0 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.2 B(\C=C\CCCCC)(O)O AB08058 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 B(CCCCCC)(O)O AB08083 [1,0,0,0,0,0|2,0,0]=3 3 B10R0.4 B(\C=C\CCCCCC)(O)O AB10827 [0,1,0,0,0,0|2,0,1]=4 4 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,1,0,0,0,0|1,0,2]=4 5 B10R1.10 CN1CCCC(C1)CCN PB33033 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.10 CN1CCCC(C1)CCO PB22676 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.18 B(CC1CCCCC1)(O)O AB53934 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.18 C1CNCCC1CC(=O)O PB18605 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.18 C1COCCC1CC(=O)O PB33952 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.18 CC(C)CC1CNCCN1 AB36144 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.18 CC(C)CN1CCNCC1 AB01760 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.18 CC(C)C[C@@H]1CNCCN1 AB36149 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.18 CC(C)C[C@@H]1COCCN1 AB64206 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.18 CC(C)C[C@H]1CNCCN1 AB36145 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.18 CC(C)C[C@H]1COCCN1 AB64207 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.18 CC(C)OC1CCNCC1 AB30384 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.18 CN(C)CC1CCCCN1 MB00319 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O AB49857 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB30956 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB49845 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.38 C[C@]1(CCCC[C@@H]1CN)O AB42824 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.348 CC(C)N1CCCNCC1 MB06129 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.348 CN(C)C1CCCCNC1 MB08493 [0,0,0,1,0,0|3,0,0]=4 34 B7R0.4 B(CCCCC)(O)O AB08098 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.45 C(COCCOCCO)N AB31123 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.45 CCCCCCNCCN AB05874 [1,1,0,0,0,0|1,0,0]=3 37 B9R0.4 CCCCC(CC(=O)O)N AB08231 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.8 C1CC(COC1)CCN MB05843 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 C1CCC(CC1)CC#N AB02345 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.8 C1CCC(CC1)CC=O MB02401 [1,0,0,1,0,0|0,0,2]=4 43 B9R1.8 C1CCC(CC1)CCN AB02346 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.8 C1CCC(CC1)CCN AB09885 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.8 C1CCC(CC1)CNN AB23600 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.8 C1CCOC(C1)CC#N MB05835 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.8 C1CCOC(C1)CCN AB28415 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.8 C1COCCC1CCBr AB52526 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.8 C1COCCC1CCI AB69545 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.8 C1COCCC1CCN AB14269 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.8 C1COCCC1CCN PB34023 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.8 C1COCCC1CCO PB27428 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.8 CCCC1CNCCO1 AB70522 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.8 CCCC1COCCN1 AB53847 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.8 CCOC1CCNCC1 AB30382 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.8 CNCC1CCCCO1 AB45928 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.8 CNCC1CCNCC1 AB28325 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.8 CNCC1CCOCC1 PB32464 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.8 CNCC1COCCO1 AB16898 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.8 COCC1CCCCN1 MB02439 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.8 COCC1CCNCC1 PB18718 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.12 CCCCC1CCCN1 AB12052 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB11831 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB12067 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.14 CCN1CCCC1CN PB19842 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.15 C1CC[C@H]([C@@H](C1)C#N)O AB03956 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.15 C1CC[C@H]([C@@H](C1)CN)N AB29959 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.15 C1CC[C@H]([C@H](C1)CN)N AB29958 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O PB38822 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O PB37859 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.15 C1CNC[C@@H]([C@H]1CO)O PB38900 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.15 C1CNC[C@H]([C@@H]1CN)O PB36505 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.15 CCC1CCCCC1=O AB02693 [1,0,0,1,0,0|0,0,2]=4 82 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.33 CN1CCCC1CCN AB00295 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.33 CN1CCC[C@@H]1CCN PB32997 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.33 CN1CCC[C@H]1CCN PB31004 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.89 COC1CCCNCC1 PB16681 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.6 B(C1CCCCC1)(O)O AB08478 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.6 CC(C)C1CCCCN1 AB12062 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.13 CC(C)C[C@@H]1CCNC1 AB66512 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.13 CC(C)C[C@H]1CCNC1 AB66515 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB42780 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB49850 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.48 CN1CCCCC(C1)N MB07245 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.148 CC1(CCCNCC1)O PB34852 [1,0,0,1,0,0|1,0,0]=3 98 B11R1.201 CCOC(=O)CC1CC(C1)O PB38836 [0,1,0,1,0,0|1,0,1]=4 99 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](C1)O PB39260 [0,1,0,1,0,0|1,0,1]=4 100 B11R1.201 CCOC(=O)C[C@H]1C[C@H](C1)O PB36616 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.53 CCN1CCCCC1C(=O)O AB13803 [0,1,0,1,0,0|1,0,1]=4 102 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O AB44866 [0,1,0,1,0,0|1,0,1]=4 103 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O AB45066 [0,1,0,1,0,0|1,0,1]=4 104 B11R1.77 C1CCC(C1)C(CC(=O)O)N AB12940 [0,1,0,1,0,0|1,0,1]=4 105 B11R1.77 C1CCC(C1)[C@@H](CC(=O)O)N AB36115 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.77 C1CCC(C1)[C@H](CC(=O)O)N AB36111 [0,1,0,1,0,0|1,0,1]=4 107 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB00862 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB03388 [0,1,0,1,0,0|1,0,0]=3 109 B11R1.40 C1COCCN1CC(CCl)O AB60695 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.40 CC(CN1CCCCC1)CO AB43255 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.54 C[C@@]1(CCCC[C@H]1CO)NC AB42778 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.54 C[C@@]1(CCCC[C@H]1CO)NC AB49847 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.35 C1CCC(C1)C[C@H](C(=O)O)N AB15926 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.36 C1CCC(CC1)[C@H](C(=O)O)N AB08456 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.231 C1[C@@H]([C@H](CN1CCCN)O)O AB48150 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.231 C1[C@H]([C@@H](CN1CCCN)O)O AB48144 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N AB22652 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N AB49828 [0,1,0,1,0,0|1,0,1]=4 119 B11R2.36 C1CC2CNCC2CC1O PB27156 [0,0,0,2,0,0|1,0,0]=3 120 B11R2.36 C1C[C@@H]2CNC[C@@H]2C[C@@H]1O PB27149 [0,0,0,2,0,0|1,0,0]=3 121 B11R2.36 C1C[C@@H]2CNC[C@@H]2C[C@H]1O PB30280 [0,0,0,2,0,0|1,0,0]=3 122 B11R2.248 C1C[C@@H]2C[C@H]1CC2CCN AB18507 [0,0,0,2,0,0|2,0,0]=4 123 B11R2.16 C1CC2CC(CC1N2)CO PB37107 [0,0,0,2,0,0|2,0,0]=4 124 B11R2.16 C1C[C@H]2C[C@@H](C[C@@H]1N2)CO PB16590 [0,0,0,2,0,0|2,0,0]=4 125 B11R2.433 C1CN2CCC1CC(C2)N PB35839 [0,0,0,2,0,0|2,0,0]=4 126 B11R2.703 C1CNCCC12CC(C2)F PB30344 [0,0,0,2,0,0|2,0,0]=4 127 B11R2.391 CC1(CCC2CCC1N2)O PB35918 [0,0,0,2,0,0|1,0,0]=3 128 B11R2.120 CN1[C@@H]2CCC[C@H]1[C@@H](C2)O PB19258 [0,0,0,2,0,0|1,0,0]=3 129 B11R2.120 CN1[C@@H]2CCC[C@H]1[C@H](C2)O PB35982 [0,0,0,2,0,0|1,0,0]=3 130 B11R2.432 CN1[C@@H]2CC[C@H]1C[C@@H](C2)N PB14179 [0,0,0,2,0,0|2,0,0]=4