0 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.7 CN1CCC(C1)CCN PB18962 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.7 CN1CCC(C1)CCO PB28645 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 C1C(CNC1=O)CN PB10686 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.1 C1CC(=O)NC1CN AB28123 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 C1CC(NC1)CCO CB10162 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.8 C1CC(NC1)CCO PB35354 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.8 C1CC(OC1)CC#N MB02666 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.8 C1CC(OC1)CCI AB76593 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.8 C1CC(OC1)CCN AB30605 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.8 C1CNCC1CCO PB20322 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 C1COCC1CCI AB75456 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 C1COCC1CCN AB45457 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.8 CCO[C@H]1CCNC1 PB29117 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 COCC1CCNC1 PB18902 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.8 COC[C@@H]1CCCN1 PB10025 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.8 COC[C@@H]1CCNC1 PB35406 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.8 COC[C@H]1CCCN1 PB15637 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.8 COC[C@H]1CCNC1 PB35853 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.14 COC(=O)C1CCC(=O)C1 PB20391 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 PB27535 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 PB31918 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 AB08715 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,0,1,0,0,0|3,0,0]=4 38 B8R0.7 B(CCCCCC)(O)O AB08083 [0,0,1,0,0,0|1,0,1]=3 39 B10R2.2 C1C=CC2C1CC(=O)N2 PB36188 [0,0,0,1,0,0|1,0,2]=4 40 B10R2.32 C1CC(=O)C2C1CNC2 PB32434 [0,0,0,1,0,0|2,0,0]=3 41 B10R2.32 C1CC2C(=O)CCN2C1 AB27646 [0,0,0,1,0,0|2,0,0]=3 42 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O PB31139 [0,0,0,1,0,0|3,0,0]=4 43 B10R2.332 C1C(=O)NCC12COC2 PB28536 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.1 CSCC1CNC(=O)CN1 AB37228 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.1 CSC[C@@H]1CNC(=O)CN1 AB37233 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.1 CSC[C@H]1CNC(=O)CN1 AB37230 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,0,0,0,0,1|1,0,0]=2 48 B10R1.10 CSCC1CNCC(=O)N1 AB37322 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.10 CSC[C@@H]1CNCC(=O)N1 AB37326 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.10 CSC[C@H]1CNCC(=O)N1 AB37323 [0,0,0,0,0,1|2,0,0]=3 51 B7R0.1 CNCCCCC=C CB11323 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.3 COC(=O)CCCO AB65249 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.4 B(CCCCC)(O)O AB08098 [1,0,1,0,0,0|1,0,1]=4 54 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,0,1,0,0,0|2,0,0]=4 55 B7R1.1 C1CC(OC1)CI AB24846 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.1 C1CC(OC1)CN AB00408 [2,0,0,0,0,0|1,0,1]=4 57 B7R1.1 CCC1CCCN1 AB12042 [2,0,0,0,0,0|1,0,1]=4 58 B7R1.1 CCC1CCNC1 AB41905 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.1 CC[C@@H]1CCNC1 AB74297 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.2 CN1CCC(=O)C1 PB26542 [2,0,0,0,0,0|2,0,0]=4 61 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,1,1,0,0,0|1,0,1]=4 62 B9R1.132 CN1C(CCC1=O)CO MB69102 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.12 CCCCC1CCCN1 AB12052 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.13 CC(C)C[C@@H]1CCNC1 AB66512 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.13 CC(C)C[C@H]1CCNC1 AB66515 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.1 CSCCC1CNC(=O)CN1 AB37235 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.1 CSCC[C@@H]1CNC(=O)CN1 AB37241 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.1 CSCC[C@H]1CNC(=O)CN1 AB37238 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.20 CC(C)CC1CNC(=O)CN1 AB37219 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.20 CC(C)C[C@@H]1CNC(=O)CN1 AB37224 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.20 CC(C)C[C@H]1CNC(=O)CN1 AB37220 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.22 CCC(C)N1CCC(=O)CC1 AB39315 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.23 CCC(C)N1CCCC(=O)C1 AB39321 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.24 CSCCC1CNCC(=O)N1 AB37328 [0,1,0,0,0,1|1,0,0]=3 75 B11R1.24 CSCC[C@@H]1CNCC(=O)N1 AB37334 [0,1,0,0,0,1|1,0,0]=3 76 B11R1.24 CSCC[C@H]1CNCC(=O)N1 AB37332 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.157 CC(C)CC1CNCC(=O)N1 AB37316 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.157 CC(C)C[C@@H]1CNCC(=O)N1 AB37319 [0,1,0,0,0,1|1,0,0]=3 79 B11R1.157 CC(C)C[C@H]1CNCC(=O)N1 AB37318 [0,1,0,0,0,1|1,0,0]=3 80 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,1,1,0,0|2,0,0]=4 81 B9R1.49 CN1CCCC(CC1)O PB20925 [0,0,1,1,0,0|2,0,0]=4 82 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,0,1,1,0,0|2,0,0]=4 83 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,0,1,1,0,0|2,0,0]=4 84 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,0,1,1,0,0|1,0,1]=4 85 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,0,1,1,0,0|2,0,0]=4 86 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,0,1,1,0,0|1,0,0]=3 87 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,0,1,1,0,0|1,0,0]=3 88 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,0,1,1,0,0|2,0,0]=4 89 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,1,1,0,0|1,0,0]=3 90 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,1,1,0,0|1,0,0]=3 91 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,0,1,1,0,0|2,0,0]=4 92 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,0,1,1,0,0|2,0,0]=4 93 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,0,1,1,0,0|1,0,0]=3 94 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,0,1,1,0,0|2,0,0]=4 95 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,0,1,1,0,0|2,0,0]=4 96 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,0,1,1,0,0|2,0,0]=4 97 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,0,1,1,0,0|2,0,0]=4 98 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,0,1,1,0,0|2,0,0]=4 99 B9R1.6 C1COCCC1C(=O)O PB14093 [0,0,1,1,0,0|1,0,0]=3 100 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,0,1,1,0,0|2,0,0]=4 101 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,0,1,1,0,0|2,0,0]=4 102 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,0,1,1,0,0|2,0,0]=4 103 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,0,1,1,0,0|2,0,0]=4 104 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,0,1,1,0,0|1,0,0]=3 105 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,0,1,1,0,0|2,0,0]=4 106 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,0,1,1,0,0|2,0,0]=4 107 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,0,1,1,0,0|0,0,2]=4 108 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,0,1,1,0,0|2,0,0]=4 109 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,0,1,1,0,0|2,0,0]=4 110 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,0,1,1,0,0|1,0,0]=3 111 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,0,1,1,0,0|0,0,2]=4 112 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,0,1,1,0,0|2,0,0]=4 113 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,0,1,1,0,0|2,0,0]=4 114 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,0,1,1,0,0|1,0,0]=3 115 B9R2.3 C1CC2CCNC2C1 MB13581 [1,0,0,1,0,0|1,0,1]=4 116 B9R2.3 C1CC2CNCC2C1 AB06909 [1,0,0,1,0,0|2,0,0]=4 117 B9R2.3 C1COC2C1CNC2 PB24169 [1,0,0,1,0,0|1,0,1]=4 118 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 PB16219 [1,0,0,1,0,0|2,0,0]=4 119 B9R2.173 C1CC2(C1)CCCN2 PB13614 [1,0,0,1,0,0|1,0,1]=4 120 B9R2.173 C1CC2(C1)CCNC2 PB38158 [1,0,0,1,0,0|2,0,0]=4 121 B9R2.173 C1CC2(CNC2)OC1 PB18332 [1,0,0,1,0,0|1,0,1]=4 122 B9R2.138 C1C(=O)CC12COC2 PB24493 [0,0,0,1,1,0|2,0,0]=4 123 B11R2.34 C1CC1N2CCC(=O)CC2 AB39309 [0,0,0,1,0,1|2,0,0]=4 124 B11R2.36 C1CNC2C1CNC(=O)C2 AB68640 [0,0,0,1,0,1|2,0,0]=4 125 B11R2.742 C1C(=O)NCC2(O1)CNC2 PB37575 [0,0,0,1,0,1|2,0,0]=4 126 B11R2.35 C1CC(=O)CN(C1)C2CC2 AB39325 [0,0,0,1,0,1|2,0,0]=4 127 B11R2.35 C1CC1C2COCC(=O)N2 AB72700 [0,0,0,1,0,1|1,0,0]=3 128 B11R2.106 C1CC2C(=O)NCCN2C1 AB06527 [0,0,0,1,0,1|2,0,0]=4 129 B11R2.106 C1CNC2C1C(=O)NCC2 AB68642 [0,0,0,1,0,1|2,0,0]=4 130 B11R2.106 C1C[C@H]2C(=O)NCCN2C1 AB52679 [0,0,0,1,0,1|2,0,0]=4 131 B11R2.678 C1C2COCC(N2)CC1=O PB16886 [0,0,0,1,0,1|2,0,0]=4 132 B11R2.678 C1C2CSCC(N2)CC1=O PB35186 [0,0,0,1,0,1|2,0,0]=4 133 B11R2.678 C1C[C@@H]2CC(=O)C[C@H](C1)N2 PB14791 [0,0,0,1,0,1|1,0,0]=3 134 B11R2.1478 C1CC2(C1)CNCC(=O)N2 PB38954 [0,0,0,1,0,1|1,0,0]=3 135 B11R2.1 C1CC(=O)N2[C@@H]1CNCC2 PB26654 [0,1,0,1,0,0|1,0,0]=3 136 B11R2.1 C1CC(=O)N2[C@H]1CNCC2 PB20584 [0,1,0,1,0,0|1,0,0]=3 137 B11R2.1 C1CN2[C@@H](CN1)COC2=O PB13189 [0,1,0,1,0,0|2,0,0]=4 138 B11R2.1 C1CN2[C@H](CN1)COC2=O PB23736 [0,1,0,1,0,0|2,0,0]=4 139 B11R2.1 C1CNC[C@@H]2[C@H]1CNC2=O PB22670 [0,1,0,1,0,0|2,0,0]=4 140 B11R2.10 C1CC2C(CC(=O)N2)NC1 AB77336 [0,1,0,1,0,0|1,0,0]=3 141 B11R2.10 C1CNCC2C1CC(=O)N2 AB68649 [0,1,0,1,0,0|1,0,0]=3 142 B11R2.748 C1CNCC12CC(=O)NC2 PB11407 [0,1,0,1,0,0|2,0,0]=4 143 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,0,1,0,1,0|2,0,0]=4 144 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,0,1,0,1,0|2,0,0]=4 145 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,0,1,0|1,0,0]=3 146 B7R1.10 C1C(CC1=O)CBr PB27115 [1,0,0,0,1,0|2,0,0]=4 147 B7R1.10 C1C(CC1=O)CCl PB28331 [1,0,0,0,1,0|2,0,0]=4 148 B7R1.10 C1C(CC1=O)CN PB21511 [1,0,0,0,1,0|2,0,0]=4 149 B7R1.10 C1C(CC1=O)CO PB17805 [1,0,0,0,1,0|2,0,0]=4 150 B7R1.6 C1CC(C1)CCN PB23748 [1,0,0,0,1,0|1,0,1]=4 151 B7R1.6 COCC1CCN1 PB36845 [1,0,0,0,1,0|2,0,0]=4 152 B7R1.6 COC[C@@H]1CCN1 PB36728 [1,0,0,0,1,0|2,0,0]=4 153 B7R1.6 COC[C@H]1CCN1 PB28355 [1,0,0,0,1,0|2,0,0]=4