0 B9R0.45 CCCCCCNCCN AB05874 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.4 C(COCCOCC(=O)O)N AB66809 [0,1,0,0,0,0|3,0,0]=4 2 B10R1.4 C1CN(C(=O)OC1)CCN CB11335 [0,0,0,1,0,0|3,0,0]=4 3 B10R1.4 CCCC1CCNCC1=O AB59855 [0,0,0,1,0,0|1,0,0]=2 4 B10R1.4 CCCC1COCCC1=O AB76451 [0,0,0,1,0,0|1,0,0]=2 5 B10R1.4 CSCC1C(=O)NCCN1 AB37168 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.4 CSC[C@@H]1C(=O)NCCN1 AB37173 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.4 CSC[C@H]1C(=O)NCCN1 AB37170 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.17 C1CCC(CC1)CCCN AB02348 [0,0,0,1,0,0|1,0,1]=3 9 B10R1.17 C1COCCC1CCCN AB64018 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.17 CCCCC1CCNCC1 AB21590 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.17 CNCCC1CCCCO1 AB28412 [0,0,0,1,0,0|1,0,2]=4 12 B10R1.17 COCCC1CCNCC1 PB28136 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.29 CCCCN1CCCC1=O AB01298 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.85 C1CCCC(CC1)CCN AB18476 [0,0,0,1,0,0|1,0,1]=3 15 B7R0.1 CNCCCCC=C CB11323 [2,0,0,0,0,0|1,0,1]=4 16 B9R0.2 B(CCCCCCC)(O)O AB23085 [1,1,0,0,0,0|1,0,1]=4 17 B11R0.3 CCCCCCCCNCCN AB15567 [0,2,0,0,0,0|1,0,1]=4 18 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [1,0,0,1,0,0|1,0,1]=4 19 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [1,0,0,1,0,0|1,0,1]=4 20 B9R1.5 CN1CCNCCC1=O AB49613 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.8 C1CC(COC1)CCN MB05843 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.8 C1CCC(CC1)CC#N AB02345 [1,0,0,1,0,0|1,0,1]=4 23 B9R1.8 C1CCC(CC1)CC=O MB02401 [1,0,0,1,0,0|0,0,0]=2 24 B9R1.8 C1CCC(CC1)CCN AB02346 [1,0,0,1,0,0|1,0,0]=3 25 B9R1.8 C1CCC(CC1)CCN AB09885 [1,0,0,1,0,0|1,0,0]=3 26 B9R1.8 C1CCC(CC1)CNN AB23600 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.8 C1CCC(CC1)N=C=O AB00329 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.8 C1CCOC(C1)CCN AB28415 [1,0,0,1,0,0|1,0,1]=4 30 B9R1.8 C1COCCC1CC=O PB20812 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.8 C1COCCC1CCBr AB52526 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.8 C1COCCC1CCI AB69545 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.8 C1COCCC1CCN AB14269 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.8 C1COCCC1CCN PB34023 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.8 C1COCCC1CCO PB27428 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.8 C1CSCCC1CC=O AB14652 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.8 CCCC1CNCCO1 AB70522 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.8 CCCC1COCCN1 AB53847 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.8 CNCC1CCCCO1 AB45928 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.8 COCC1CCCCN1 MB02439 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.12 C1CCC(C1)CN=C=O AB55252 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.12 CCCCC1CCCN1 AB12052 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.14 CCN1CCCC1CN PB19842 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.15 C1CC[C@H]([C@@H](C1)CN)N AB29959 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.15 C1CC[C@H]([C@H](C1)CN)N AB29958 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.15 CCC1C(=O)CCCN1 AB43253 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.15 CCC1C(=O)NCCN1 AB22426 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.15 CCC1CCCCC1=O AB02693 [1,0,0,1,0,0|0,0,0]=2 56 B9R1.15 CCC1COCCC1=O AB75455 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.15 CCN1CCNCC1=O AB30261 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [1,0,0,1,0,0|1,0,1]=4 64 B9R1.15 COC1COCCC1=O PB17702 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.33 CCCN1CCCC1=O AB51341 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.33 CN1CCCC1CCN AB00295 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.33 CN1CCC[C@@H]1CCN PB32997 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.33 CN1CCC[C@H]1CCN PB31004 [1,0,0,1,0,0|2,0,0]=4 69 B11R1.16 C1CCC(CC1)C(CCO)N AB23294 [0,1,0,1,0,0|0,0,2]=4 70 B11R1.24 CSCCC1CNCC(=O)N1 AB37328 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.24 CSCC[C@@H]1CNCC(=O)N1 AB37334 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.24 CSCC[C@H]1CNCC(=O)N1 AB37332 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.117 C1CCCC(CCC1)CCN AB18478 [0,1,0,1,0,0|1,0,1]=4 74 B11R1.180 CCCCCN1CCCC1=O AB51337 [0,1,0,1,0,0|0,0,0]=2 75 B11R1.53 CCN1CCCCC1C(=O)O AB13803 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.86 CC(=O)CC1CCCCC1=O AB07998 [0,1,0,1,0,0|0,0,1]=3 77 B11R1.86 CC(=O)CC1COCCC1=O AB84957 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.86 CC(C)CC1C(=O)NCCN1 AB37162 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.86 CC(C)CN1CCNCC1=O AB30264 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.86 CC(C)C[C@@H]1C(=O)NCCN1 AB37167 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.86 CC(C)C[C@H]1C(=O)NCCN1 AB37166 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.86 CC1CNCCN1CC(=O)O AB61887 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.86 C[C@@H]1CNCCN1CC(=O)O AB61891 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.86 C[C@H]1CNCCN1CC(=O)O AB61892 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.91 C1CN(CCN1)CCC(=O)O AB13782 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.91 C1CNC(CN1)CCC(=O)O AB22220 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.91 C1CNCCC1CCC(=O)N MB05160 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O AB44866 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O AB45066 [0,1,0,1,0,0|1,0,0]=3 90 B11R1.17 CSCCC1C(=O)NCCN1 AB37175 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.17 CSCC[C@@H]1C(=O)NCCN1 AB37183 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.17 CSCC[C@H]1C(=O)NCCN1 AB37179 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.28 C1CCC(CC1)CCCCN AB01262 [0,1,0,1,0,0|1,0,1]=4 94 B11R1.28 C1CCN(CC1)CCC[Mg]Cl AB60816 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.28 C1CNCCC1CCCCBr AB13958 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.203 C1CCCN(CC1)CCCN AB01303 [0,1,0,1,0,0|1,0,1]=4 97 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB00862 [0,1,0,1,0,0|0,0,2]=4 98 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB03388 [0,1,0,1,0,0|0,0,2]=4 99 B11R2.10 C1CC2C(CC(=O)N2)NC1 AB77336 [0,0,0,2,0,0|2,0,0]=4 100 B11R2.10 C1CNCC2C1CC(=O)N2 AB68649 [0,0,0,2,0,0|2,0,0]=4 101 B11R2.55 C1CC1N2CCNCC2=O AB37017 [0,0,0,2,0,0|2,0,0]=4 102 B11R2.106 C1CC2C(=O)NCCN2C1 AB06527 [0,0,0,2,0,0|2,0,0]=4 103 B11R2.106 C1CNC2C1C(=O)NCC2 AB68642 [0,0,0,2,0,0|2,0,0]=4 104 B11R2.106 C1C[C@H]2C(=O)NCCN2C1 AB52679 [0,0,0,2,0,0|2,0,0]=4 105 B11R2.248 C1C[C@@H]2C[C@H]1CC2CCN AB18507 [0,0,0,2,0,0|1,0,1]=4 106 B11R2.370 C1CC2(C1)C(=O)NCCN2 AB37189 [0,0,0,2,0,0|2,0,0]=4 107 B11R2.36 C1CNC2C1CNC(=O)C2 AB68640 [0,0,0,2,0,0|2,0,0]=4 108 B11R2.1 C1CC(=O)N2[C@@H]1CNCC2 PB26654 [0,0,0,2,0,0|2,0,0]=4 109 B11R2.1 C1CC(=O)N2[C@H]1CNCC2 PB20584 [0,0,0,2,0,0|2,0,0]=4 110 B11R2.1 C1CNC[C@@H]2[C@H]1CNC2=O PB22670 [0,0,0,2,0,0|2,0,0]=4 111 B11R2.1261 C1CCC2(CC1)CCNC2 PB15836 [0,0,0,2,0,0|2,0,0]=4 112 B11R2.63 CN1C2CCC1C(=O)CC2 PB35790 [0,0,0,2,0,0|1,0,0]=3 113 B11R2.459 C1CC(=O)N(C1)C2CNC2 PB38447 [0,0,0,2,0,0|2,0,0]=4