206 B12R1.435 CNC(=O)C1CCCC(C1)OC 11a_106832991635_100011215561 [0,1,0,1,0,0|2,0,0]=4 20207 B12R1.435 CNC(=O)C1CCCC(C1)OC 1626a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 20208 B12R1.435 CNC(=O)C1CCCC(C1)OC 240690a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 20209 B12R1.435 CNC(=O)C1CCCC(C1)OC 527a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 20210 B12R1.435 COC(=O)C1CCCC(C1)OC 34a_100012184231_200000210301 [0,1,0,1,0,0|1,0,0]=3 20211 B12R1.435 COC(=O)C1CCCC(C1)OC 7a_100012184231_200000210301 [0,1,0,1,0,0|1,0,0]=3 20212 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 34a_100012184231_200025704644 [0,1,0,1,0,0|1,0,0]=3 20213 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 7a_100012184231_200025704644 [0,1,0,1,0,0|1,0,0]=3 20214 B12R1.435 COC(=O)[C@H]1CCCN(C1)CF 269982a_100016988859_100015361967 [0,1,0,1,0,0|2,0,0]=4 20215 B12R1.1658 CCC(=O)N1CCCC(CC1)C 11a_100025706717_100000210414 [0,1,0,1,0,0|2,0,0]=4 20216 B12R1.1658 CCC(=O)N1CCCC(CC1)C 1626a_100025706717_100000210414 [0,1,0,1,0,0|2,0,0]=4 20217 B12R1.1658 CCC(=O)N1CCCC(CC1)C 240690a_100025706717_100000210414 [0,1,0,1,0,0|2,0,0]=4 20218 B12R1.1658 CCC(=O)N1CCCC(CC1)C 527a_100025706717_100000210414 [0,1,0,1,0,0|2,0,0]=4 20219 B12R1.1658 CCC(=O)N1CCCC(CC1)O 240690a_100015186869_100000210414 [0,1,0,1,0,0|2,0,0]=4 20220 B12R1.1658 CCC(=O)N1CCCC(CC1)O 527a_100015186869_100000210414 [0,1,0,1,0,0|2,0,0]=4 20221 B12R1.1658 CNC(=O)N1CCCC(CC1)C 2708a_100102657272_100025706717 [0,1,0,1,0,0|2,0,0]=4 20222 B12R1.1658 CNC(=O)N1CCCC(CC1)C 273464a_100102657272_100025706717 [0,1,0,1,0,0|2,0,0]=4 20223 B12R1.1658 CNC(=O)N1CCCC(CC1)O 2708a_100102657272_100015186869 [0,1,0,1,0,0|2,0,0]=4 20224 B12R1.1658 CNC(=O)N1CCCC(CC1)O 273464a_100102657272_100015186869 [0,1,0,1,0,0|2,0,0]=4 20225 B12R1.1658 COC(=O)N1CCCN(CC1)C 2230a_100000748934_200000210301 [0,1,0,1,0,0|2,0,0]=4 20226 B12R1.1658 COC(=O)N1CCCN(CC1)C 269982a_100000748934_200000210301 [0,1,0,1,0,0|2,0,0]=4 20227 B12R1.1658 COC(=O)N1CCCN(CC1)[13CH3] 2230a_100000748934_200025704644 [0,1,0,1,0,0|2,0,0]=4 20228 B12R1.1658 COC(=O)N1CCCN(CC1)[13CH3] 269982a_100000748934_200025704644 [0,1,0,1,0,0|2,0,0]=4 20229 B12R1.1678 CNC(=O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000737683 [0,1,0,1,0,0|2,0,0]=4 20230 B12R1.1678 CNC(=O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000737683 [0,1,0,1,0,0|2,0,0]=4 20231 B12R1.1678 COC(=O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000204255 [0,1,0,1,0,0|1,0,0]=3 20232 B12R1.1678 COC(=O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204255 [0,1,0,1,0,0|1,0,0]=3 20233 B12R1.1686 CNC(=O)CCCNC1(CC1)C 2230a_100000757604_100000741757 [0,1,0,1,0,0|2,0,0]=4 20234 B12R1.1686 CNC(=O)CCCOC1(CC1)C 7a_100011725673_100000741757 [0,1,0,1,0,0|2,0,0]=4 20235 B12R1.1686 CNC(=O)CCNCC1(CC1)C 2230a_100000766693_100000737683 [0,1,0,1,0,0|2,0,0]=4 20236 B12R1.1686 CNC(=O)CCNCC1(CC1)O 2230a_100011936951_100000737683 [0,1,0,1,0,0|2,0,0]=4 20237 B12R1.1686 CNC(=O)CCOCC1(CC1)C 7a_100000698024_100000737683 [0,1,0,1,0,0|2,0,0]=4 20238 B12R1.1686 CNC(=O)CCOCC1(CC1)F 34a_200000703853_100012179268 [0,1,0,1,0,0|2,0,0]=4 20239 B12R1.1686 CNC(=O)CCOCC1(CC1)F 7a_200000703853_100000737683 [0,1,0,1,0,0|2,0,0]=4 20240 B12R1.1686 COC(=O)CCCNC1(CC1)C 2230a_100000757604_100011218270 [0,1,0,1,0,0|1,0,0]=3 20241 B12R1.1686 COC(=O)CCCOC1(CC1)C 7a_100011725673_100011218270 [0,1,0,1,0,0|1,0,0]=3 20242 B12R1.1686 COC(=O)CCNCC1(CC1)C 2230a_100000766693_100000204255 [0,1,0,1,0,0|1,0,0]=3 20243 B12R1.1686 COC(=O)CCNCC1(CC1)O 2230a_100011936951_100000204255 [0,1,0,1,0,0|1,0,0]=3 20244 B12R1.1686 COC(=O)CCOCC1(CC1)C 7a_100000698024_100000204255 [0,1,0,1,0,0|1,0,0]=3 20245 B12R1.1686 COC(=O)CCOCC1(CC1)F 34a_200000703853_100000742370 [0,1,0,1,0,0|1,0,0]=3 20246 B12R1.1686 COC(=O)CCOCC1(CC1)F 7a_200000703853_100000204255 [0,1,0,1,0,0|1,0,0]=3 20247 B12R1.1686 COC(=O)CCSCC1(CO1)C 62a_100000204255_100000760498 [0,1,0,1,0,0|2,0,0]=4 20248 B12R1.1686 COC(=O)CCSCC1(CO1)C 62a_100000760498_100000204255 [0,1,0,1,0,0|2,0,0]=4 20249 B12R1.1710 CCC(=O)N1CC[C@H]1C(=O)OC 11a_102516456887_100000210414 [0,1,0,1,0,0|1,0,1]=4 20250 B12R1.1710 CCC(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000210414 [0,1,0,1,0,0|1,0,1]=4 20251 B12R1.1710 CCC(=O)N1CC[C@H]1C(=O)OC 240690a_102516456887_100000210414 [0,1,0,1,0,0|1,0,1]=4 20252 B12R1.1710 CCC(=O)N1CC[C@H]1C(=O)OC 527a_102516456887_100000210414 [0,1,0,1,0,0|1,0,1]=4 20253 B12R1.1710 CCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000210202 [0,1,0,1,0,0|0,0,1]=3 20254 B12R1.1710 CCC(C)N1CC[C@H]1C(=O)OC 2230a_102516456887_100000758301 [0,1,0,1,0,0|1,0,0]=3 20255 B12R1.1710 CCC(C)N1CC[C@H]1C(=O)OC 269982a_102516456887_100000758301 [0,1,0,1,0,0|1,0,0]=3 20256 B12R1.1710 CNC(=O)[C@H]1CC[C@H]1C(=O)OC 11a_106832991635_100009908320 [0,1,0,1,0,0|1,0,1]=4 20257 B12R1.1710 CNC(=O)[C@H]1CC[C@H]1C(=O)OC 240690a_100102657272_100009908320 [0,1,0,1,0,0|1,0,1]=4 20258 B12R1.1710 COC(=O)[C@@H]1CCN1C(C)CO 2230a_102516456887_100012180447 [0,1,0,1,0,0|2,0,0]=4 20259 B12R1.1710 COC(=O)[C@@H]1CCN1C(C)OC 269982a_102516456887_100009879195 [0,1,0,1,0,0|2,0,0]=4 20260 B12R1.1710 COC(=O)[C@@H]1CCN1[C@H](C)CO 269982a_102516456887_100016084084 [0,1,0,1,0,0|2,0,0]=4 20261 B12R1.1710 COC(=O)[C@@H]1CC[C@@H]1C(=O)CF 1458a_100009908320_100015361967 [0,1,0,1,0,0|1,0,1]=4 20262 B12R1.1747 CCC(C)CN1CC1C(=O)OC 2230a_200009830135_100000748023 [0,1,0,1,0,0|1,0,0]=3 20263 B12R1.1747 CCC(C)CN1CC1C(=O)OC 270004a_200009830135_100000243153 [0,1,0,1,0,0|1,0,0]=3 20264 B12R1.1747 CCC(O)CN1CC1C(=O)OC 2230a_200009830135_100011218378 [0,1,0,1,0,0|1,0,0]=3 20265 B12R1.1747 CC[C@H](C)CN1CC1C(=O)OC 2230a_200009830135_100009816398 [0,1,0,1,0,0|1,0,0]=3 20266 B12R1.1747 COC(=O)C1CN1CC(O)CO 2230a_200009830135_100011219619 [0,1,0,1,0,0|2,0,0]=4 20267 B12R1.1747 COC(=O)C1CN1C[C@@H](C)CO 2230a_200009830135_100000059175 [0,1,0,1,0,0|2,0,0]=4 20268 B12R1.1747 COC(=O)C1CN1C[C@@H](O)CF 2230a_200009830135_100015614560 [0,1,0,1,0,0|2,0,0]=4 20269 B12R1.1747 COC(=O)C1CN1C[C@@H](O)CO 2230a_200009830135_100009815848 [0,1,0,1,0,0|2,0,0]=4 20270 B12R1.21 CC(C)CNC1CCC(=O)NC1 2230a_100000748762_100000210760 [0,1,0,1,0,0|2,0,0]=4 20271 B12R1.21 CC(C)CNC1CCC(=O)NC1 270004a_100000748762_100000210432 [0,1,0,1,0,0|2,0,0]=4 20272 B12R1.21 CC(C)CNC1CCC(=O)NC1 34a_100000748762_100000210624 [0,1,0,1,0,0|2,0,0]=4 20273 B12R1.21 CC(C)COC1CCC(=O)CC1 34a_100000764474_100000210624 [0,1,0,1,0,0|2,0,0]=4 20274 B12R1.21 CC(C)COC1CCC(=O)CC1 7a_100000764474_100000210760 [0,1,0,1,0,0|2,0,0]=4 20275 B12R1.21 CC(C)COC1CCC(=O)NC1 34a_100000079199_100000210624 [0,1,0,1,0,0|2,0,0]=4 20276 B12R1.21 CC(C)OCC1CCC(=O)CC1 34a_100000062911_100000210206 [0,1,0,1,0,0|2,0,0]=4 20277 B12R1.21 CC(O)CNC1CCC(=O)NC1 2230a_100000748762_100011218427 [0,1,0,1,0,0|2,0,0]=4 20278 B12R1.21 CC(O)CNC1CCC(=O)NC1 34a_100000748762_100011218427 [0,1,0,1,0,0|2,0,0]=4 20279 B12R1.21 CC(O)COC1CCC(=O)CC1 34a_100000764474_100011218427 [0,1,0,1,0,0|2,0,0]=4 20280 B12R1.21 CC(O)COC1CCC(=O)CC1 7a_100000764474_100011218427 [0,1,0,1,0,0|2,0,0]=4 20281 B12R1.21 CC(O)COC1CCC(=O)NC1 34a_100000079199_100011218427 [0,1,0,1,0,0|2,0,0]=4 20282 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 2230a_100000748762_100009817552 [0,1,0,1,0,0|2,0,0]=4 20283 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 34a_100000748762_100009817552 [0,1,0,1,0,0|2,0,0]=4 20284 B12R1.21 C[C@@H](O)COC1CCC(=O)CC1 34a_100000764474_100009817552 [0,1,0,1,0,0|2,0,0]=4 20285 B12R1.21 C[C@@H](O)COC1CCC(=O)CC1 7a_100000764474_100009817552 [0,1,0,1,0,0|2,0,0]=4 20286 B12R1.21 C[C@@H](O)COC1CCC(=O)NC1 34a_100000079199_100009817552 [0,1,0,1,0,0|2,0,0]=4 20287 B12R1.50 CC1CCCC(C1)CC(=O)CF 1458a_100000748788_100015361967 [0,1,0,1,0,0|2,0,0]=4 20288 B12R1.50 CCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210202 [0,1,0,1,0,0|1,0,0]=3 20289 B12R1.50 CCC(=O)CC1CCCN(C1)C 1458a_100000210414_100015183302 [0,1,0,1,0,0|2,0,0]=4 20290 B12R1.50 CCC(=O)CN1CCCC(C1)F 269982a_100000697950_100000747405 [0,1,0,1,0,0|2,0,0]=4 20291 B12R1.50 CCC(=O)CN1CCCC(C1)O 269982a_100000211013_100000747405 [0,1,0,1,0,0|2,0,0]=4 20292 B12R1.50 CCC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747405 [0,1,0,1,0,0|2,0,0]=4 20293 B12R1.50 CCC(=O)NC1CCCC(C1)C 11a_100011194320_100000210414 [0,1,0,1,0,0|2,0,0]=4 20294 B12R1.50 CCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000210414 [0,1,0,1,0,0|2,0,0]=4 20295 B12R1.50 CCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000210414 [0,1,0,1,0,0|2,0,0]=4 20296 B12R1.50 CCC(=O)NC1CCCC(C1)C 527a_100011194320_100000210414 [0,1,0,1,0,0|2,0,0]=4 20297 B12R1.50 CCC(=O)NC1CCCC(C1)O 1626a_100015190357_100000210414 [0,1,0,1,0,0|2,0,0]=4 20298 B12R1.50 CCC(=O)NC1CCCC(C1)O 240690a_100015190357_100000210414 [0,1,0,1,0,0|2,0,0]=4 20299 B12R1.50 CNC(=O)CC1CCCC(C1)C 11a_106832991635_100000748788 [0,1,0,1,0,0|1,0,0]=3 20300 B12R1.50 CNC(=O)CC1CCCC(C1)C 1626a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 20301 B12R1.50 CNC(=O)CC1CCCC(C1)C 240690a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 20302 B12R1.50 CNC(=O)CC1CCCC(C1)C 527a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 20303 B12R1.50 CNC(=O)CN1CCCC(C1)F 2230a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 20304 B12R1.50 CNC(=O)CN1CCCC(C1)F 269982a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 20305 B12R1.50 CNC(=O)CN1CCCC(C1)F 34a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 20306 B12R1.50 CNC(=O)CN1CCCC(C1)O 2230a_100000211013_100000183359 [0,1,0,1,0,0|2,0,0]=4 20307 B12R1.50 CNC(=O)CN1CCCC(C1)O 269982a_100000211013_100000183359 [0,1,0,1,0,0|2,0,0]=4 20308 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 20309 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 20310 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 20311 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100011194320_106832991635 [0,1,0,1,0,0|2,0,0]=4 20312 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100102657272_100011194320 [0,1,0,1,0,0|2,0,0]=4 20313 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100011194320_100102657272 [0,1,0,1,0,0|2,0,0]=4 20314 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100102657272_100011194320 [0,1,0,1,0,0|2,0,0]=4 20315 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_100011194320_100102657272 [0,1,0,1,0,0|2,0,0]=4 20316 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_106832991638_100011194320 [0,1,0,1,0,0|2,0,0]=4 20317 B12R1.50 CNC(=O)NC1CCCC(C1)O 2708a_100102657272_100015190357 [0,1,0,1,0,0|2,0,0]=4 20318 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100015190357_100102657272 [0,1,0,1,0,0|2,0,0]=4 20319 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100102657272_100015190357 [0,1,0,1,0,0|2,0,0]=4 20320 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_100015190357_100102657272 [0,1,0,1,0,0|2,0,0]=4 20321 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_106832991638_100015190357 [0,1,0,1,0,0|2,0,0]=4 20322 B12R1.50 COC(=O)CC1CCCN(C1)C 2230a_100016989293_200000210301 [0,1,0,1,0,0|1,0,0]=3 20323 B12R1.50 COC(=O)CC1CCCN(C1)C 269982a_100016989293_200000210301 [0,1,0,1,0,0|1,0,0]=3 20324 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 2230a_100016989293_200025704644 [0,1,0,1,0,0|1,0,0]=3 20325 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 269982a_100016989293_200025704644 [0,1,0,1,0,0|1,0,0]=3 20326 B12R1.50 COC(=O)CC1CN(CCO1)C 2230a_100000684468_200000210301 [0,1,0,1,0,0|2,0,0]=4 20327 B12R1.50 COC(=O)CC1CN(CCO1)C 269982a_100000684468_200000210301 [0,1,0,1,0,0|2,0,0]=4 20328 B12R1.50 COC(=O)CC1CN(CCO1)[13CH3] 2230a_100000684468_200025704644 [0,1,0,1,0,0|2,0,0]=4 20329 B12R1.50 COC(=O)CC1CN(CCO1)[13CH3] 269982a_100000684468_200025704644 [0,1,0,1,0,0|2,0,0]=4 20330 B12R1.50 COC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747449 [0,1,0,1,0,0|1,0,0]=3 20331 B12R1.50 COC(=O)CN1CCCC(C1)F 269982a_100000697950_100000747449 [0,1,0,1,0,0|1,0,0]=3 20332 B12R1.50 COC(=O)CN1CCCC(C1)F 34a_100000697950_100000747449 [0,1,0,1,0,0|1,0,0]=3 20333 B12R1.50 COC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747449 [0,1,0,1,0,0|1,0,0]=3 20334 B12R1.50 COC(=O)CN1CCCC(C1)O 269982a_100000211013_100000747449 [0,1,0,1,0,0|1,0,0]=3 20335 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000747449 [0,1,0,1,0,0|1,0,0]=3 20336 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747449 [0,1,0,1,0,0|1,0,0]=3 20337 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000747449 [0,1,0,1,0,0|1,0,0]=3 20338 B12R1.50 COC(=O)CN1CCOC(C1)C 2230a_100000729577_100000747449 [0,1,0,1,0,0|2,0,0]=4 20339 B12R1.50 COC(=O)CN1CCOC(C1)C 269982a_100000729577_100000747449 [0,1,0,1,0,0|2,0,0]=4 20340 B12R1.50 COC(=O)CN1CCOC(C1)C 34a_100000729577_100000747449 [0,1,0,1,0,0|2,0,0]=4 20341 B12R1.50 COC(=O)CN1CCOC(C1)O 2230a_100000688207_100000747449 [0,1,0,1,0,0|2,0,0]=4 20342 B12R1.50 COC(=O)CN1CCOC(C1)O 269982a_100000688207_100000747449 [0,1,0,1,0,0|2,0,0]=4 20343 B12R1.105 CC(Br)CCOC1COC(=O)O1 34a_100009893172_100000032252 [0,1,0,1,0,0|2,0,0]=4 20344 B12R1.105 CC(Br)COCC1COC(=O)O1 34a_100012180447_100000073702 [0,1,0,1,0,0|2,0,0]=4 20345 B12R1.105 CC(Br)COC[C@H]1COC(=O)N1 34a_100012180447_100015307671 [0,1,0,1,0,0|2,0,0]=4 20346 B12R1.105 CC(C)CCCN1CNC(=O)C1 2230a_200000708111_100011214892 [0,1,0,1,0,0|2,0,0]=4 20347 B12R1.105 CC(C)CCNC1CNC(=O)C1 2230a_100000697751_100000210312 [0,1,0,1,0,0|2,0,0]=4 20348 B12R1.105 CC(C)CCNC1CNC(=O)C1 269862a_100000697751_100000185833 [0,1,0,1,0,0|2,0,0]=4 20349 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,1,0,1,0,0|2,0,0]=4 20350 B12R1.105 CC(C)CCOC1CNC(=O)C1 34a_100000690082_100000210312 [0,1,0,1,0,0|2,0,0]=4 20351 B12R1.105 CC(C)CCOC1COC(=O)O1 34a_100000210254_100000032252 [0,1,0,1,0,0|2,0,0]=4 20352 B12R1.105 CC(C)CCSC1COC(=O)O1 62a_100000210312_100000032252 [0,1,0,1,0,0|2,0,0]=4 20353 B12R1.105 CC(C)CNCC1CNC(=O)C1 2230a_100016993742_100000210760 [0,1,0,1,0,0|2,0,0]=4 20354 B12R1.105 CC(C)CNCC1CNC(=O)C1 34a_100016993742_100000210624 [0,1,0,1,0,0|2,0,0]=4 20355 B12R1.105 CC(C)CNCC1COC(=O)O1 34a_100000210953_100000073702 [0,1,0,1,0,0|2,0,0]=4 20356 B12R1.105 CC(C)CNC[C@H]1COC(=O)N1 2230a_100000210953_100015307671 [0,1,0,1,0,0|2,0,0]=4 20357 B12R1.105 CC(C)CNC[C@H]1COC(=O)N1 34a_100000210953_100015307671 [0,1,0,1,0,0|2,0,0]=4 20358 B12R1.105 CC(C)COCC1CNC(=O)C1 34a_100016041077_100000210624 [0,1,0,1,0,0|2,0,0]=4 20359 B12R1.105 CC(C)COCC1COC(=O)O1 34a_100000210257_100000073702 [0,1,0,1,0,0|2,0,0]=4 20360 B12R1.105 CC(C)COC[C@H]1COC(=O)N1 34a_100000210257_100015307671 [0,1,0,1,0,0|2,0,0]=4 20361 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000073702_100000210760 [0,1,0,1,0,0|2,0,0]=4 20362 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000210624_100000073702 [0,1,0,1,0,0|2,0,0]=4 20363 B12R1.105 CC(C)CSC[C@H]1COC(=O)N1 62a_100000210624_100015307671 [0,1,0,1,0,0|2,0,0]=4 20364 B12R1.105 CC(C)CSC[C@H]1COC(=O)N1 62a_100015307671_100000210760 [0,1,0,1,0,0|2,0,0]=4 20365 B12R1.105 CC(F)COCC1COC(=O)O1 34a_100015925927_100000073702 [0,1,0,1,0,0|2,0,0]=4 20366 B12R1.105 CC(F)COC[C@H]1COC(=O)N1 34a_100015925927_100015307671 [0,1,0,1,0,0|2,0,0]=4 20367 B12R1.105 CC(O)CCCN1CNC(=O)C1 2230a_200000708111_200000718107 [0,1,0,1,0,0|2,0,0]=4 20368 B12R1.105 CC(O)CCNC1CNC(=O)C1 2230a_100000697751_100012276601 [0,1,0,1,0,0|2,0,0]=4 20369 B12R1.105 CC(O)CCOC1CCC(=O)C1 34a_100012614533_100012276601 [0,1,0,1,0,0|2,0,0]=4 20370 B12R1.105 CC(O)CCOC1CNC(=O)C1 34a_100000690082_100012276601 [0,1,0,1,0,0|2,0,0]=4 20371 B12R1.105 CC(O)CCSC1COC(=O)O1 62a_100012276601_100000032252 [0,1,0,1,0,0|2,0,0]=4 20372 B12R1.105 CC(O)CNCC1CNC(=O)C1 2230a_100016993742_100011218427 [0,1,0,1,0,0|2,0,0]=4 20373 B12R1.105 CC(O)CNCC1CNC(=O)C1 34a_100016993742_100011218427 [0,1,0,1,0,0|2,0,0]=4 20374 B12R1.105 CC(O)CNCC1COC(=O)O1 34a_100000210904_100000073702 [0,1,0,1,0,0|2,0,0]=4 20375 B12R1.105 CC(O)CNC[C@H]1COC(=O)N1 2230a_100000210904_100015307671 [0,1,0,1,0,0|2,0,0]=4 20376 B12R1.105 CC(O)CNC[C@H]1COC(=O)N1 34a_100000210904_100015307671 [0,1,0,1,0,0|2,0,0]=4 20377 B12R1.105 CC(O)COCC1CNC(=O)C1 34a_100016041077_100011218427 [0,1,0,1,0,0|2,0,0]=4 20378 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100000073702_100011218427 [0,1,0,1,0,0|2,0,0]=4 20379 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100011218427_100000073702 [0,1,0,1,0,0|2,0,0]=4 20380 B12R1.105 CC(O)CSC[C@H]1COC(=O)N1 62a_100011218427_100015307671 [0,1,0,1,0,0|2,0,0]=4 20381 B12R1.105 CC(O)CSC[C@H]1COC(=O)N1 62a_100015307671_100011218427 [0,1,0,1,0,0|2,0,0]=4 20382 B12R1.105 C[C@@H](Cl)COCC1COC(=O)O1 34a_100016084084_100000073702 [0,1,0,1,0,0|2,0,0]=4 20383 B12R1.105 C[C@@H](Cl)COC[C@H]1COC(=O)N1 34a_100016084084_100015307671 [0,1,0,1,0,0|2,0,0]=4 20384 B12R1.105 C[C@@H](N)CCOC1COC(=O)O1 34a_100000706166_100000032252 [0,1,0,1,0,0|2,0,0]=4 20385 B12R1.105 C[C@@H](N)COCC1COC(=O)O1 34a_100000737577_100000073702 [0,1,0,1,0,0|2,0,0]=4 20386 B12R1.105 C[C@@H](N)COC[C@H]1COC(=O)N1 34a_100000737577_100015307671 [0,1,0,1,0,0|2,0,0]=4 20387 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 2230a_100016993742_100009817552 [0,1,0,1,0,0|2,0,0]=4 20388 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 34a_100016993742_100009817552 [0,1,0,1,0,0|2,0,0]=4 20389 B12R1.105 C[C@@H](O)COCC1CNC(=O)C1 34a_100016041077_100009817552 [0,1,0,1,0,0|2,0,0]=4 20390 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100000073702_100009817552 [0,1,0,1,0,0|2,0,0]=4 20391 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100009817552_100000073702 [0,1,0,1,0,0|2,0,0]=4 20392 B12R1.105 C[C@@H](O)CSC[C@H]1COC(=O)N1 62a_100009817552_100015307671 [0,1,0,1,0,0|2,0,0]=4 20393 B12R1.105 C[C@@H](O)CSC[C@H]1COC(=O)N1 62a_100015307671_100009817552 [0,1,0,1,0,0|2,0,0]=4 20394 B12R1.229 CC(C)CCCNC1CCC1=O 34a_200000737386_100009892977 [0,1,0,1,0,0|2,0,0]=4 20395 B12R1.229 CC(C)CCCOC1CCC1=O 34a_100000210774_100009892977 [0,1,0,1,0,0|2,0,0]=4 20396 B12R1.229 CC(C)CCCOC1CCC1=O 7a_100000210774_100009892977 [0,1,0,1,0,0|2,0,0]=4 20397 B12R1.229 CC(C)CCCSC1CCC1=O 62a_100009892977_100011214892 [0,1,0,1,0,0|2,0,0]=4 20398 B12R1.229 CC(C)CCCSC1CCC1=O 62a_100011214892_100009892977 [0,1,0,1,0,0|2,0,0]=4 20399 B12R1.229 CC(C)CNCCC1CCC1=O 2230a_100000210953_200016118888 [0,1,0,1,0,0|2,0,0]=4 20400 B12R1.229 CC(C)CSCCC1CCC1=O 62a_100000210624_200016118888 [0,1,0,1,0,0|2,0,0]=4 20401 B12R1.229 CC(C)CSCCC1CCC1=O 62a_200016118888_100000210760 [0,1,0,1,0,0|2,0,0]=4 20402 B12R1.229 CC(O)CCCSC1CCC1=O 62a_100009892977_200000718107 [0,1,0,1,0,0|2,0,0]=4 20403 B12R1.229 CC(O)CCCSC1CCC1=O 62a_200000718107_100009892977 [0,1,0,1,0,0|2,0,0]=4 20404 B12R1.229 CC(O)CNCCC1CCC1=O 2230a_100000210904_200016118888 [0,1,0,1,0,0|2,0,0]=4 20405 B12R1.229 CC(O)CSCCC1CCC1=O 62a_100011218427_200016118888 [0,1,0,1,0,0|2,0,0]=4 20406 B12R1.229 CC(O)CSCCC1CCC1=O 62a_200016118888_100011218427 [0,1,0,1,0,0|2,0,0]=4 20407 B12R1.229 C[C@@H](O)CSCCC1CCC1=O 62a_100009817552_200016118888 [0,1,0,1,0,0|2,0,0]=4 20408 B12R1.229 C[C@@H](O)CSCCC1CCC1=O 62a_200016118888_100009817552 [0,1,0,1,0,0|2,0,0]=4 20409 B12R1.368 CCC(=O)N1CCCC1C(C)C 11a_100000762757_100000210414 [0,1,0,1,0,0|2,0,0]=4 20410 B12R1.368 CCC(=O)N1CCCC1C(C)C 1626a_100000762757_100000210414 [0,1,0,1,0,0|2,0,0]=4 20411 B12R1.368 CCC(=O)N1CCCC1C(C)C 240690a_100000762757_100000210414 [0,1,0,1,0,0|2,0,0]=4 20412 B12R1.368 CCC(=O)N1CCCC1C(C)C 527a_100000762757_100000210414 [0,1,0,1,0,0|2,0,0]=4 20413 B12R1.368 CCC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_100000210202 [0,1,0,1,0,0|2,0,0]=4 20414 B12R1.368 CNC(=O)N1CCCC1C(C)C 2708a_100102657272_100000762757 [0,1,0,1,0,0|2,0,0]=4 20415 B12R1.368 CNC(=O)N1CCCC1C(C)C 273464a_100102657272_100000762757 [0,1,0,1,0,0|2,0,0]=4 20416 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 2230a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 20417 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 269982a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 20418 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 34a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 20419 B12R1.368 CNC(=O)[C@H]1CCCN1C(C)C 240690a_100102657272_100009927065 [0,1,0,1,0,0|2,0,0]=4 20420 B12R1.368 CNC(=O)[C@H]1CCCN1C(C)C 527a_100102657272_100009927065 [0,1,0,1,0,0|2,0,0]=4 20421 B12R1.368 COC(=O)C1CSCN1C(C)C 269982a_200000724679_100000210206 [0,1,0,1,0,0|2,0,0]=4 20422 B12R1.368 COC(=O)C1SCCN1C(C)C 2230a_100015296106_100000210206 [0,1,0,1,0,0|2,0,0]=4 20423 B12R1.368 COC(=O)C1SCCN1C(C)C 269982a_100015296106_100000210206 [0,1,0,1,0,0|2,0,0]=4 20424 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 11a_100000752040_100015343762 [0,1,0,1,0,0|1,0,1]=4 20425 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 1626a_100000752040_100015343762 [0,1,0,1,0,0|1,0,1]=4 20426 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 240690a_100000752040_100015343762 [0,1,0,1,0,0|1,0,1]=4 20427 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 527a_100000752040_100103153847 [0,1,0,1,0,0|1,0,1]=4 20428 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 2230a_100000752040_100000210206 [0,1,0,1,0,0|1,0,0]=3 20429 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 269982a_100000752040_100000210206 [0,1,0,1,0,0|1,0,0]=3 20430 B12R1.394 C=C1CC(C1)CNCC(=O)OC 2230a_100102567296_100000747449 [0,1,0,1,0,0|1,0,1]=4 20431 B12R1.394 C=C1CC(C1)CNCC(=O)OC 34a_100102567296_100000747449 [0,1,0,1,0,0|1,0,1]=4 20432 B12R1.394 C=C1CC(C1)COCC(=O)OC 34a_100011011225_100000747449 [0,1,0,1,0,0|1,0,1]=4 20433 B12R1.394 C=C1CC(C1)NCCC(=O)OC 2230a_100132301982_100000204255 [0,1,0,1,0,0|1,0,1]=4 20434 B12R1.394 CNC(=O)CCCN1CC(C1)C 2230a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 20435 B12R1.394 CNC(=O)CCCN1CC(C1)C 269982a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 20436 B12R1.394 CNC(=O)CCCN1CC(C1)C 34a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 20437 B12R1.394 CNC(=O)CCCN1CC(C1)F 2230a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 20438 B12R1.394 CNC(=O)CCCN1CC(C1)F 269982a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 20439 B12R1.394 CNC(=O)CCCN1CC(C1)F 34a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 20440 B12R1.394 CNC(=O)CCCN1CC(C1)O 269982a_100000749847_100000741757 [0,1,0,1,0,0|2,0,0]=4 20441 B12R1.394 CNC(=O)CCNC1CC(C1)F 2230a_100016993743_100000737683 [0,1,0,1,0,0|2,0,0]=4 20442 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 20443 B12R1.394 CNC(=O)CNCC1CC(C1)O 2230a_100016992100_100000183359 [0,1,0,1,0,0|2,0,0]=4 20444 B12R1.394 CNC(=O)COCC1CC(C1)Cl 34a_100009874164_100000183359 [0,1,0,1,0,0|2,0,0]=4 20445 B12R1.394 COC(=O)CCCN1CC(C1)C 2230a_100000702820_100011218270 [0,1,0,1,0,0|1,0,0]=3 20446 B12R1.394 COC(=O)CCCN1CC(C1)C 269982a_100000702820_100011218270 [0,1,0,1,0,0|1,0,0]=3 20447 B12R1.394 COC(=O)CCCN1CC(C1)C 34a_100000702820_100000742333 [0,1,0,1,0,0|1,0,0]=3 20448 B12R1.394 COC(=O)CCCN1CC(C1)F 2230a_100000690557_100011218270 [0,1,0,1,0,0|1,0,0]=3 20449 B12R1.394 COC(=O)CCCN1CC(C1)F 269982a_100000690557_100011218270 [0,1,0,1,0,0|1,0,0]=3 20450 B12R1.394 COC(=O)CCCN1CC(C1)F 34a_100000690557_100000742333 [0,1,0,1,0,0|1,0,0]=3 20451 B12R1.394 COC(=O)CCCN1CC(C1)O 269982a_100000749847_100011218270 [0,1,0,1,0,0|1,0,0]=3 20452 B12R1.394 COC(=O)CCNC1CC(C1)F 2230a_100016993743_100000204255 [0,1,0,1,0,0|1,0,0]=3 20453 B12R1.394 COC(=O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000204255 [0,1,0,1,0,0|1,0,0]=3 20454 B12R1.394 COC(=O)CCSC1CC(=O)C1 62a_100009894365_100000204255 [0,1,0,1,0,0|1,0,1]=4 20455 B12R1.394 COC(=O)CNCC1CC(C1)O 2230a_100016992100_100000747449 [0,1,0,1,0,0|1,0,0]=3 20456 B12R1.394 COC(=O)COCC1CC(=O)C1 34a_100000101936_100000747449 [0,1,0,1,0,0|1,0,1]=4 20457 B12R1.394 COC(=O)COCC1CC(C1)Cl 34a_100009874164_100000747449 [0,1,0,1,0,0|1,0,0]=3 20458 B12R1.394 COC(=O)CSCC1CC(=O)C1 62a_100000747449_100009874392 [0,1,0,1,0,0|1,0,1]=4 20459 B12R1.394 COC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747449 [0,1,0,1,0,0|1,0,1]=4 20460 B12R1.534 CCC(=O)CN1CCCC1(C)C 269982a_100000761399_100000747405 [0,1,0,1,0,0|2,0,0]=4 20461 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100000210414 [0,1,0,1,0,0|2,0,0]=4 20462 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100000210414 [0,1,0,1,0,0|2,0,0]=4 20463 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100000210414 [0,1,0,1,0,0|2,0,0]=4 20464 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100000210414 [0,1,0,1,0,0|2,0,0]=4 20465 B12R1.534 CNC(=O)CN1CCCC1(C)C 2230a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 20466 B12R1.534 CNC(=O)CN1CCCC1(C)C 269982a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 20467 B12R1.534 CNC(=O)CN1CCCC1(C)C 34a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 20468 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 20469 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 20470 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 20471 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 20472 B12R1.534 COC(=O)CN1CCCC1(C)C 2230a_100000761399_100000747449 [0,1,0,1,0,0|1,0,0]=3 20473 B12R1.534 COC(=O)CN1CCCC1(C)C 269982a_100000761399_100000747449 [0,1,0,1,0,0|1,0,0]=3 20474 B12R1.534 COC(=O)CN1CCCC1(C)C 34a_100000761399_100000747449 [0,1,0,1,0,0|1,0,0]=3 20475 B12R1.534 COC(=O)CN1CCSC1(C)C 2230a_100011217261_100000747449 [0,1,0,1,0,0|2,0,0]=4 20476 B12R1.534 COC(=O)CN1CCSC1(C)C 269982a_100011217261_100000747449 [0,1,0,1,0,0|2,0,0]=4 20477 B12R1.534 COC(=O)CN1CCSC1(C)C 34a_100011217261_100000747449 [0,1,0,1,0,0|2,0,0]=4 20478 B12R1.534 COC(=O)CN1COCC1(C)C 2230a_100000043020_100000747449 [0,1,0,1,0,0|2,0,0]=4 20479 B12R1.534 COC(=O)CN1COCC1(C)C 269982a_100000043020_100000747449 [0,1,0,1,0,0|2,0,0]=4 20480 B12R1.1651 C=C(C)CCN1CC1C(=O)OC 2230a_200009830135_100000730704 [0,1,0,1,0,0|1,0,1]=4 20481 B12R1.1651 COC(=O)C1CN1CCC(C)C 2230a_200009830135_100000210312 [0,1,0,1,0,0|1,0,0]=3 20482 B12R1.1651 COC(=O)C1CN1CCC(C)O 2230a_200009830135_100012276601 [0,1,0,1,0,0|1,0,0]=3 20483 B12R1.1651 COC(=O)C1CN1COC(C)C 2230a_200009830135_100000709892 [0,1,0,1,0,0|2,0,0]=4 20484 B12R1.1708 C=C(C)CN1CC[C@H]1C(=O)OC 2230a_102516456887_100000748629 [0,1,0,1,0,0|1,0,1]=4 20485 B12R1.1708 C=C(C)CN1CC[C@H]1C(=O)OC 269982a_102516456887_100000748629 [0,1,0,1,0,0|1,0,1]=4 20486 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 2230a_102516456887_100000210760 [0,1,0,1,0,0|1,0,0]=3 20487 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 269982a_102516456887_100000210624 [0,1,0,1,0,0|1,0,0]=3 20488 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 270004a_102516456887_100000210432 [0,1,0,1,0,0|1,0,0]=3 20489 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)O 2230a_102516456887_100011218427 [0,1,0,1,0,0|1,0,0]=3 20490 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)O 269982a_102516456887_100011218427 [0,1,0,1,0,0|1,0,0]=3 20491 B12R1.1708 COC(=O)[C@@H]1CCN1CC(F)F 2230a_102516456887_100011934356 [0,1,0,1,0,0|2,0,0]=4 20492 B12R1.1708 COC(=O)[C@@H]1CCN1CC(F)F 269982a_102516456887_100011934356 [0,1,0,1,0,0|2,0,0]=4 20493 B12R1.1708 COC(=O)[C@@H]1CCN1C[C@@H](C)O 2230a_102516456887_100009817552 [0,1,0,1,0,0|1,0,0]=3 20494 B12R1.1708 COC(=O)[C@@H]1CCN1C[C@@H](C)O 269982a_102516456887_100009817552 [0,1,0,1,0,0|1,0,0]=3 20495 B12R1.1848 CCC(=O)COCC1CC1(C)C 7a_100000728257_100000747405 [0,1,0,1,0,0|2,0,0]=4 20496 B12R1.1848 CNC(=O)COCC1CC1(C)C 34a_100000728257_100000183359 [0,1,0,1,0,0|2,0,0]=4 20497 B12R1.1848 CNC(=O)COCC1CC1(C)C 7a_100000728257_100000183359 [0,1,0,1,0,0|2,0,0]=4 20498 B12R1.1848 COC(=O)CCNC1CC1(F)F 2230a_100020610826_100000204255 [0,1,0,1,0,0|2,0,0]=4 20499 B12R1.1848 COC(=O)CCNC1CC1(F)F 34a_100020610826_100000742370 [0,1,0,1,0,0|2,0,0]=4 20500 B12R1.1848 COC(=O)COCC1CC1(C)C 34a_100000728257_100000747449 [0,1,0,1,0,0|1,0,0]=3 20501 B12R1.1848 COC(=O)COCC1CC1(C)C 7a_100000728257_100000747449 [0,1,0,1,0,0|1,0,0]=3 20502 B12R1.1848 COC(=O)COCC1CC1(F)F 34a_100000056500_100000747449 [0,1,0,1,0,0|2,0,0]=4 20503 B12R1.1848 COC(=O)COCC1CC1(F)F 7a_100000056500_100000747449 [0,1,0,1,0,0|2,0,0]=4 20504 B12R1.1848 COC(=O)COCC1OC1(C)C 34a_200010283642_100000747449 [0,1,0,1,0,0|2,0,0]=4 20505 B12R1.1848 COC(=O)COCC1OC1(C)C 7a_200010283642_100000747449 [0,1,0,1,0,0|2,0,0]=4 20506 B12R1.1848 COC(=O)CSCC1CC1(F)F 62a_100000747449_100009817841 [0,1,0,1,0,0|2,0,0]=4 20507 B12R1.1848 COC(=O)CSCC1CC1(F)F 62a_100009817841_100000747449 [0,1,0,1,0,0|2,0,0]=4 20508 B12R1.34 CC(C(=O)CF)C1CCCCC1 1458a_100011435303_100015361967 [0,1,0,1,0,0|2,0,0]=4 20509 B12R1.34 CCC(=O)C(C)C1CCCCC1 1458a_100011435303_100000210202 [0,1,0,1,0,0|1,0,0]=3 20510 B12R1.34 CCC(=O)C(O)C1CCCCC1 1458a_100000242593_100000210202 [0,1,0,1,0,0|1,0,0]=3 20511 B12R1.34 CCC(=O)N(C)C1CCCCC1 11a_100000207522_100000210414 [0,1,0,1,0,0|2,0,0]=4 20512 B12R1.34 CCC(=O)N(C)C1CCCCC1 1626a_100000207522_100000210414 [0,1,0,1,0,0|2,0,0]=4 20513 B12R1.34 CCC(=O)N(C)C1CCCCC1 240690a_100000207522_100000210414 [0,1,0,1,0,0|2,0,0]=4 20514 B12R1.34 CCC(=O)N(C)C1CCCCC1 527a_100000207522_100000210414 [0,1,0,1,0,0|2,0,0]=4 20515 B12R1.34 CNC(=O)C(=O)C1CCCCC1 1458a_100011218921_100000210327 [0,1,0,1,0,0|1,0,1]=4 20516 B12R1.34 CNC(=O)C(C)C1CCCCC1 11a_106832991635_100011435303 [0,1,0,1,0,0|1,0,0]=3 20517 B12R1.34 CNC(=O)C(C)C1CCCCC1 1626a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 20518 B12R1.34 CNC(=O)C(C)C1CCCCC1 240690a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 20519 B12R1.34 CNC(=O)C(C)C1CCCCC1 527a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 20520 B12R1.34 CNC(=O)C(O)C1CCCCC1 240690a_100102657272_100000242593 [0,1,0,1,0,0|1,0,0]=3 20521 B12R1.34 CNC(=O)N(C)C1CCCCC1 2708a_100102657272_100000207522 [0,1,0,1,0,0|2,0,0]=4 20522 B12R1.34 CNC(=O)N(C)C1CCCCC1 273464a_100102657272_100000207522 [0,1,0,1,0,0|2,0,0]=4 20523 B12R1.34 COC(=O)C(C)N1CCCOC1 2230a_100000131196_100000211248 [0,1,0,1,0,0|2,0,0]=4 20524 B12R1.34 COC(=O)C(C)N1CCCOC1 269982a_100000131196_100000211248 [0,1,0,1,0,0|2,0,0]=4 20525 B12R1.34 COC(=O)C(C)N1CCCOC1 34a_100000131196_100000211248 [0,1,0,1,0,0|2,0,0]=4 20526 B12R1.34 COC(=O)C(C)N1CCOCC1 2230a_100015191051_100000211248 [0,1,0,1,0,0|2,0,0]=4 20527 B12R1.34 COC(=O)C(C)N1CCOCC1 269982a_100015191051_100000211248 [0,1,0,1,0,0|2,0,0]=4 20528 B12R1.34 COC(=O)C(C)N1CCOCC1 34a_100015191051_100000211248 [0,1,0,1,0,0|2,0,0]=4 20529 B12R1.34 COC(=O)C(C)N1CCSCC1 2230a_100000737611_100000211248 [0,1,0,1,0,0|2,0,0]=4 20530 B12R1.34 COC(=O)C(C)N1CCSCC1 269982a_100000737611_100000211248 [0,1,0,1,0,0|2,0,0]=4 20531 B12R1.34 O=C(CF)C(O)C1CCCCC1 1458a_100000242593_100015361967 [0,1,0,1,0,0|2,0,0]=4 20532 B12R1.84 CCN1CCC[C@@]1(C)C(=O)OC 2230a_100000719487_100000210202 [0,1,0,1,0,0|1,0,0]=3 20533 B12R1.84 CCN1CCC[C@@]1(C)C(=O)OC 269982a_100000719487_100000204670 [0,1,0,1,0,0|1,0,0]=3 20534 B12R1.84 CCN1CCC[C@@]1(C)C(=O)OC 34a_100000719487_100000210202 [0,1,0,1,0,0|1,0,0]=3 20535 B12R1.84 COC(=O)[C@@]1(CCCN1CF)C 269982a_100000719487_100015361967 [0,1,0,1,0,0|2,0,0]=4 20536 B12R1.84 COC(=O)[C@@]1(CCCN1CF)C 34a_100000719487_100015361967 [0,1,0,1,0,0|2,0,0]=4 20537 B12R1.108 CCC(=O)C(C)NC1CCCC1 2230a_100000211070_100000742827 [0,1,0,1,0,0|2,0,0]=4 20538 B12R1.108 CCC(=O)C(C)OC1CCCC1 7a_100000210269_100000742827 [0,1,0,1,0,0|2,0,0]=4 20539 B12R1.108 CCC(=O)C(C)SC1CCCC1 62a_100000742827_100000179811 [0,1,0,1,0,0|2,0,0]=4 20540 B12R1.108 CCC(=O)C(C)SC1CCCC1 62a_100011217020_100000742827 [0,1,0,1,0,0|2,0,0]=4 20541 B12R1.108 CNC(=O)C(=O)CC1CCCC1 1458a_100011218921_100000740388 [0,1,0,1,0,0|1,0,1]=4 20542 B12R1.108 CNC(=O)C(C)NC1CCCC1 2230a_100000211070_100000731044 [0,1,0,1,0,0|2,0,0]=4 20543 B12R1.108 CNC(=O)C(C)NC1CCCC1 34a_100000211070_100000731044 [0,1,0,1,0,0|2,0,0]=4 20544 B12R1.108 CNC(=O)C(C)OC1CCCC1 34a_100000210269_100000731044 [0,1,0,1,0,0|2,0,0]=4 20545 B12R1.108 CNC(=O)C(C)OC1CCCC1 7a_100000210269_100000209862 [0,1,0,1,0,0|2,0,0]=4 20546 B12R1.108 CNC(=O)C(C)SC1CCCC1 62a_100000209862_100000179811 [0,1,0,1,0,0|2,0,0]=4 20547 B12R1.108 CNC(=O)C(C)SC1CCCC1 62a_100011217020_100000731044 [0,1,0,1,0,0|2,0,0]=4 20548 B12R1.108 CNC(=O)C(F)NC1CCCC1 2230a_100000211070_100009813575 [0,1,0,1,0,0|2,0,0]=4 20549 B12R1.108 CNC(=O)C(F)NC1CCCC1 34a_100000211070_100009813575 [0,1,0,1,0,0|2,0,0]=4 20550 B12R1.108 CNC(=O)C(F)OC1CCCC1 34a_100000210269_100009813575 [0,1,0,1,0,0|2,0,0]=4 20551 B12R1.108 CNC(=O)C(F)OC1CCCC1 7a_100000210269_100009813575 [0,1,0,1,0,0|2,0,0]=4 20552 B12R1.108 CNC(=O)C(F)SC1CCCC1 62a_100009813575_100000179811 [0,1,0,1,0,0|2,0,0]=4 20553 B12R1.108 CNC(=O)C(F)SC1CCCC1 62a_100011217020_100009813575 [0,1,0,1,0,0|2,0,0]=4 20554 B12R1.108 CNC(=O)[C@@H](C)NC1CCCC1 2230a_100000684985_100000179811 [0,1,0,1,0,0|2,0,0]=4 20555 B12R1.108 CNC(=O)[C@@H](C)NC1CCCC1 34a_100000684985_100000179811 [0,1,0,1,0,0|2,0,0]=4 20556 B12R1.108 COC(=O)C(=O)NC1CCCC1 11a_100000211070_100000024059 [0,1,0,1,0,0|1,0,1]=4 20557 B12R1.108 COC(=O)C(=O)NC1CCCC1 1626a_100000211070_100000024059 [0,1,0,1,0,0|1,0,1]=4 20558 B12R1.108 COC(=O)C(=O)NC1CCCC1 240690a_100000211070_100000024059 [0,1,0,1,0,0|1,0,1]=4 20559 B12R1.108 COC(=O)C(=O)NC1CCCC1 527a_100000211070_100000024059 [0,1,0,1,0,0|1,0,1]=4 20560 B12R1.108 COC(=O)C(C)CN1CCCC1 269982a_100000188435_100000698445 [0,1,0,1,0,0|1,0,0]=3 20561 B12R1.108 COC(=O)C(C)CN1CCSC1 269982a_100011215254_100000698445 [0,1,0,1,0,0|2,0,0]=4 20562 B12R1.108 COC(=O)C(C)NC1CCCC1 2230a_100000211070_100000211248 [0,1,0,1,0,0|1,0,0]=3 20563 B12R1.108 COC(=O)C(C)NC1CCCC1 34a_100000211070_100000211248 [0,1,0,1,0,0|1,0,0]=3 20564 B12R1.108 COC(=O)C(C)N[C@@H]1CCOC1 2230a_200015188469_100000211248 [0,1,0,1,0,0|2,0,0]=4 20565 B12R1.108 COC(=O)C(C)N[C@H]1CCOC1 2230a_100015188467_100000211248 [0,1,0,1,0,0|2,0,0]=4 20566 B12R1.108 COC(=O)C(C)N[C@H]1CCOC1 34a_100015188467_100000211248 [0,1,0,1,0,0|2,0,0]=4 20567 B12R1.108 COC(=O)C(C)OC1CCCC1 34a_100000210269_100000211248 [0,1,0,1,0,0|1,0,0]=3 20568 B12R1.108 COC(=O)C(C)OC1CCCC1 34a_100011215400_100000179811 [0,1,0,1,0,0|1,0,0]=3 20569 B12R1.108 COC(=O)C(C)OC1CCCC1 7a_100000210269_100000211248 [0,1,0,1,0,0|1,0,0]=3 20570 B12R1.108 COC(=O)C(C)OC1CCCO1 34a_100000085407_100000211248 [0,1,0,1,0,0|2,0,0]=4 20571 B12R1.108 COC(=O)C(C)OC1CCOC1 34a_100011215400_100000690089 [0,1,0,1,0,0|2,0,0]=4 20572 B12R1.108 COC(=O)C(C)OC1CCSC1 7a_100011232664_100000211248 [0,1,0,1,0,0|2,0,0]=4 20573 B12R1.108 COC(=O)C(C)O[C@H]1CCOC1 34a_100000717292_100000211248 [0,1,0,1,0,0|2,0,0]=4 20574 B12R1.108 COC(=O)C(C)SC1CCCC1 62a_100000211248_100000179811 [0,1,0,1,0,0|1,0,0]=3 20575 B12R1.108 COC(=O)C(C)SC1CCCC1 62a_100011217020_100000211248 [0,1,0,1,0,0|1,0,0]=3 20576 B12R1.108 COC(=O)C(C)SC1CCOC1 62a_100000211248_100000690089 [0,1,0,1,0,0|2,0,0]=4 20577 B12R1.179 CCCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 20578 B12R1.179 CCCN1CCC(C1)C(=O)NC 269982a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 20579 B12R1.179 CCCN1CCC(C1)C(=O)NC 34a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 20580 B12R1.179 CCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210303 [0,1,0,1,0,0|1,0,0]=3 20581 B12R1.179 CCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000210303 [0,1,0,1,0,0|1,0,0]=3 20582 B12R1.179 CCOC1CCC(C1)C(=O)OC 34a_100010257243_100000210202 [0,1,0,1,0,0|1,0,0]=3 20583 B12R1.179 CCOC1CCC(C1)C(=O)OC 7a_100010257243_100000210202 [0,1,0,1,0,0|1,0,0]=3 20584 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 2230a_106832991635_200159312670 [0,1,0,1,0,0|1,0,0]=3 20585 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 34a_100102657272_200159312670 [0,1,0,1,0,0|1,0,0]=3 20586 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 7a_106832991635_200159312670 [0,1,0,1,0,0|1,0,0]=3 20587 B12R1.179 COC(=O)C1CCC(C1)OCF 34a_100010257243_100015361967 [0,1,0,1,0,0|2,0,0]=4 20588 B12R1.179 COC(=O)C1CCC(C1)OCF 7a_100010257243_100015361967 [0,1,0,1,0,0|2,0,0]=4 20589 B12R1.179 COC(=O)[C@@H]1CCN(C1)CCF 2230a_100016989057_100011217306 [0,1,0,1,0,0|2,0,0]=4 20590 B12R1.179 COC(=O)[C@@H]1CCN(C1)CCF 269982a_100016989057_100011217306 [0,1,0,1,0,0|2,0,0]=4 20591 B12R1.179 COC(=O)[C@@H]1CCN(C1)CCO 2230a_100016989057_100000211926 [0,1,0,1,0,0|2,0,0]=4 20592 B12R1.179 COC(=O)[C@@H]1CCN(C1)CCO 269982a_100016989057_100000211926 [0,1,0,1,0,0|2,0,0]=4 20593 B12R1.179 COC(=O)[C@@H]1CCN(C1)CSC 2230a_100016989057_100011218213 [0,1,0,1,0,0|2,0,0]=4 20594 B12R1.179 COC(=O)[C@@H]1CCN(C1)CSC 269982a_100016989057_100011218213 [0,1,0,1,0,0|2,0,0]=4 20595 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CO[13CH3] 34a_100015302752_200025704644 [0,1,0,1,0,0|1,0,0]=3 20596 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CO[13CH3] 7a_100015302752_200025704644 [0,1,0,1,0,0|1,0,0]=3 20597 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CSC 62a_200000210301_200159312670 [0,1,0,1,0,0|1,0,0]=3 20598 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CSC 62a_200159312670_200000210301 [0,1,0,1,0,0|1,0,0]=3 20599 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CS[13CH3] 62a_200025704644_200159312670 [0,1,0,1,0,0|1,0,0]=3 20600 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CS[13CH3] 62a_200159312670_200025704644 [0,1,0,1,0,0|1,0,0]=3 20601 B12R1.179 COCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000766300 [0,1,0,1,0,0|2,0,0]=4 20602 B12R1.179 COCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000766300 [0,1,0,1,0,0|2,0,0]=4 20603 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 34a_100015302752_200000210301 [0,1,0,1,0,0|1,0,0]=3 20604 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 34a_100138415774_200159312670 [0,1,0,1,0,0|1,0,0]=3 20605 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 7a_100015302752_200000210301 [0,1,0,1,0,0|1,0,0]=3 20606 B12R1.468 CCC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000742827 [0,1,0,1,0,0|2,0,0]=4 20607 B12R1.468 CCC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000742827 [0,1,0,1,0,0|2,0,0]=4 20608 B12R1.468 CCC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000742827 [0,1,0,1,0,0|2,0,0]=4 20609 B12R1.468 CCC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000742827 [0,1,0,1,0,0|2,0,0]=4 20610 B12R1.468 CNC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000731044 [0,1,0,1,0,0|2,0,0]=4 20611 B12R1.468 CNC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000209862 [0,1,0,1,0,0|2,0,0]=4 20612 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000731044 [0,1,0,1,0,0|2,0,0]=4 20613 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000209862 [0,1,0,1,0,0|2,0,0]=4 20614 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100000731044 [0,1,0,1,0,0|2,0,0]=4 20615 B12R1.468 CNC(=O)C(F)N1CCC[C@@H]1C 2230a_100020605311_100009813575 [0,1,0,1,0,0|2,0,0]=4 20616 B12R1.468 CNC(=O)C(F)N1CCC[C@@H]1C 269982a_100020605311_100009813575 [0,1,0,1,0,0|2,0,0]=4 20617 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 2230a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 20618 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 269982a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 20619 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 34a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 20620 B12R1.468 COC(=O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000024059 [0,1,0,1,0,0|1,0,1]=4 20621 B12R1.468 COC(=O)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000024059 [0,1,0,1,0,0|1,0,1]=4 20622 B12R1.468 COC(=O)C(=O)N1CCC[C@H]1C 11a_100015189458_100000024059 [0,1,0,1,0,0|1,0,1]=4 20623 B12R1.468 COC(=O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000024059 [0,1,0,1,0,0|1,0,1]=4 20624 B12R1.468 COC(=O)C(=O)N1CCC[C@H]1C 527a_100015189458_100000024059 [0,1,0,1,0,0|1,0,1]=4 20625 B12R1.468 COC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000211248 [0,1,0,1,0,0|1,0,0]=3 20626 B12R1.468 COC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000211248 [0,1,0,1,0,0|1,0,0]=3 20627 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000211248 [0,1,0,1,0,0|1,0,0]=3 20628 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000211248 [0,1,0,1,0,0|1,0,0]=3 20629 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100000211248 [0,1,0,1,0,0|1,0,0]=3 20630 B12R1.468 COC(=O)C(C)N1CCSC1C 2230a_200011216479_100000211248 [0,1,0,1,0,0|2,0,0]=4 20631 B12R1.468 COC(=O)C(C)N1CCSC1C 269982a_200011216479_100000211248 [0,1,0,1,0,0|2,0,0]=4 20632 B12R1.468 COC(=O)C(C)N1CCSC1C 34a_200011216479_100000211248 [0,1,0,1,0,0|2,0,0]=4 20633 B12R1.470 C=C(CNC1CCC1)C(=O)OC 34a_100000749019_100009813391 [0,1,0,1,0,0|1,0,1]=4 20634 B12R1.470 C=C(COC1CCC1)C(=O)OC 34a_100000748187_100009813391 [0,1,0,1,0,0|1,0,1]=4 20635 B12R1.470 C=C(CSC1CCC1)C(=O)OC 62a_100009813391_100000749161 [0,1,0,1,0,0|1,0,1]=4 20636 B12R1.470 CCC(=O)C(C)NCC1CCC1 2230a_100000738700_100000742827 [0,1,0,1,0,0|2,0,0]=4 20637 B12R1.470 CCC(=O)C(C)SCC1CCC1 62a_100000742827_100000763275 [0,1,0,1,0,0|2,0,0]=4 20638 B12R1.470 CCC(=O)C(C)SCC1CCC1 62a_100000763275_100000742827 [0,1,0,1,0,0|2,0,0]=4 20639 B12R1.470 CNC(=O)C(C)CNC1CCC1 270004a_100015187722_100000241760 [0,1,0,1,0,0|2,0,0]=4 20640 B12R1.470 CNC(=O)C(C)CNC1CCC1 34a_100015187722_100000749161 [0,1,0,1,0,0|2,0,0]=4 20641 B12R1.470 CNC(=O)C(C)NCC1CCC1 2230a_100000738700_100000731044 [0,1,0,1,0,0|2,0,0]=4 20642 B12R1.470 CNC(=O)C(C)NCC1CCC1 34a_100000738700_100000731044 [0,1,0,1,0,0|2,0,0]=4 20643 B12R1.470 CNC(=O)C(C)OCC1CCC1 34a_100000760304_100000731044 [0,1,0,1,0,0|2,0,0]=4 20644 B12R1.470 CNC(=O)C(C)SCC1CCC1 62a_100000209862_100000763275 [0,1,0,1,0,0|2,0,0]=4 20645 B12R1.470 CNC(=O)C(C)SCC1CCC1 62a_100000763275_100000731044 [0,1,0,1,0,0|2,0,0]=4 20646 B12R1.470 CNC(=O)C(F)NCC1CCC1 2230a_100000738700_100009813575 [0,1,0,1,0,0|2,0,0]=4 20647 B12R1.470 CNC(=O)C(F)NCC1CCC1 34a_100000738700_100009813575 [0,1,0,1,0,0|2,0,0]=4 20648 B12R1.470 CNC(=O)C(F)OCC1CCC1 34a_100000760304_100009813575 [0,1,0,1,0,0|2,0,0]=4 20649 B12R1.470 CNC(=O)C(F)SCC1CCC1 62a_100000763275_100009813575 [0,1,0,1,0,0|2,0,0]=4 20650 B12R1.470 CNC(=O)C(F)SCC1CCC1 62a_100009813575_100000763275 [0,1,0,1,0,0|2,0,0]=4 20651 B12R1.470 CNC(=O)[C@@H](C)NCC1CCC1 2230a_100000684985_100000763275 [0,1,0,1,0,0|2,0,0]=4 20652 B12R1.470 CNC(=O)[C@@H](C)NCC1CCC1 34a_100000684985_100000763275 [0,1,0,1,0,0|2,0,0]=4 20653 B12R1.470 COC(=O)C(=O)CNC1CCC1 34a_100000749019_100011610305 [0,1,0,1,0,0|1,0,1]=4 20654 B12R1.470 COC(=O)C(=O)COC1CCC1 34a_100000748187_100011610305 [0,1,0,1,0,0|1,0,1]=4 20655 B12R1.470 COC(=O)C(=O)CSC1CCC1 62a_100011610305_100000749161 [0,1,0,1,0,0|1,0,1]=4 20656 B12R1.470 COC(=O)C(=O)NCC1CCC1 11a_100000738700_100000024059 [0,1,0,1,0,0|1,0,1]=4 20657 B12R1.470 COC(=O)C(=O)NCC1CCC1 1626a_100000738700_100000024059 [0,1,0,1,0,0|1,0,1]=4 20658 B12R1.470 COC(=O)C(=O)NCC1CCC1 240690a_100000738700_100000024059 [0,1,0,1,0,0|1,0,1]=4 20659 B12R1.470 COC(=O)C(=O)NCC1CCC1 527a_100000738700_100000024059 [0,1,0,1,0,0|1,0,1]=4 20660 B12R1.470 COC(=O)C(C)CCN1CCC1 269982a_100000754969_100000034942 [0,1,0,1,0,0|1,0,0]=3 20661 B12R1.470 COC(=O)C(C)CNC1CCC1 34a_100000749019_100000698445 [0,1,0,1,0,0|1,0,0]=3 20662 B12R1.470 COC(=O)C(C)COC1CCC1 34a_100000748187_100000698445 [0,1,0,1,0,0|1,0,0]=3 20663 B12R1.470 COC(=O)C(C)COC1CCC1 34a_100000749362_100000749161 [0,1,0,1,0,0|1,0,0]=3 20664 B12R1.470 COC(=O)C(C)COC1COC1 34a_100000749362_100009818527 [0,1,0,1,0,0|2,0,0]=4 20665 B12R1.470 COC(=O)C(C)COC1COC1 7a_100000749362_100009818527 [0,1,0,1,0,0|2,0,0]=4 20666 B12R1.470 COC(=O)C(C)CSC1CCC1 62a_100000698445_100000749161 [0,1,0,1,0,0|1,0,0]=3 20667 B12R1.470 COC(=O)C(C)CSC1COC1 62a_100000698445_100009818527 [0,1,0,1,0,0|2,0,0]=4 20668 B12R1.470 COC(=O)C(C)NCC1CCC1 2230a_100000738700_100000211248 [0,1,0,1,0,0|1,0,0]=3 20669 B12R1.470 COC(=O)C(C)NCC1CCC1 34a_100000738700_100000211248 [0,1,0,1,0,0|1,0,0]=3 20670 B12R1.470 COC(=O)C(C)NCC1COC1 2230a_100015281925_100000211248 [0,1,0,1,0,0|2,0,0]=4 20671 B12R1.470 COC(=O)C(C)NCC1COC1 34a_100015281925_100000211248 [0,1,0,1,0,0|2,0,0]=4 20672 B12R1.470 COC(=O)C(C)NC[C@@H]1CCO1 2230a_100020831831_100000211248 [0,1,0,1,0,0|2,0,0]=4 20673 B12R1.470 COC(=O)C(C)NC[C@@H]1CCO1 34a_100020831831_100000211248 [0,1,0,1,0,0|2,0,0]=4 20674 B12R1.470 COC(=O)C(C)OCC1CCC1 34a_100000760304_100000211248 [0,1,0,1,0,0|1,0,0]=3 20675 B12R1.470 COC(=O)C(C)OCC1CCC1 34a_100011215400_100000763275 [0,1,0,1,0,0|1,0,0]=3 20676 B12R1.470 COC(=O)C(C)OCC1CCO1 34a_100000039022_100000211248 [0,1,0,1,0,0|2,0,0]=4 20677 B12R1.470 COC(=O)C(C)OCC1CCO1 34a_100011215400_100000103362 [0,1,0,1,0,0|2,0,0]=4 20678 B12R1.470 COC(=O)C(C)OCC1CNC1 34a_100016987283_100000211248 [0,1,0,1,0,0|2,0,0]=4 20679 B12R1.470 COC(=O)C(C)OCC1COC1 34a_100000060846_100000211248 [0,1,0,1,0,0|2,0,0]=4 20680 B12R1.470 COC(=O)C(C)OCC1COC1 34a_100011215400_100010264016 [0,1,0,1,0,0|2,0,0]=4 20681 B12R1.470 COC(=O)C(C)SCC1CCC1 62a_100000211248_100000763275 [0,1,0,1,0,0|1,0,0]=3 20682 B12R1.470 COC(=O)C(C)SCC1CCC1 62a_100000763275_100000211248 [0,1,0,1,0,0|1,0,0]=3 20683 B12R1.470 COC(=O)C(C)SCC1CCO1 62a_100000103362_100000211248 [0,1,0,1,0,0|2,0,0]=4 20684 B12R1.470 COC(=O)C(C)SCC1CCO1 62a_100000211248_100000103362 [0,1,0,1,0,0|2,0,0]=4 20685 B12R1.470 COC(=O)C(C)SCC1COC1 62a_100000211248_100010264016 [0,1,0,1,0,0|2,0,0]=4 20686 B12R1.470 COC(=O)C(C)SCC1COC1 62a_100010264016_100000211248 [0,1,0,1,0,0|2,0,0]=4 20687 B12R1.470 COC(=O)C(F)COC1CCC1 34a_200009849844_100000749161 [0,1,0,1,0,0|1,0,0]=3 20688 B12R1.470 COC(=O)C(F)COC1COC1 34a_200009849844_100009818527 [0,1,0,1,0,0|2,0,0]=4 20689 B12R1.470 COC(=O)[C@H](N)COC1CCC1 34a_100000003586_100000749161 [0,1,0,1,0,0|1,0,0]=3 20690 B12R1.470 COC(=O)[C@H](N)COC1COC1 34a_100000003586_100009818527 [0,1,0,1,0,0|2,0,0]=4 20691 B12R1.471 C=C(CNCC1CC1)C(=O)OC 34a_100000735609_100009813391 [0,1,0,1,0,0|1,0,1]=4 20692 B12R1.471 C=C(COCC1CC1)C(=O)OC 34a_100000211283_100009813391 [0,1,0,1,0,0|1,0,1]=4 20693 B12R1.471 C=C(CSCC1CC1)C(=O)OC 62a_100000756562_100009813391 [0,1,0,1,0,0|1,0,1]=4 20694 B12R1.471 C=C(CSCC1CC1)C(=O)OC 62a_100009813391_100000742324 [0,1,0,1,0,0|1,0,1]=4 20695 B12R1.471 CCC(=O)C(C)OCCC1CC1 7a_100000754188_100000742827 [0,1,0,1,0,0|2,0,0]=4 20696 B12R1.471 CCC(=O)C(C)SCCC1CC1 62a_100000742827_100000764125 [0,1,0,1,0,0|2,0,0]=4 20697 B12R1.471 CCC(=O)C(C)SCCC1CC1 62a_100000764125_100000742827 [0,1,0,1,0,0|2,0,0]=4 20698 B12R1.471 CNC(=O)C(C)CNCC1CC1 2230a_100015187722_100000742324 [0,1,0,1,0,0|2,0,0]=4 20699 B12R1.471 CNC(=O)C(C)CNCC1CC1 269862a_100015187722_100000741477 [0,1,0,1,0,0|2,0,0]=4 20700 B12R1.471 CNC(=O)C(C)CNCC1CC1 34a_100015187722_100000742324 [0,1,0,1,0,0|2,0,0]=4 20701 B12R1.471 CNC(=O)C(C)NCCC1CC1 34a_100000764129_100000731044 [0,1,0,1,0,0|2,0,0]=4 20702 B12R1.471 CNC(=O)C(C)OCCC1CC1 34a_100000754188_100000731044 [0,1,0,1,0,0|2,0,0]=4 20703 B12R1.471 CNC(=O)C(C)OCCC1CC1 7a_100000754188_100000209862 [0,1,0,1,0,0|2,0,0]=4 20704 B12R1.471 CNC(=O)C(C)SCCC1CC1 62a_100000209862_100000764125 [0,1,0,1,0,0|2,0,0]=4 20705 B12R1.471 CNC(=O)C(C)SCCC1CC1 62a_100000764125_100000731044 [0,1,0,1,0,0|2,0,0]=4 20706 B12R1.471 CNC(=O)C(F)NCCC1CC1 34a_100000764129_100009813575 [0,1,0,1,0,0|2,0,0]=4 20707 B12R1.471 CNC(=O)C(F)OCCC1CC1 34a_100000754188_100009813575 [0,1,0,1,0,0|2,0,0]=4 20708 B12R1.471 CNC(=O)C(F)OCCC1CC1 7a_100000754188_100009813575 [0,1,0,1,0,0|2,0,0]=4 20709 B12R1.471 CNC(=O)C(F)SCCC1CC1 62a_100000764125_100009813575 [0,1,0,1,0,0|2,0,0]=4 20710 B12R1.471 CNC(=O)C(F)SCCC1CC1 62a_100009813575_100000764125 [0,1,0,1,0,0|2,0,0]=4 20711 B12R1.471 CNC(=O)[C@@H](C)NCCC1CC1 2230a_100000684985_100000694398 [0,1,0,1,0,0|2,0,0]=4 20712 B12R1.471 CNC(=O)[C@@H](C)NCCC1CC1 34a_100000684985_100000694398 [0,1,0,1,0,0|2,0,0]=4 20713 B12R1.471 COC(=O)C(=O)CNCC1CC1 34a_100000735609_100011610305 [0,1,0,1,0,0|1,0,1]=4 20714 B12R1.471 COC(=O)C(=O)COCC1CC1 34a_100000211283_100011610305 [0,1,0,1,0,0|1,0,1]=4 20715 B12R1.471 COC(=O)C(=O)CSCC1CC1 62a_100000756562_100011610305 [0,1,0,1,0,0|1,0,1]=4 20716 B12R1.471 COC(=O)C(=O)CSCC1CC1 62a_100011610305_100000742324 [0,1,0,1,0,0|1,0,1]=4 20717 B12R1.471 COC(=O)C(=O)NCCC1CC1 1626a_100000764129_100000024059 [0,1,0,1,0,0|1,0,1]=4 20718 B12R1.471 COC(=O)C(=O)NCCC1CC1 240690a_100000764129_100000024059 [0,1,0,1,0,0|1,0,1]=4 20719 B12R1.471 COC(=O)C(=O)NCCC1CC1 527a_100000764129_100000024059 [0,1,0,1,0,0|1,0,1]=4 20720 B12R1.471 COC(=O)C(C)CCNC1CC1 34a_100000212008_100000034942 [0,1,0,1,0,0|1,0,0]=3 20721 B12R1.471 COC(=O)C(C)CCSC1CC1 62a_100000034942_100000211595 [0,1,0,1,0,0|1,0,0]=3 20722 B12R1.471 COC(=O)C(C)CNCC1CC1 34a_100000735609_100000698445 [0,1,0,1,0,0|1,0,0]=3 20723 B12R1.471 COC(=O)C(C)COCC1CC1 34a_100000211283_100000698445 [0,1,0,1,0,0|1,0,0]=3 20724 B12R1.471 COC(=O)C(C)COCC1CC1 34a_100000749362_100000742324 [0,1,0,1,0,0|1,0,0]=3 20725 B12R1.471 COC(=O)C(C)COCC1CC1 7a_100000749362_100000742324 [0,1,0,1,0,0|1,0,0]=3 20726 B12R1.471 COC(=O)C(C)COCC1CO1 34a_100000749362_102125554688 [0,1,0,1,0,0|2,0,0]=4 20727 B12R1.471 COC(=O)C(C)COCC1CO1 7a_100000749362_102125554688 [0,1,0,1,0,0|2,0,0]=4 20728 B12R1.471 COC(=O)C(C)COCC1CS1 7a_100000749362_100000031435 [0,1,0,1,0,0|2,0,0]=4 20729 B12R1.471 COC(=O)C(C)COC[C@@H]1CO1 34a_100000757423_100000698445 [0,1,0,1,0,0|2,0,0]=4 20730 B12R1.471 COC(=O)C(C)COC[C@@H]1CO1 7a_100000749362_100000745022 [0,1,0,1,0,0|2,0,0]=4 20731 B12R1.471 COC(=O)C(C)CSCC1CC1 62a_100000698445_100000742324 [0,1,0,1,0,0|1,0,0]=3 20732 B12R1.471 COC(=O)C(C)CSCC1CC1 62a_100000756562_100000698445 [0,1,0,1,0,0|1,0,0]=3 20733 B12R1.471 COC(=O)C(C)CSCC1CO1 62a_100000698445_102125554688 [0,1,0,1,0,0|2,0,0]=4 20734 B12R1.471 COC(=O)C(C)CSCC1CO1 62a_102125554688_100000698445 [0,1,0,1,0,0|2,0,0]=4 20735 B12R1.471 COC(=O)C(C)CSCC1CS1 62a_100000031435_100000698445 [0,1,0,1,0,0|2,0,0]=4 20736 B12R1.471 COC(=O)C(C)CSCC1CS1 62a_100000698445_100000031435 [0,1,0,1,0,0|2,0,0]=4 20737 B12R1.471 COC(=O)C(C)CSC[C@@H]1CO1 62a_100000698445_100000745022 [0,1,0,1,0,0|2,0,0]=4 20738 B12R1.471 COC(=O)C(C)CSC[C@@H]1CO1 62a_100000745022_100000698445 [0,1,0,1,0,0|2,0,0]=4 20739 B12R1.471 COC(=O)C(C)NCCC1CC1 34a_100000764129_100000211248 [0,1,0,1,0,0|1,0,0]=3 20740 B12R1.471 COC(=O)C(C)OCCC1CC1 34a_100000754188_100000211248 [0,1,0,1,0,0|1,0,0]=3 20741 B12R1.471 COC(=O)C(C)OCCC1CC1 34a_100011215400_100000694398 [0,1,0,1,0,0|1,0,0]=3 20742 B12R1.471 COC(=O)C(C)OCCC1CC1 7a_100000754188_100000211248 [0,1,0,1,0,0|1,0,0]=3 20743 B12R1.471 COC(=O)C(C)OCCC1CO1 34a_100011215400_100000732470 [0,1,0,1,0,0|2,0,0]=4 20744 B12R1.471 COC(=O)C(C)OCC[C@@H]1CO1 34a_100009820653_100000211248 [0,1,0,1,0,0|2,0,0]=4 20745 B12R1.471 COC(=O)C(C)SCCC1CC1 62a_100000211248_100000764125 [0,1,0,1,0,0|1,0,0]=3 20746 B12R1.471 COC(=O)C(C)SCCC1CC1 62a_100000764125_100000211248 [0,1,0,1,0,0|1,0,0]=3 20747 B12R1.471 COC(=O)C(C)SCCC1CO1 62a_100000211248_100000732470 [0,1,0,1,0,0|2,0,0]=4 20748 B12R1.471 COC(=O)C(C)SCCC1CO1 62a_100000732470_100000211248 [0,1,0,1,0,0|2,0,0]=4 20749 B12R1.471 COC(=O)C(F)COCC1CC1 34a_200009849844_100000742324 [0,1,0,1,0,0|1,0,0]=3 20750 B12R1.471 COC(=O)C(F)COCC1CO1 34a_200009849844_102125554688 [0,1,0,1,0,0|2,0,0]=4 20751 B12R1.471 COC(=O)[C@H](N)COCC1CC1 34a_100000003586_100000742324 [0,1,0,1,0,0|1,0,0]=3 20752 B12R1.471 COC(=O)[C@H](N)COCC1CO1 34a_100000003586_102125554688 [0,1,0,1,0,0|2,0,0]=4 20753 B12R1.839 CCC(=O)C(C)OCC1CC1C 7a_100000744939_100000742827 [0,1,0,1,0,0|2,0,0]=4 20754 B12R1.839 CNC(=O)C(C)OCC1CC1C 34a_100000744939_100000731044 [0,1,0,1,0,0|2,0,0]=4 20755 B12R1.839 CNC(=O)C(C)OCC1CC1C 7a_100000744939_100000209862 [0,1,0,1,0,0|2,0,0]=4 20756 B12R1.839 CNC(=O)C(F)OCC1CC1C 34a_100000744939_100009813575 [0,1,0,1,0,0|2,0,0]=4 20757 B12R1.839 CNC(=O)C(F)OCC1CC1C 7a_100000744939_100009813575 [0,1,0,1,0,0|2,0,0]=4 20758 B12R1.839 COC(=O)C(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000698445 [0,1,0,1,0,0|2,0,0]=4 20759 B12R1.839 COC(=O)C(C)OCC1CC1C 34a_100000744939_100000211248 [0,1,0,1,0,0|1,0,0]=3 20760 B12R1.839 COC(=O)C(C)OCC1CC1C 7a_100000744939_100000211248 [0,1,0,1,0,0|1,0,0]=3 20761 B12R1.840 C=C(CN1CCC1C)C(=O)OC 34a_100000755817_100009813391 [0,1,0,1,0,0|1,0,1]=4 20762 B12R1.840 COC(=O)C(=O)CN1CCC1C 34a_100000755817_100011610305 [0,1,0,1,0,0|1,0,1]=4 20763 B12R1.840 COC(=O)C(C)CN1CCC1C 269982a_100000755817_100000698445 [0,1,0,1,0,0|1,0,0]=3 20764 B12R1.840 COC(=O)C(C)CN1CCC1C 34a_100000755817_100000698445 [0,1,0,1,0,0|1,0,0]=3 20765 B12R1.1729 COC(=O)C1(CCCCN1C)C 2230a_100015186357_200000210301 [0,1,0,1,0,0|1,0,0]=3 20766 B12R1.1729 COC(=O)C1(CCCCN1C)C 269982a_100015186357_200000210301 [0,1,0,1,0,0|1,0,0]=3 20767 B12R1.1729 COC(=O)C1(CCCCN1C)C 34a_100015186357_200000210301 [0,1,0,1,0,0|1,0,0]=3 20768 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 2230a_100015186357_200025704644 [0,1,0,1,0,0|1,0,0]=3 20769 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 269982a_100015186357_200025704644 [0,1,0,1,0,0|1,0,0]=3 20770 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 34a_100015186357_200025704644 [0,1,0,1,0,0|1,0,0]=3 20771 B12R1.15 CCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747405 [0,1,0,1,0,0|1,0,1]=4 20772 B12R1.15 CCC(=O)CC(C)N1CCCC1 1458a_100000210414_200015187269 [0,1,0,1,0,0|2,0,0]=4 20773 B12R1.15 CCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000210202 [0,1,0,1,0,0|2,0,0]=4 20774 B12R1.15 CCC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747405 [0,1,0,1,0,0|2,0,0]=4 20775 B12R1.15 CCC(=O)NC(C)C1CCCC1 11a_100015185923_100000210414 [0,1,0,1,0,0|2,0,0]=4 20776 B12R1.15 CCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000210414 [0,1,0,1,0,0|2,0,0]=4 20777 B12R1.15 CCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000210414 [0,1,0,1,0,0|2,0,0]=4 20778 B12R1.15 CCC(=O)NC(C)C1CCCC1 527a_100015185923_100000210414 [0,1,0,1,0,0|2,0,0]=4 20779 B12R1.15 CNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183359 [0,1,0,1,0,0|1,0,1]=4 20780 B12R1.15 CNC(=O)CN(C)C1CCCC1 2230a_100000189611_100000179811 [0,1,0,1,0,0|2,0,0]=4 20781 B12R1.15 CNC(=O)CN(C)C1CCCC1 2230a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 20782 B12R1.15 CNC(=O)CN(C)C1CCCC1 240690a_100102657272_100073796569 [0,1,0,1,0,0|2,0,0]=4 20783 B12R1.15 CNC(=O)CN(C)C1CCCC1 269982a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 20784 B12R1.15 CNC(=O)CN(C)C1CCCC1 270004a_100000189611_100000210133 [0,1,0,1,0,0|2,0,0]=4 20785 B12R1.15 CNC(=O)CN(C)C1CCCC1 34a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 20786 B12R1.15 CNC(=O)CN(C)C1CCCC1 527a_100102657272_100073796569 [0,1,0,1,0,0|2,0,0]=4 20787 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100015185923_106832991635 [0,1,0,1,0,0|2,0,0]=4 20788 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100102657272_100015185923 [0,1,0,1,0,0|2,0,0]=4 20789 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100015185923_100102657272 [0,1,0,1,0,0|2,0,0]=4 20790 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100102657272_100015185923 [0,1,0,1,0,0|2,0,0]=4 20791 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_100015185923_100102657272 [0,1,0,1,0,0|2,0,0]=4 20792 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_106832991638_100015185923 [0,1,0,1,0,0|2,0,0]=4 20793 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747449 [0,1,0,1,0,0|0,0,1]=3 20794 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000211351_100000179811 [0,1,0,1,0,0|0,0,1]=3 20795 B12R1.15 COC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000747449 [0,1,0,1,0,0|1,0,1]=4 20796 B12R1.15 COC(=O)CC(=O)C1CCOC1 1458a_100000211351_100000690089 [0,1,0,1,0,0|1,0,1]=4 20797 B12R1.15 COC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000747449 [0,1,0,1,0,0|1,0,1]=4 20798 B12R1.15 COC(=O)CC(=O)N1CCCC1 240690a_100000188435_100000211351 [0,1,0,1,0,0|1,0,1]=4 20799 B12R1.15 COC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747449 [0,1,0,1,0,0|1,0,1]=4 20800 B12R1.15 COC(=O)CC(C)N1CCCC1 2230a_100000188435_100009817358 [0,1,0,1,0,0|1,0,0]=3 20801 B12R1.15 COC(=O)CC(C)N1CCCC1 269982a_100000188435_100009817358 [0,1,0,1,0,0|1,0,0]=3 20802 B12R1.15 COC(=O)CC(C)N1CCSC1 2230a_100011215254_100009817358 [0,1,0,1,0,0|2,0,0]=4 20803 B12R1.15 COC(=O)CC(C)N1CCSC1 269982a_100011215254_100009817358 [0,1,0,1,0,0|2,0,0]=4 20804 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000198492_100000179811 [0,1,0,1,0,0|1,0,0]=3 20805 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000207505_100000747449 [0,1,0,1,0,0|1,0,0]=3 20806 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000220824_200000210301 [0,1,0,1,0,0|1,0,0]=3 20807 B12R1.15 COC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747449 [0,1,0,1,0,0|1,0,0]=3 20808 B12R1.15 COC(=O)CN(C)C1CCCC1 270004a_100000198492_100000210133 [0,1,0,1,0,0|1,0,0]=3 20809 B12R1.15 COC(=O)CN(C)C1CCCC1 34a_100000207505_100000747449 [0,1,0,1,0,0|1,0,0]=3 20810 B12R1.15 COC(=O)CN(C)C1CCCC1 34a_100000220824_200000210301 [0,1,0,1,0,0|1,0,0]=3 20811 B12R1.15 COC(=O)CN(C)C1CCOC1 2230a_100000198492_100000731011 [0,1,0,1,0,0|2,0,0]=4 20812 B12R1.15 COC(=O)CN(C)C1CCOC1 2230a_100016988252_100000747449 [0,1,0,1,0,0|2,0,0]=4 20813 B12R1.15 COC(=O)CN(C)C1CCOC1 269982a_100016988252_100000747449 [0,1,0,1,0,0|2,0,0]=4 20814 B12R1.15 COC(=O)CN(C)C1CCOC1 270004a_100000198492_100000752484 [0,1,0,1,0,0|2,0,0]=4 20815 B12R1.15 COC(=O)CN(C)C1CCOC1 34a_100016988252_100000747449 [0,1,0,1,0,0|2,0,0]=4 20816 B12R1.15 COC(=O)CN(C)C1CCSC1 270004a_100000198492_100000212027 [0,1,0,1,0,0|2,0,0]=4 20817 B12R1.15 COC(=O)CN([13CH3])C1CCCC1 2230a_100000220824_200025704644 [0,1,0,1,0,0|1,0,0]=3 20818 B12R1.15 COC(=O)CN([13CH3])C1CCCC1 34a_100000220824_200025704644 [0,1,0,1,0,0|1,0,0]=3 20819 B12R1.177 CCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210303 [0,1,0,1,0,0|1,0,0]=3 20820 B12R1.177 CCOC1CN(C1)CC(=O)OC 269982a_100000732654_100000747449 [0,1,0,1,0,0|2,0,0]=4 20821 B12R1.177 CCOC1CN(C1)CC(=O)OC 34a_100000732654_100000747449 [0,1,0,1,0,0|2,0,0]=4 20822 B12R1.177 COC(=O)CC1CN(C1)CCF 269982a_100016993681_100011217306 [0,1,0,1,0,0|2,0,0]=4 20823 B12R1.177 COC(=O)CC1CN(C1)CCO 269982a_100016993681_100000211926 [0,1,0,1,0,0|2,0,0]=4 20824 B12R1.177 COC(=O)CC1CN(C1)CSC 269982a_100016993681_100011218213 [0,1,0,1,0,0|2,0,0]=4 20825 B12R1.177 COCC1CN(C1)CC(=O)OC 2230a_100016993750_100000747449 [0,1,0,1,0,0|2,0,0]=4 20826 B12R1.177 COCC1CN(C1)CC(=O)OC 269982a_100016993750_100000747449 [0,1,0,1,0,0|2,0,0]=4 20827 B12R1.177 COCC1CN(C1)CC(=O)OC 34a_100016993750_100000747449 [0,1,0,1,0,0|2,0,0]=4 20828 B12R1.177 COCN1CC(C1)CC(=O)OC 269982a_100016993681_100000766300 [0,1,0,1,0,0|2,0,0]=4 20829 B12R1.303 COC(=O)CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009817358 [0,1,0,1,0,0|2,0,0]=4 20830 B12R1.303 COC(=O)CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100009817358 [0,1,0,1,0,0|2,0,0]=4 20831 B12R1.303 COC(=O)CC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100009817358 [0,1,0,1,0,0|2,0,0]=4 20832 B12R1.304 CCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747405 [0,1,0,1,0,0|1,0,1]=4 20833 B12R1.304 CCC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747405 [0,1,0,1,0,0|2,0,0]=4 20834 B12R1.304 CNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183359 [0,1,0,1,0,0|1,0,1]=4 20835 B12R1.304 CNC(=O)CN(C)CC1CCC1 2230a_100000189611_100000763275 [0,1,0,1,0,0|2,0,0]=4 20836 B12R1.304 CNC(=O)CN(C)CC1CCC1 2230a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 20837 B12R1.304 CNC(=O)CN(C)CC1CCC1 269982a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 20838 B12R1.304 CNC(=O)CN(C)CC1CCC1 34a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 20839 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000211351_100000763275 [0,1,0,1,0,0|0,0,1]=3 20840 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747449 [0,1,0,1,0,0|0,0,1]=3 20841 B12R1.304 COC(=O)CC(=O)CC1CCO1 1458a_100000211351_100000103362 [0,1,0,1,0,0|1,0,1]=4 20842 B12R1.304 COC(=O)CC(=O)CC1COC1 1458a_100000211351_100010264016 [0,1,0,1,0,0|1,0,1]=4 20843 B12R1.304 COC(=O)CC(=O)CC1COC1 1458a_100000687760_100000747449 [0,1,0,1,0,0|1,0,1]=4 20844 B12R1.304 COC(=O)CC(=O)NC1CCC1 240690a_100000749019_100000211351 [0,1,0,1,0,0|1,0,1]=4 20845 B12R1.304 COC(=O)CC(C)NC1CCC1 2230a_100000749019_100009817358 [0,1,0,1,0,0|1,0,0]=3 20846 B12R1.304 COC(=O)CC(C)NC1CCC1 34a_100000749019_100009817358 [0,1,0,1,0,0|1,0,0]=3 20847 B12R1.304 COC(=O)CC(C)NC1COC1 2230a_100016991112_100009817358 [0,1,0,1,0,0|2,0,0]=4 20848 B12R1.304 COC(=O)CC(C)OC1CCC1 34a_100000748187_100009817358 [0,1,0,1,0,0|1,0,0]=3 20849 B12R1.304 COC(=O)CC(C)OC1CSC1 7a_100000072292_100009817358 [0,1,0,1,0,0|2,0,0]=4 20850 B12R1.304 COC(=O)CC(C)SC1CCC1 62a_100009817358_100000749161 [0,1,0,1,0,0|1,0,0]=3 20851 B12R1.304 COC(=O)CC(C)SC1COC1 62a_100009817358_100009818527 [0,1,0,1,0,0|2,0,0]=4 20852 B12R1.304 COC(=O)CN(C)CC1CCC1 2230a_100000198492_100000763275 [0,1,0,1,0,0|1,0,0]=3 20853 B12R1.304 COC(=O)CN(C)CC1CCC1 2230a_200000750244_100000747449 [0,1,0,1,0,0|1,0,0]=3 20854 B12R1.304 COC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747449 [0,1,0,1,0,0|1,0,0]=3 20855 B12R1.304 COC(=O)CN(C)CC1CCC1 34a_200000750244_100000747449 [0,1,0,1,0,0|1,0,0]=3 20856 B12R1.304 COC(=O)CN(C)CC1CCO1 2230a_100000198492_100000103362 [0,1,0,1,0,0|2,0,0]=4 20857 B12R1.304 COC(=O)CN(C)CC1COC1 2230a_100000198492_100010264016 [0,1,0,1,0,0|2,0,0]=4 20858 B12R1.305 CCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747405 [0,1,0,1,0,0|1,0,1]=4 20859 B12R1.305 CNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183359 [0,1,0,1,0,0|1,0,1]=4 20860 B12R1.305 CNC(=O)CN(C)CCC1CC1 2230a_100000189611_100000694398 [0,1,0,1,0,0|2,0,0]=4 20861 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000211351_100000694398 [0,1,0,1,0,0|0,0,1]=3 20862 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747449 [0,1,0,1,0,0|0,0,1]=3 20863 B12R1.305 COC(=O)CC(=O)CCC1CO1 1458a_100000211351_100000732470 [0,1,0,1,0,0|1,0,1]=4 20864 B12R1.305 COC(=O)CC(=O)CSC1CC1 62a_100000210525_100000211595 [0,1,0,1,0,0|1,0,1]=4 20865 B12R1.305 COC(=O)CC(=O)NCC1CC1 240690a_100000735609_100000211351 [0,1,0,1,0,0|1,0,1]=4 20866 B12R1.305 COC(=O)CC(C)NCC1CC1 2230a_100000735609_100009817358 [0,1,0,1,0,0|1,0,0]=3 20867 B12R1.305 COC(=O)CC(C)NCC1CC1 34a_100000735609_100009817358 [0,1,0,1,0,0|1,0,0]=3 20868 B12R1.305 COC(=O)CC(C)OCC1CC1 34a_100000211283_100009817358 [0,1,0,1,0,0|1,0,0]=3 20869 B12R1.305 COC(=O)CC(C)OC[C@@H]1CO1 34a_100000757423_100009817358 [0,1,0,1,0,0|2,0,0]=4 20870 B12R1.305 COC(=O)CC(C)SCC1CC1 62a_100000756562_100009817358 [0,1,0,1,0,0|1,0,0]=3 20871 B12R1.305 COC(=O)CC(C)SCC1CC1 62a_100009817358_100000742324 [0,1,0,1,0,0|1,0,0]=3 20872 B12R1.305 COC(=O)CC(C)SCC1CO1 62a_100009817358_102125554688 [0,1,0,1,0,0|2,0,0]=4 20873 B12R1.305 COC(=O)CC(C)SCC1CO1 62a_102125554688_100009817358 [0,1,0,1,0,0|2,0,0]=4 20874 B12R1.305 COC(=O)CC(C)SCC1CS1 62a_100000031435_100009817358 [0,1,0,1,0,0|2,0,0]=4 20875 B12R1.305 COC(=O)CC(C)SCC1CS1 62a_100009817358_100000031435 [0,1,0,1,0,0|2,0,0]=4 20876 B12R1.305 COC(=O)CC(C)SC[C@@H]1CO1 62a_100000745022_100009817358 [0,1,0,1,0,0|2,0,0]=4 20877 B12R1.305 COC(=O)CC(C)SC[C@@H]1CO1 62a_100009817358_100000745022 [0,1,0,1,0,0|2,0,0]=4 20878 B12R1.305 COC(=O)CN(C)CCC1CC1 2230a_100000198492_100000694398 [0,1,0,1,0,0|1,0,0]=3 20879 B12R1.305 COC(=O)CN(C)CCC1CO1 2230a_100000198492_100000732470 [0,1,0,1,0,0|2,0,0]=4 20880 B12R1.305 COC(=O)C[C@@H](O)CNC1CC1 34a_100000212008_100000754131 [0,1,0,1,0,0|1,0,0]=3 20881 B12R1.305 COC(=O)C[C@@H](O)CSC1CC1 62a_100000754131_100000211595 [0,1,0,1,0,0|1,0,0]=3 20882 B12R1.306 COC(=O)CC(=O)N1CCC1C 240690a_100000755817_100000211351 [0,1,0,1,0,0|1,0,1]=4 20883 B12R1.306 COC(=O)CC(C)N1CCC1C 269982a_100000755817_100009817358 [0,1,0,1,0,0|1,0,0]=3 20884 B12R1.306 COC(=O)CC(C)N1CCC1C 34a_100000755817_100009817358 [0,1,0,1,0,0|1,0,0]=3 20885 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [0,1,0,1,0,0|1,0,1]=4 20886 B12R1.485 CCCCCN(C)C1CCC1=O 269982a_100000223495_100009892977 [0,1,0,1,0,0|2,0,0]=4 20887 B12R1.1940 CCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747405 [0,1,0,1,0,0|1,0,1]=4 20888 B12R1.1940 CCC1CC1C(=O)CC(=O)NC 1458a_200011661523_100000183359 [0,1,0,1,0,0|1,0,1]=4 20889 B12R1.1940 CCC1CC1C(=O)CC(=O)OC 1458a_200011661523_100000747449 [0,1,0,1,0,0|0,0,1]=3 20890 B12R1.3441 CCC(=O)N1C(CCCC1C)C 11a_100000210447_100000210414 [0,1,0,1,0,0|2,0,0]=4 20891 B12R1.3441 CCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000210414 [0,1,0,1,0,0|2,0,0]=4 20892 B12R1.3441 CNC(=O)N1C(CCCC1C)C 2708a_100102657272_100000210447 [0,1,0,1,0,0|2,0,0]=4 20893 B12R1.3441 CNC(=O)N1C(CCCC1C)C 273464a_100102657272_100000210447 [0,1,0,1,0,0|2,0,0]=4 20894 B12R1.3524 CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210202 [0,1,0,1,0,0|1,0,0]=3 20895 B12R1.3524 CCC(=O)NC1(CCCCC1)C 11a_100000741114_100000210414 [0,1,0,1,0,0|2,0,0]=4 20896 B12R1.3524 CCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000210414 [0,1,0,1,0,0|2,0,0]=4 20897 B12R1.3524 CCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000210414 [0,1,0,1,0,0|2,0,0]=4 20898 B12R1.3524 CCC(=O)NC1(CCCCC1)C 527a_100000741114_100000210414 [0,1,0,1,0,0|2,0,0]=4 20899 B12R1.3524 CNC(=O)CC1(CCCCC1)O 240690a_100102657272_100000755886 [0,1,0,1,0,0|1,0,0]=3 20900 B12R1.3524 CNC(=O)CC1(CCCCC1)O 527a_100102657272_100000755886 [0,1,0,1,0,0|1,0,0]=3 20901 B12R1.3524 CNC(=O)NC1(CCCCC1)C 2708a_100102657272_100000741114 [0,1,0,1,0,0|2,0,0]=4 20902 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100000741114_100102657272 [0,1,0,1,0,0|2,0,0]=4 20903 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100102657272_100000741114 [0,1,0,1,0,0|2,0,0]=4 20904 B12R1.3524 CNC(=O)NC1(CCCCC1)C 512a_100000741114_100102657272 [0,1,0,1,0,0|2,0,0]=4 20905 B12R1.3524 O=C(CF)CC1(CCCCC1)O 1458a_100000755886_100015361967 [0,1,0,1,0,0|2,0,0]=4 20906 B12R1.16 CCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210303 [0,1,0,1,0,0|1,0,1]=4 20907 B12R1.31 CCCC(=O)CC1COC(=O)O1 1458a_100000211992_100000073702 [0,1,0,1,0,0|1,0,1]=4 20908 B12R1.31 CCCC(=O)C[C@H]1COC(=O)N1 1458a_100000211992_100015307671 [0,1,0,1,0,0|1,0,1]=4 20909 B12R1.31 CCCC(C)CN1CNC(=O)C1 2230a_200000708111_100011216630 [0,1,0,1,0,0|2,0,0]=4 20910 B12R1.31 CCCC(C)NC1CNC(=O)C1 2230a_100000697751_100000766640 [0,1,0,1,0,0|2,0,0]=4 20911 B12R1.31 CCCC(C)OC1CCC(=O)C1 34a_100012614533_100000766640 [0,1,0,1,0,0|2,0,0]=4 20912 B12R1.31 CCCC(C)OC1CNC(=O)C1 34a_100000690082_100000766640 [0,1,0,1,0,0|2,0,0]=4 20913 B12R1.31 CCCC(C)OC1COC(=O)O1 34a_100000764384_100000032252 [0,1,0,1,0,0|2,0,0]=4 20914 B12R1.31 CCCC(C)SC1COC(=O)O1 62a_100000766640_100000032252 [0,1,0,1,0,0|2,0,0]=4 20915 B12R1.31 CCCN(C)CC1COC(=O)O1 269982a_100000747261_100000073702 [0,1,0,1,0,0|2,0,0]=4 20916 B12R1.31 CCCN(C)C[C@H]1COC(=O)N1 2230a_100000747261_100015307671 [0,1,0,1,0,0|2,0,0]=4 20917 B12R1.31 CCCN(C)C[C@H]1COC(=O)N1 269982a_100000747261_100015307671 [0,1,0,1,0,0|2,0,0]=4 20918 B12R1.1562 CCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210303 [0,1,0,1,0,0|0,0,1]=3 20919 B12R1.1562 CCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000211992 [0,1,0,1,0,0|1,0,1]=4 20920 B12R1.1562 CCCC(C)N1CC1C(=O)OC 2230a_200009830135_100000766640 [0,1,0,1,0,0|1,0,0]=3 20921 B12R1.1562 CCCC(C)N1CC1C(=O)OC 270004a_200009830135_100000211909 [0,1,0,1,0,0|1,0,0]=3 20922 B12R1.1562 CCNC(=O)C1CC1C(=O)OC 11a_100015525214_100000750770 [0,1,0,1,0,0|1,0,1]=4 20923 B12R1.1562 CCNC(=O)C1CC1C(=O)OC 240690a_100015525214_100000750770 [0,1,0,1,0,0|1,0,1]=4 20924 B12R1.1562 COC(=O)C1CC1C(=O)CCF 1458a_100000750770_100011217306 [0,1,0,1,0,0|1,0,1]=4 20925 B12R1.1562 COC(=O)C1CC1C(=O)CCO 1458a_100000750770_100000211926 [0,1,0,1,0,0|1,0,1]=4 20926 B12R1.1562 COC(=O)C1CN1C(C)CCO 2230a_200009830135_100009893172 [0,1,0,1,0,0|2,0,0]=4 20927 B12R1.1562 COC(=O)C1CN1C(C)CSC 270004a_200009830135_100011216314 [0,1,0,1,0,0|2,0,0]=4 20928 B12R1.1562 COCC(C)N1CC1C(=O)OC 2230a_200009830135_100000765312 [0,1,0,1,0,0|2,0,0]=4 20929 B12R1.1562 COCC(C)N1CC1C(=O)OC 270004a_200009830135_100000749346 [0,1,0,1,0,0|2,0,0]=4 20930 B12R1.1579 CCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210303 [0,1,0,1,0,0|1,0,1]=4 20931 B12R1.1689 CNC(=O)CCCC(=O)C1CC1 1458a_100000210395_100000741757 [0,1,0,1,0,0|1,0,1]=4 20932 B12R1.1689 CNC(=O)CCCN(C)C1CC1 2230a_100000226674_100000741757 [0,1,0,1,0,0|2,0,0]=4 20933 B12R1.1689 CNC(=O)CCCN(C)C1CC1 269982a_100000226674_100000741757 [0,1,0,1,0,0|2,0,0]=4 20934 B12R1.1689 CNC(=O)CCNC(C)C1CC1 2230a_100000700016_100000737683 [0,1,0,1,0,0|2,0,0]=4 20935 B12R1.1689 CNC(=O)CCNC(C)C1CC1 269862a_100000738227_100000210639 [0,1,0,1,0,0|2,0,0]=4 20936 B12R1.1689 CNC(=O)CCNC(C)C1CC1 34a_100000700016_100012179268 [0,1,0,1,0,0|2,0,0]=4 20937 B12R1.1689 CNC(=O)CCOC(C)C1CC1 34a_100000744524_100012179268 [0,1,0,1,0,0|2,0,0]=4 20938 B12R1.1689 CNC(=O)CCOC(C)C1CC1 7a_100000744524_100000737683 [0,1,0,1,0,0|2,0,0]=4 20939 B12R1.1689 CNC(=O)CNCC(O)C1CC1 2230a_100000751198_100000183359 [0,1,0,1,0,0|2,0,0]=4 20940 B12R1.1689 CNC(=O)CNCC(O)C1CC1 34a_100000751198_100000183359 [0,1,0,1,0,0|2,0,0]=4 20941 B12R1.1689 CNC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000183359 [0,1,0,1,0,0|2,0,0]=4 20942 B12R1.1689 COC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011218270 [0,1,0,1,0,0|0,0,1]=3 20943 B12R1.1689 COC(=O)CCCC(=O)C1CO1 1458a_100000701028_100011218270 [0,1,0,1,0,0|1,0,1]=4 20944 B12R1.1689 COC(=O)CCCN(C)C1CC1 2230a_100000226674_100011218270 [0,1,0,1,0,0|1,0,0]=3 20945 B12R1.1689 COC(=O)CCCN(C)C1CC1 269982a_100000226674_100011218270 [0,1,0,1,0,0|1,0,0]=3 20946 B12R1.1689 COC(=O)CCCN(C)C1CC1 269982a_100000739225_100000211595 [0,1,0,1,0,0|1,0,0]=3 20947 B12R1.1689 COC(=O)CCNC(=O)C1CC1 188690a_100000683876_100000210395 [0,1,0,1,0,0|1,0,1]=4 20948 B12R1.1689 COC(=O)CCNC(C)C1CC1 2230a_100000700016_100000204255 [0,1,0,1,0,0|1,0,0]=3 20949 B12R1.1689 COC(=O)CCNC(C)C1CC1 34a_100000700016_100000742370 [0,1,0,1,0,0|1,0,0]=3 20950 B12R1.1689 COC(=O)CCOC(C)C1CC1 34a_100000744524_100000742370 [0,1,0,1,0,0|1,0,0]=3 20951 B12R1.1689 COC(=O)CCOC(C)C1CC1 7a_100000744524_100000204255 [0,1,0,1,0,0|1,0,0]=3 20952 B12R1.1689 COC(=O)CNCC(O)C1CC1 2230a_100000751198_100000747449 [0,1,0,1,0,0|1,0,0]=3 20953 B12R1.1689 COC(=O)CNCC(O)C1CC1 34a_100000751198_100000747449 [0,1,0,1,0,0|1,0,0]=3 20954 B12R1.1689 COC(=O)COCC(=O)C1CC1 34a_100000686663_100000747449 [0,1,0,1,0,0|1,0,1]=4 20955 B12R1.1689 COC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000747449 [0,1,0,1,0,0|1,0,0]=3 20956 B12R1.1689 COC(=O)CSCC(=O)C1CC1 62a_100000746382_100000747449 [0,1,0,1,0,0|1,0,1]=4 20957 B12R1.1689 COC(=O)CSCC(=O)C1CC1 62a_100000747449_100000746382 [0,1,0,1,0,0|1,0,1]=4 20958 B12R1.1849 CCC(=O)COCC1(CCC1)C 34a_100000725409_100000726658 [0,1,0,1,0,0|2,0,0]=4 20959 B12R1.1849 CCC(=O)CSCC1(CCC1)C 62a_100000726658_100000747405 [0,1,0,1,0,0|2,0,0]=4 20960 B12R1.1849 CCC(=O)CSCC1(CCC1)C 62a_100000747405_100000726658 [0,1,0,1,0,0|2,0,0]=4 20961 B12R1.1849 CNC(=O)CCNC1(CCC1)C 2230a_100000692455_100000737683 [0,1,0,1,0,0|2,0,0]=4 20962 B12R1.1849 CNC(=O)CCNC1(CCC1)C 34a_100000692455_100012179268 [0,1,0,1,0,0|2,0,0]=4 20963 B12R1.1849 CNC(=O)CCOC1(CCC1)C 34a_100000759064_100012179268 [0,1,0,1,0,0|2,0,0]=4 20964 B12R1.1849 CNC(=O)CCOC1(CCC1)C 7a_100000759064_100000737683 [0,1,0,1,0,0|2,0,0]=4 20965 B12R1.1849 CNC(=O)CNCC1(CCC1)C 2230a_100000693194_100000726658 [0,1,0,1,0,0|2,0,0]=4 20966 B12R1.1849 CNC(=O)CNCC1(CCC1)C 2230a_100000706607_100000183359 [0,1,0,1,0,0|2,0,0]=4 20967 B12R1.1849 CNC(=O)CNCC1(CCC1)O 2230a_100000752638_100000183359 [0,1,0,1,0,0|2,0,0]=4 20968 B12R1.1849 CNC(=O)COCC1(CCC1)C 34a_100000750040_100000726658 [0,1,0,1,0,0|2,0,0]=4 20969 B12R1.1849 CNC(=O)CSCC1(CCC1)C 62a_100000183359_100000726658 [0,1,0,1,0,0|2,0,0]=4 20970 B12R1.1849 CNC(=O)CSCC1(CCC1)C 62a_100000726658_100000183359 [0,1,0,1,0,0|2,0,0]=4 20971 B12R1.1849 COC(=O)CCNC1(CCC1)C 2230a_100000692455_100000204255 [0,1,0,1,0,0|1,0,0]=3 20972 B12R1.1849 COC(=O)CCNC1(CCC1)C 34a_100000692455_100000742370 [0,1,0,1,0,0|1,0,0]=3 20973 B12R1.1849 COC(=O)CCNC1(COC1)C 2230a_100000732644_100000204255 [0,1,0,1,0,0|2,0,0]=4 20974 B12R1.1849 COC(=O)CCOC1(CCC1)C 34a_100000759064_100000742370 [0,1,0,1,0,0|1,0,0]=3 20975 B12R1.1849 COC(=O)CCOC1(CCC1)C 7a_100000759064_100000204255 [0,1,0,1,0,0|1,0,0]=3 20976 B12R1.1849 COC(=O)CCOC1(CSC1)C 7a_100016018533_100000204255 [0,1,0,1,0,0|2,0,0]=4 20977 B12R1.1849 COC(=O)CNCC1(CCC1)C 2230a_100000706607_100000747449 [0,1,0,1,0,0|1,0,0]=3 20978 B12R1.1849 COC(=O)CNCC1(CCC1)O 2230a_100000752638_100000747449 [0,1,0,1,0,0|1,0,0]=3 20979 B12R1.1849 COC(=O)CNCC1(COC1)C 2230a_100020631278_100000747449 [0,1,0,1,0,0|2,0,0]=4 20980 B12R1.1849 COC(=O)CNCC1(COC1)O 2230a_100010264505_100000747449 [0,1,0,1,0,0|2,0,0]=4 20981 B12R1.1849 COC(=O)COCC1(CSC1)C 34a_100000732658_100000747449 [0,1,0,1,0,0|2,0,0]=4 20982 B12R1.1849 COC(=O)COCC1(CSC1)C 7a_100000732658_100000747449 [0,1,0,1,0,0|2,0,0]=4 20983 B12R1.1849 COC(=O)CSCC1(CCC1)C 62a_100000726658_100000747449 [0,1,0,1,0,0|1,0,0]=3 20984 B12R1.1849 COC(=O)CSCC1(CCC1)C 62a_100000747449_100000726658 [0,1,0,1,0,0|1,0,0]=3 20985 B12R1.1849 COC(=O)CSCC1(COC1)C 62a_100000747449_100009817586 [0,1,0,1,0,0|2,0,0]=4 20986 B12R1.1849 COC(=O)CSCC1(COC1)C 62a_100009817586_100000747449 [0,1,0,1,0,0|2,0,0]=4 20987 B12R2.294 O=C1CCC(CC1)OC2CC2 34a_100000764474_100000211595 [0,0,0,2,0,0|2,0,0]=4 20988 B12R2.294 O=C1CCC(CN1)NC2CC2 34a_100000748762_100000211595 [0,0,0,2,0,0|2,0,0]=4 20989 B12R2.294 O=C1CCC(CN1)OC2CC2 34a_100000079199_100000211595 [0,0,0,2,0,0|2,0,0]=4 20990 B12R2.6 O=C1CN(CN1)C2CCCC2 2230a_200000708111_100000179811 [0,0,0,2,0,0|2,0,0]=4 20991 B12R2.12 O=C1CCC1NC2CCCC2 34a_100000211070_100009892977 [0,0,0,2,0,0|2,0,0]=4 20992 B12R2.12 O=C1CCC1OC2CCCC2 34a_100000210269_100009892977 [0,0,0,2,0,0|2,0,0]=4 20993 B12R2.12 O=C1CCC1OC2CCCC2 7a_100000210269_100009892977 [0,0,0,2,0,0|2,0,0]=4 20994 B12R2.12 O=C1CCC1SC2CCCC2 62a_100009892977_100000179811 [0,0,0,2,0,0|2,0,0]=4 20995 B12R2.12 O=C1CCC1SC2CCCC2 62a_100011217020_100009892977 [0,0,0,2,0,0|2,0,0]=4 20996 B12R2.44 COC1CCC2CCCC2C1 34a_100000073670_200000210301 [0,0,0,2,0,0|1,0,1]=4 20997 B12R2.44 COC1CCC2CCCC2C1 7a_100000073670_200000210301 [0,0,0,2,0,0|1,0,1]=4 20998 B12R2.44 [13CH3]OC1CCC2CCCC2C1 34a_100000073670_200025704644 [0,0,0,2,0,0|1,0,1]=4 20999 B12R2.44 [13CH3]OC1CCC2CCCC2C1 7a_100000073670_200025704644 [0,0,0,2,0,0|1,0,1]=4 21000 B12R2.1596 C#CC(=O)C1CC2CCC1C2 1458a_100000211873_100000727232 [0,0,0,2,0,0|1,0,1]=4 21001 B12R2.1596 C=CC(=O)C1CC2CCC1C2 1458a_100000185746_100000727232 [0,0,0,2,0,0|1,0,1]=4 21002 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210202 [0,0,0,2,0,0|1,0,0]=3 21003 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000210414_100000727232 [0,0,0,2,0,0|1,0,0]=3 21004 B12R2.1596 CCC(=O)N1CC2CCC1C2 11a_100000743476_100000210414 [0,0,0,2,0,0|2,0,0]=4 21005 B12R2.1596 CCC(=O)N1CC2CCC1C2 1626a_100000743476_100000210414 [0,0,0,2,0,0|2,0,0]=4 21006 B12R2.1596 CCC(=O)N1CC2CCC1C2 240690a_100000743476_100000210414 [0,0,0,2,0,0|2,0,0]=4 21007 B12R2.1596 CCC(=O)N1CC2CCC1C2 527a_100000743476_100000210414 [0,0,0,2,0,0|2,0,0]=4 21008 B12R2.1596 CNC(=O)C1CC2CCC1C2 11a_106832991635_100000181847 [0,0,0,2,0,0|1,0,0]=3 21009 B12R2.1596 CNC(=O)C1CC2CCC1C2 1626a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 21010 B12R2.1596 CNC(=O)C1CC2CCC1C2 240690a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 21011 B12R2.1596 CNC(=O)C1CC2CCC1C2 527a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 21012 B12R2.1596 CNC(=O)N1CC2CCC1C2 2708a_100102657272_100000743476 [0,0,0,2,0,0|2,0,0]=4 21013 B12R2.1596 CNC(=O)N1CC2CCC1C2 273464a_100102657272_100000743476 [0,0,0,2,0,0|2,0,0]=4 21014 B12R2.1596 O=C(CF)C1CC2CCC1C2 1458a_100000181847_100015361967 [0,0,0,2,0,0|2,0,0]=4 21015 B12R2.1596 O=C(CO)C1CC2CCC1C2 1458a_100000210174_100000727232 [0,0,0,2,0,0|2,0,0]=4 21016 B12R2.75 CC1CCN1C2COC(=O)O2 34a_100000755817_100000032252 [0,0,0,2,0,0|2,0,0]=4 21017 B12R2.2298 O=C1CC(CN1)CNC2CC2 34a_100016993742_100000211595 [0,0,0,2,0,0|2,0,0]=4 21018 B12R2.2298 O=C1CC(CN1)COC2CC2 34a_100016041077_100000211595 [0,0,0,2,0,0|2,0,0]=4 21019 B12R2.2298 O=C1CC(CN1)NCC2CC2 2230a_100000697751_100000742324 [0,0,0,2,0,0|2,0,0]=4 21020 B12R2.2298 O=C1CC(CN1)NCC2CC2 269862a_100000697751_100000741477 [0,0,0,2,0,0|2,0,0]=4 21021 B12R2.2298 O=C1CC(CN1)OCC2CC2 34a_100000690082_100000742324 [0,0,0,2,0,0|2,0,0]=4 21022 B12R2.2298 O=C1CCC(C1)OCC2CC2 34a_100012614533_100000742324 [0,0,0,2,0,0|2,0,0]=4 21023 B12R2.2298 O=C1CN(CN1)CCC2CC2 2230a_200000708111_100000694398 [0,0,0,2,0,0|2,0,0]=4 21024 B12R2.2298 O=C1N[C@H](CO1)CNC2CC2 34a_100000212008_100015307671 [0,0,0,2,0,0|2,0,0]=4 21025 B12R2.2298 O=C1N[C@H](CO1)CSC2CC2 62a_100015307671_100000211595 [0,0,0,2,0,0|2,0,0]=4 21026 B12R2.2298 O=C1OCC(O1)CNC2CC2 34a_100000212008_100000073702 [0,0,0,2,0,0|2,0,0]=4 21027 B12R2.2298 O=C1OCC(O1)CSC2CC2 62a_100000073702_100000211595 [0,0,0,2,0,0|2,0,0]=4 21028 B12R2.2298 O=C1OCC(O1)NCC2CC2 34a_100000735609_100000032252 [0,0,0,2,0,0|2,0,0]=4 21029 B12R2.2298 O=C1OCC(O1)OCC2CC2 34a_100000211283_100000032252 [0,0,0,2,0,0|2,0,0]=4 21030 B12R2.2298 O=C1OCC(O1)SCC2CC2 62a_100000756562_100000032252 [0,0,0,2,0,0|2,0,0]=4 21031 B12R2.2301 O=C1CC(CN1)OC2CCC2 34a_100000690082_100000749161 [0,0,0,2,0,0|2,0,0]=4 21032 B12R2.2301 O=C1CCC(C1)OC2CCC2 34a_100012614533_100000749161 [0,0,0,2,0,0|2,0,0]=4 21033 B12R2.2301 O=C1CN(CN1)CC2CCC2 2230a_200000708111_100000763275 [0,0,0,2,0,0|2,0,0]=4 21034 B12R2.2301 O=C1N[C@H](CO1)CN2CCC2 269982a_100000754969_100015307671 [0,0,0,2,0,0|2,0,0]=4 21035 B12R2.2301 O=C1OCC(O1)CN2CCC2 269982a_100000754969_100000073702 [0,0,0,2,0,0|2,0,0]=4 21036 B12R2.2301 O=C1OCC(O1)NC2CCC2 34a_100000749019_100000032252 [0,0,0,2,0,0|2,0,0]=4 21037 B12R2.2301 O=C1OCC(O1)OC2CCC2 34a_100000748187_100000032252 [0,0,0,2,0,0|2,0,0]=4 21038 B12R2.1561 CCC(=O)N1C2CCC1CC2 11a_100000735658_100000210414 [0,0,0,2,0,0|2,0,0]=4 21039 B12R2.1561 CCC(=O)N1C2CCC1CC2 1626a_100000735658_100000210414 [0,0,0,2,0,0|2,0,0]=4 21040 B12R2.1561 CCC(=O)N1C2CCC1CC2 240690a_100000735658_100000210414 [0,0,0,2,0,0|2,0,0]=4 21041 B12R2.1561 CCC(=O)N1C2CCC1CC2 527a_100000735658_100000210414 [0,0,0,2,0,0|2,0,0]=4 21042 B12R2.1561 CNC(=O)N1C2CCC1CC2 2708a_100102657272_100000735658 [0,0,0,2,0,0|2,0,0]=4 21043 B12R2.1561 CNC(=O)N1C2CCC1CC2 273464a_100102657272_100000735658 [0,0,0,2,0,0|2,0,0]=4 21044 B12R2.1619 CCC(=O)CN1CC2CC2C1 269982a_100000741873_100000747405 [0,0,0,2,0,0|2,0,0]=4 21045 B12R2.1619 CNC(=O)CN1CC2CC2C1 2230a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 21046 B12R2.1619 CNC(=O)CN1CC2CC2C1 269982a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 21047 B12R2.1619 CNC(=O)CN1CC2CC2C1 34a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 21048 B12R2.1619 COC(=O)CN1CC2CC2C1 2230a_100000741873_100000747449 [0,0,0,2,0,0|1,0,0]=3 21049 B12R2.1619 COC(=O)CN1CC2CC2C1 269982a_100000741873_100000747449 [0,0,0,2,0,0|1,0,0]=3 21050 B12R2.1619 COC(=O)CN1CC2CC2C1 34a_100000741873_100000747449 [0,0,0,2,0,0|1,0,0]=3 21051 B12R2.3511 CCC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100000210202 [0,0,0,2,0,0|1,0,0]=3 21052 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 21053 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 21054 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 21055 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 21056 B12R2.3511 O=C(CF)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100015361967 [0,0,0,2,0,0|2,0,0]=4 21057 B12R2.244 CC1CC1COC2CCC2=O 34a_100000744939_100009892977 [0,0,0,2,0,0|2,0,0]=4 21058 B12R2.244 CC1CC1COC2CCC2=O 7a_100000744939_100009892977 [0,0,0,2,0,0|2,0,0]=4 21059 B12R2.1310 O=C1CCC1CCN2CCC2 269982a_100000754969_200016118888 [0,0,0,2,0,0|2,0,0]=4 21060 B12R2.1310 O=C1CCC1NCC2CCC2 34a_100000738700_100009892977 [0,0,0,2,0,0|2,0,0]=4 21061 B12R2.1310 O=C1CCC1OCC2CCC2 34a_100000760304_100009892977 [0,0,0,2,0,0|2,0,0]=4 21062 B12R2.1310 O=C1CCC1SCC2CCC2 62a_100000763275_100009892977 [0,0,0,2,0,0|2,0,0]=4 21063 B12R2.1310 O=C1CCC1SCC2CCC2 62a_100009892977_100000763275 [0,0,0,2,0,0|2,0,0]=4 21064 B12R2.296 CCC(=O)N1CCCC12CC2 11a_100020620911_100000210414 [0,0,0,2,0,0|2,0,0]=4 21065 B12R2.296 CCC(=O)N1CCCC12CC2 1626a_100020620911_100000210414 [0,0,0,2,0,0|2,0,0]=4 21066 B12R2.296 CCC(=O)N1CCCC12CC2 240690a_100020620911_100000210414 [0,0,0,2,0,0|2,0,0]=4 21067 B12R2.296 CCC(=O)N1CCCC12CC2 527a_100020620911_100000210414 [0,0,0,2,0,0|2,0,0]=4 21068 B12R2.296 CNC(=O)N1CCCC12CC2 2708a_100102657272_100020620911 [0,0,0,2,0,0|2,0,0]=4 21069 B12R2.1549 COC(=O)C1C2CC1N(C2)C 2230a_200010453038_200000210301 [0,0,0,2,0,0|1,0,0]=3 21070 B12R2.1549 COC(=O)C1C2CC1N(C2)C 269982a_200010453038_200000210301 [0,0,0,2,0,0|1,0,0]=3 21071 B12R2.1549 COC(=O)C1C2CC1N(C2)C 34a_200010453038_200000210301 [0,0,0,2,0,0|1,0,0]=3 21072 B12R2.1549 COC(=O)C1C2CC1N(C2)[13CH3] 2230a_200010453038_200025704644 [0,0,0,2,0,0|1,0,0]=3 21073 B12R2.1549 COC(=O)C1C2CC1N(C2)[13CH3] 269982a_200010453038_200025704644 [0,0,0,2,0,0|1,0,0]=3 21074 B12R2.1549 COC(=O)C1C2CC1N(C2)[13CH3] 34a_200010453038_200025704644 [0,0,0,2,0,0|1,0,0]=3 21075 B12R2.1593 COC(=O)[C@@H]1CCN1C2CC2 269982a_102516456887_100000211595 [0,0,0,2,0,0|1,0,0]=3 21076 B12R2.110 C[C@@H]1CCCN1C2CCC2=O 269982a_100015189458_100009892977 [0,0,0,2,0,0|2,0,0]=4 21077 B12R2.110 C[C@@H]1CCCN1C2CCC2=O 34a_100015189458_100009892977 [0,0,0,2,0,0|2,0,0]=4 21078 B12R2.110 C[C@H]1CCCN1C2CCC2=O 269982a_100020605311_100009892977 [0,0,0,2,0,0|2,0,0]=4 21079 B12R2.1298 O=C1CCC1CCSC2CC2 62a_200016118888_100000211595 [0,0,0,2,0,0|2,0,0]=4 21080 B12R2.1298 O=C1CCC1NCCC2CC2 34a_100000764129_100009892977 [0,0,0,2,0,0|2,0,0]=4 21081 B12R2.1298 O=C1CCC1OCCC2CC2 34a_100000754188_100009892977 [0,0,0,2,0,0|2,0,0]=4 21082 B12R2.1298 O=C1CCC1OCCC2CC2 7a_100000754188_100009892977 [0,0,0,2,0,0|2,0,0]=4 21083 B12R2.1298 O=C1CCC1SCCC2CC2 62a_100000764125_100009892977 [0,0,0,2,0,0|2,0,0]=4 21084 B12R2.1298 O=C1CCC1SCCC2CC2 62a_100009892977_100000764125 [0,0,0,2,0,0|2,0,0]=4 21085 B12R2.1548 COC(=O)C1CN1CC2CC2 2230a_200009830135_100000742324 [0,0,0,2,0,0|1,0,0]=3 21086 B12R2.1548 COC(=O)C1CN1CC2CO2 2230a_200009830135_100011216344 [0,0,0,2,0,0|2,0,0]=4 21087 B12R2.3480 COC(=O)C1CN1C2CCC2 270004a_200009830135_100000241760 [0,0,0,2,0,0|1,0,0]=3