0 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB00862 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB03388 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 CC(CN1CCCCC1)CO AB43255 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 COC(=O)CC1CCNCC1 AB19927 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 COC(=O)CC1CCNCC1 AB50157 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 COC(=O)C[C@@H]1CCCCN1 MB06954 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 COC(=O)C[C@H]1CCCCN1 MB06952 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C1CCC(CC1)CCCN AB02348 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 C1COCCC1CCCN AB64018 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCCCC1CCNCC1 AB21590 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CCCOC1CCNCC1 AB23647 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 CNCCC1CCCCO1 AB28412 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 CNCCN1CCOCC1 AB53812 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 COCCC1CCNCC1 PB28136 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 CSCCC1CNCCN1 AB36160 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CSCC[C@@H]1CNCCN1 AB36163 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 CSCC[C@H]1CNCCN1 AB36162 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.18 B(CC1CCCCC1)(O)O AB53934 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 C1CNCCC1CC(=O)N PB30145 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 CC(C)CC1CNCCN1 AB36144 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.18 CC(C)CN1CCNCC1 AB01760 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.18 CC(C)C[C@@H]1CNCCN1 AB36149 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.18 CC(C)C[C@@H]1COCCN1 AB64206 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.18 CC(C)C[C@H]1CNCCN1 AB36145 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.18 CC(C)C[C@H]1COCCN1 AB64207 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.18 CC(C)OC1CCNCC1 AB30384 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.18 CN(C)CC1CCCCN1 MB00319 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.43 C1CCC(CC1)C[C@H](C(=O)O)N AB04112 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.118 CCN(CC)CC1CCCCN1 MB00600 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.371 CC1CCCCN1CC(C)CO AB43254 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.29 C1C[C@@H]2C[C@H](C[C@H](C1)N2)C#N PB19775 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.594 C1C[C@@H]2CC(=O)NC[C@H](C1)N2 AB65838 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.2918 C1CC2(CC(=O)NC2)CNC1 PB11013 [0,0,0,1,0,0|2,0,1]=4 33 B12R2.2918 C1CNCCC12CC(=O)NC2 PB28206 [0,0,0,1,0,0|2,0,1]=4 34 B12R2.2918 C1COCCC12CC(=O)NC2 PB33154 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.15 CC[C@H](C)[C@H]1CNCCN1 AB36167 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.27 CC(CN1CCCC1)CO AB43256 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.8 C1CC(COC1)CCN MB05843 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 C1CCC(CC1)CC#N AB02345 [2,0,0,0,0,0|0,0,2]=4 39 B9R1.8 C1CCC(CC1)CC=O MB02401 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.8 C1CCC(CC1)CCN AB02346 [2,0,0,0,0,0|0,0,0]=2 41 B9R1.8 C1CCC(CC1)CCN AB09885 [2,0,0,0,0,0|0,0,0]=2 42 B9R1.8 C1CCC(CC1)CNN AB23600 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 C1CCOC(C1)CCN AB28415 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 C1COCCC1CCBr AB52526 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 C1COCCC1CCI AB69545 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 C1COCCC1CCN AB14269 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 C1COCCC1CCN PB34023 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 C1COCCC1CCO PB27428 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 C1CSCCN1CCN AB11122 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 CCCC1CNCCO1 AB70522 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.8 CCCC1COCCN1 AB53847 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.8 CCOC1CCNCC1 AB30382 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 CNCC1CCCCO1 AB45928 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 CNCC1CCNCC1 AB28325 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.8 CNCC1CCOCC1 PB32464 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 CNCC1COCCO1 AB16898 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 COCC1CCCCN1 MB02439 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 COCC1CCNCC1 PB18718 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.1 CNCCN1CCN(CC1)C AB53832 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.16 C1CCC(CC1)C(CCO)N AB23294 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.17 COCCC1C(CCCN1)O AB43245 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.28 C1CCC(CC1)CCCCN AB01262 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.28 C1CNCCC1CCCCBr AB13958 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.22 CCC(C)N1CCC(CC1)O MB14850 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.42 C[C@H](CCN)COC1CCCCO1 MB06055 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.1001 CCN(CC)CC1CCCCNC1 MB69117 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.418 C1CCC(CC1)CC(CN)C(=O)O AB35790 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.418 C1CCC(CC1)C[C@@H](CN)C(=O)O AB35793 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.418 C1CCC(CC1)C[C@H](CN)C(=O)O AB35797 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.54 C[C@@]1(CCCC[C@H]1CO)NC AB42778 [0,0,1,1,0,0|1,0,0]=3 72 B11R1.54 C[C@@]1(CCCC[C@H]1CO)NC AB49847 [0,0,1,1,0,0|1,0,0]=3 73 B11R2.20 C1CN2CCOC[C@@H]2CN1 PB38283 [1,0,0,1,0,0|2,0,0]=4 74 B11R2.20 C1CNCC2C1CCNC2 AB43609 [1,0,0,1,0,0|1,0,0]=3 75 B11R2.20 C1C[C@H]2CCNC[C@H]2NC1 PB15533 [1,0,0,1,0,0|1,0,0]=3 76 B11R2.20 C1C[C@H]2CCNC[C@H]2NC1 PB39006 [1,0,0,1,0,0|1,0,0]=3 77 B11R2.239 C1COCCN1C2CNC2 PB14706 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.1261 C1CC2(CCNC2)COC1 PB21347 [1,0,0,1,0,0|1,0,0]=3 79 B11R2.1261 C1CCC2(CC1)CCNC2 PB15836 [1,0,0,1,0,0|0,0,0]=2 80 B11R2.1261 C1CNCC12CCOCC2 PB24369 [1,0,0,1,0,0|1,0,0]=3 81 B11R2.1261 C1CNCC12CCOCC2 PB26759 [1,0,0,1,0,0|1,0,0]=3 82 B11R2.1261 C1CNCC12CCOCC2 PB36135 [1,0,0,1,0,0|1,0,0]=3 83 B11R2.1261 C1CNCCC12CCOC2 PB14854 [1,0,0,1,0,0|2,0,0]=4 84 B11R2.10 CN1CC2CCNCC2C1 PB20995 [1,0,0,1,0,0|2,0,0]=4 85 B11R2.433 C1CN2CCC1CC(C2)N PB35839 [1,0,0,1,0,0|1,0,0]=3 86 B11R2.703 C1CNCCC12CC(C2)F PB30344 [1,0,0,1,0,0|2,0,0]=4 87 B13R2.32 CN1[C@H]2CCCC[C@@H]2OCC1=O PB14044 [0,0,0,1,0,1|1,0,1]=4 88 B13R2.64 C1CCN(CC1)CC2CCCN2 AB12049 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.12 CCCCC1CCCN1 AB12052 [1,0,0,0,1,0|2,0,0]=4 90 B9R1.6 CC(C)C1CCCCN1 AB12062 [1,0,0,0,1,0|1,0,0]=3 91 B9R1.6 CC(C)C1CNCCN1 AB36138 [1,0,0,0,1,0|2,0,0]=4 92 B9R1.6 CC(C)C1CNCCO1 AB70519 [1,0,0,0,1,0|2,0,0]=4 93 B9R1.6 CC(C)[C@@H]1CNCCN1 AB36142 [1,0,0,0,1,0|2,0,0]=4 94 B9R1.6 CC(C)[C@H]1CNCCN1 AB36140 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.13 CC(C)C[C@@H]1CCNC1 AB66512 [1,0,0,0,1,0|1,0,0]=3 96 B9R1.13 CC(C)C[C@H]1CCNC1 AB66515 [1,0,0,0,1,0|1,0,0]=3 97 B9R1.13 CN(C)C[C@@H]1CCCN1 PB28130 [1,0,0,0,1,0|2,0,0]=4 98 B9R1.13 CN(C)C[C@H]1CCCN1 PB19677 [1,0,0,0,1,0|2,0,0]=4