0 B7R0.1 CNCCCCC=C CB11323 [1,0,0,0,0,0|1,0,0]=2 1 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,1,0,0,0,0|2,0,0]=3 2 B9R0.45 CCCCCCNCCN AB05874 [0,1,0,0,0,0|1,0,1]=3 3 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,0,0,1,0,0|2,0,1]=4 4 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.5 CN1CCNCCC1=O AB49613 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.8 C#CCC1CCOCC1 AB85640 [0,0,0,1,0,0|1,0,2]=4 7 B9R1.8 C#CCN1CCCCC1 AB06369 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.8 C1CC(COC1)CC#N MB05839 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.8 C1CC(COC1)CCN MB05843 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.8 C1CCC(CC1)CC#N AB02345 [0,0,0,1,0,0|1,0,1]=3 11 B9R1.8 C1CCC(CC1)CC=O MB02401 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.8 C1CCC(CC1)CCN AB02346 [0,0,0,1,0,0|1,0,1]=3 13 B9R1.8 C1CCC(CC1)CCN AB09885 [0,0,0,1,0,0|1,0,1]=3 14 B9R1.8 C1CCC(CC1)CNN AB23600 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.8 C1CCC(CC1)N=C=O AB00329 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.8 C1CCOC(C1)CC#N MB05835 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.8 C1CCOC(C1)CCN AB28415 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.8 C1COCCC1CC#N AB21392 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.8 C1COCCC1CC=O PB20812 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.8 C1COCCC1CCBr AB52526 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.8 C1COCCC1CCI AB69545 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.8 C1COCCC1CCN AB14269 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.8 C1COCCC1CCN PB34023 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.8 C1COCCC1CCO PB27428 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.8 C1CSCCC1CC=O AB14652 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.8 CCCC1CNCCO1 AB70522 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.8 CCCC1COCCN1 AB53847 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.8 CNCC1CCCCO1 AB45928 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.8 CNCC1CCNCC1 AB28325 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.8 CNCC1CCOCC1 PB32464 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.8 COCC1CCCCN1 MB02439 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.8 COCC1CCNCC1 PB18718 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.12 C1CCC(C1)CN=C=O AB55252 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.12 CCCCC1CCCN1 AB12052 [0,0,0,1,0,0|1,0,1]=3 36 B9R1.14 CCN1CCCC1CN PB19842 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.15 C1CC[C@H]([C@@H](C1)C#N)O AB03956 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.15 C1CC[C@H]([C@@H](C1)CN)N AB29959 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.15 C1CC[C@H]([C@H](C1)CN)N AB29958 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.15 CCC1CCCCC1=O AB02693 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.15 CCC1COCCC1=O AB75455 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.15 CCN1CCNCC1=O AB30261 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.15 COC1COCCC1=O PB17702 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.33 CCCN1CCCC1=O AB51341 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.33 CN1CCCC1CCN AB00295 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.33 CN1CCC[C@@H]1CCN PB32997 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.33 CN1CCC[C@H]1CCN PB31004 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.89 C1CC(CCNC1)C#N PB37104 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.89 COC1CCCNCC1 PB16681 [0,0,0,1,0,0|2,0,1]=4 65 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,0]=3 66 B8R0.7 B(CCCCCC)(O)O AB08083 [1,1,0,0,0,0|2,0,0]=4 67 B10R0.4 B(\C=C\CCCCCC)(O)O AB10827 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,2,0,0,0,0|1,0,1]=4 69 B8R1.2 C1CC(CNC1)CN AB17390 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.2 C1CC(CNC1)CO PB21599 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.2 C1CC(COC1)C=O AB16155 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.2 C1CC(COC1)CBr PB14565 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.2 C1CC(COC1)CN PB23481 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.2 C1CCC(=CC1)CBr PB28658 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.2 C1CCN(CC1)CCl AB16725 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.2 C1CCOC(C1)CBr MB00206 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.2 C1CCOC(C1)CN AB28292 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.2 C1CCOC(C1)CO AB00784 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.2 C1CNCCC1C=O AB52543 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.2 C1CNCCC1CBr AB52518 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.2 C1CNCCC1CBr MB02967 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.2 C1CNCCC1CF PB14869 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.2 C1CNCCC1CO PB10118 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.2 C1COCCC1CBr PB20063 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.2 C1COCCC1CCl AB71513 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.2 C1COCCC1CI PB24898 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.2 C1COCCC1CN AB14272 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.2 C1COCCC1CN PB27569 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.2 C1COCCC1CO PB18487 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.2 C1CSCCC1C=O AB14650 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.2 C1CSCCC1CN PB35740 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.2 C1CSCCC1CO PB28111 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.2 CCC1CNCCN1 AB13949 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.2 CCC1CNCCO1 AB49621 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.2 CCC1COCCN1 AB49617 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.5 CC1CCNCC1O PB36981 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.8 C1CC(NC1)CCO CB10162 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.8 C1CC(NC1)CCO PB35354 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.8 C1CC(OC1)CCI AB76593 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.8 C1CC(OC1)CCN AB30605 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,1,0,0|1,0,0]=3 123 B8R1.8 C1CCC(C1)CON CB11464 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.8 C1CNCC1CCO PB20322 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.8 C1COCC1CC=O AB75447 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.8 C1COCC1CCI AB75456 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.8 C1COCC1CCN AB45457 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|1,0,0]=3 129 B8R1.8 COC[C@@H]1CCCN1 PB10025 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.8 COC[C@H]1CCCN1 PB15637 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.11 CN1CCC[C@@H]1CN PB21275 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.11 CN1CCC[C@@H]1CO PB17412 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.11 CN1CCC[C@H]1CN PB34570 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.22 C1CC(CCNC1)F PB33307 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.22 C1CC(CCNC1)O PB18652 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.22 C1CC(CCOC1)N AB70734 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.22 C1CCNCC(C1)N AB11528 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.22 CC1CCNCCN1 PB17623 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.22 C[C@H]1CNCCCN1 AB72341 [1,0,0,1,0,0|2,0,0]=4 144 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.18 B(CC1CCCCC1)(O)O AB53934 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.18 C1CNCCC1CC(=O)N PB30145 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.18 C1CNCCC1CC(=O)O PB18605 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.18 C1COCCC1CC(=O)O PB33952 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O AB49857 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB30956 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB49845 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.38 C[C@]1(CCCC[C@@H]1CN)O AB42824 [0,1,0,1,0,0|1,0,1]=4 158 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)N AB50604 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,1,0,1,0,0|2,0,0]=4 162 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,1,0,1,0,0|2,0,0]=4 164 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|1,0,0]=3 165 B10R1.85 C1CCCC(CC1)CCN AB18476 [0,1,0,1,0,0|0,0,2]=4 166 B10R1.4 CCCC1CCNCC1=O AB59855 [0,1,0,1,0,0|1,0,0]=3 167 B10R1.4 CCCC1COCCC1=O AB76451 [0,1,0,1,0,0|1,0,0]=3 168 B10R1.17 C1CCC(CC1)CCCN AB02348 [0,1,0,1,0,0|0,0,2]=4 169 B10R1.17 C1COCCC1CCCN AB64018 [0,1,0,1,0,0|1,0,1]=4 170 B10R1.17 CCCCC1CCNCC1 AB21590 [0,1,0,1,0,0|0,0,2]=4 171 B10R1.17 CNCCC1CCCCO1 AB28412 [0,1,0,1,0,0|1,0,1]=4 172 B10R1.17 COCCC1CCNCC1 PB28136 [0,1,0,1,0,0|1,0,1]=4 173 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|2,0,0]=4 174 B10R2.7 C1CCC2=NCC=C2C1 CB10084 [0,0,0,2,0,0|1,0,1]=4 175 B10R2.7 C1CCC2C(C1)CCN2 MB00212 [0,0,0,2,0,0|1,0,1]=4 176 B10R2.7 C1CCC2CNCC2C1 AB13837 [0,0,0,2,0,0|1,0,1]=4 177 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,0,0,2,0,0|2,0,0]=4 178 B10R2.408 C1CC2CCCC(C1)N2 PB15439 [0,0,0,2,0,0|1,0,1]=4 179 B10R2.484 C1CC2(C1)CCCNC2 PB16417 [0,0,0,2,0,0|1,0,1]=4 180 B10R2.484 C1CCC2(CC1)CCN2 PB23617 [0,0,0,2,0,0|1,0,1]=4 181 B10R2.484 C1CCC2(CC1)CNC2 PB17821 [0,0,0,2,0,0|1,0,1]=4 182 B10R2.484 C1CCNC2(C1)CCC2 PB31158 [0,0,0,2,0,0|1,0,1]=4 183 B10R2.484 C1CCNC2(C1)CCC2 PB37563 [0,0,0,2,0,0|1,0,1]=4 184 B10R2.32 C1CC(=O)C2C1CNC2 PB32434 [0,0,0,2,0,0|2,0,0]=4 185 B10R2.32 C1CC2C(=O)CCN2C1 AB27646 [0,0,0,2,0,0|2,0,0]=4 186 B10R2.483 C1CCC2(C1)CCNC2 PB20982 [0,0,0,2,0,0|1,0,1]=4 187 B10R2.15 C1CC12CCNCC2=O PB36536 [0,0,0,2,0,0|2,0,0]=4 188 B10R2.41 C1CC2CNCC1C2=O PB30498 [0,0,0,2,0,0|2,0,0]=4