0 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 CN1CCCC(C1)CCN PB33033 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.10 CN1CCCC(C1)CCO PB22676 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.10 CSCC1CNCC(=O)N1 AB37322 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 CSC[C@@H]1CNCC(=O)N1 AB37326 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.10 CSC[C@H]1CNCC(=O)N1 AB37323 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 C1CNC(=O)CC1CN PB30164 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 C1CNC(=O)CC1CO PB18227 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 CCC1CCCC(=O)N1 CB11733 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.2 CCC1COCC(=O)N1 AB56433 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 C1CC(COC1)CCN MB05843 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 C1CCC(CC1)CCN AB02346 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 C1CCC(CC1)CCN AB09885 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 C1CCOC(C1)CC#N MB05835 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.8 C1CCOC(C1)CCN AB28415 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 CCCC1CNCCO1 AB70522 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 CCCC1COCCN1 AB53847 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 CNCC1CCCCO1 AB45928 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 CNCC1COCCO1 AB16898 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 COCC1CCCCN1 MB02439 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.23 CCC(C)N1CCCC(=O)C1 AB39321 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.23 COC(=O)C1CCCC(=O)N1 AB63646 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.24 CSCCC1CNCC(=O)N1 AB37328 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.24 CSCC[C@@H]1CNCC(=O)N1 AB37334 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.24 CSCC[C@H]1CNCC(=O)N1 AB37332 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.157 CC(C)CC1CNCC(=O)N1 AB37316 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.157 CC(C)C[C@@H]1CNCC(=O)N1 AB37319 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.157 CC(C)C[C@H]1CNCC(=O)N1 AB37318 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,0,1,0,0,0|1,0,1]=3 31 B11R2.35 C1CC(=O)CN(C1)C2CC2 AB39325 [0,0,0,1,0,0|2,0,0]=3 32 B11R2.35 C1CC1C2COCC(=O)N2 AB72700 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.36 C1CNC2C1CNC(=O)C2 AB68640 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.106 C1CC2C(=O)NCCN2C1 AB06527 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.106 C1CNC2C1C(=O)NCC2 AB68642 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.106 C1C[C@H]2C(=O)NCCN2C1 AB52679 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.678 C1C2COCC(N2)CC1=O PB16886 [0,0,0,1,0,0|3,0,0]=4 38 B11R2.678 C1C2CSCC(N2)CC1=O PB35186 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.678 C1C[C@@H]2CC(=O)C[C@H](C1)N2 PB14791 [0,0,0,1,0,0|2,0,0]=3 40 B11R2.1478 C1CC2(C1)CNCC(=O)N2 PB38954 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,0,0,0,1,0|2,0,0]=3 42 B9R1.33 CCCN1CCCC1=O AB51341 [0,0,0,0,1,0|1,0,0]=2 43 B9R1.33 CN1CCCC1CCN AB00295 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.33 CN1CCC[C@@H]1CCN PB32997 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.33 CN1CCC[C@H]1CCN PB31004 [0,0,0,0,1,0|3,0,0]=4 46 B8R0.7 B(CCCCCC)(O)O AB08083 [1,0,1,0,0,0|1,0,1]=4 47 B8R1.2 C1CCOC(C1)CBr MB00206 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.2 C1CCOC(C1)CN AB28292 [2,0,0,0,0,0|1,0,1]=4 49 B8R1.2 C1CCOC(C1)CO AB00784 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.2 CCC1CNCCO1 AB49621 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.4 CC1CC(=O)CCN1 PB18889 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.4 CC1CC(=O)CCO1 PB18115 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.4 CC1CNCC(=O)N1 AB37299 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.4 CN1CCCC(=O)C1 AB39316 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [2,0,0,0,0,0|2,0,0]=4 59 B10R0.4 C(COCCOCC(=O)O)N AB66809 [0,1,1,0,0,0|2,0,0]=4 60 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,1,1,0,0,0|1,0,0]=3 61 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,1,1,0,0,0|2,0,0]=4 62 B10R1.113 CC(C)C1CNCC(=O)N1 AB37306 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.113 CC(C)C1COCC(=O)N1 AB72696 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.113 CC(C)N1CCCC(=O)C1 AB39319 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.113 CC(C)[C@@H]1CNCC(=O)N1 AB37312 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.113 CC(C)[C@H]1CNCC(=O)N1 AB37309 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.17 C1CCC(CC1)CCCN AB02348 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.17 CNCCC1CCCCO1 AB28412 [1,1,0,0,0,0|0,0,1]=3 69 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.50 CC[C@H](C)C[C@H]1CNCC(=O)N1 AB37337 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,0,1,1,0,0|1,0,0]=3 72 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)N AB50604 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,0,1,1,0,0|1,0,0]=3 74 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,0,1,1,0,0|1,0,0]=3 75 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,0,1,1,0,0|1,0,0]=3 76 B10R1.61 CN1CCOCC1C(=O)O AB28234 [0,0,1,1,0,0|2,0,0]=4 77 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,0,1,1,0,0|1,0,0]=3 78 B10R1.186 CCCCOC(=O)C1CC1 AB14228 [0,0,1,1,0,0|0,0,0]=2 79 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [1,0,0,1,0,0|1,0,0]=3 80 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [1,0,0,1,0,0|2,0,0]=4 81 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [1,0,0,1,0,0|2,0,0]=4 82 B10R2.534 C1CC12CNCC(=O)N2 PB25711 [1,0,0,1,0,0|2,0,0]=4 83 B10R2.6 C1CC1C2CNCCO2 AB71704 [1,0,0,1,0,0|1,0,1]=4 84 B10R2.484 C1CC2(C1)CCCNC2 PB16417 [1,0,0,1,0,0|2,0,0]=4 85 B10R2.484 C1CC2(C1)CNCCO2 PB16793 [1,0,0,1,0,0|1,0,1]=4 86 B10R2.484 C1CCNC2(C1)CCC2 PB31158 [1,0,0,1,0,0|1,0,1]=4 87 B10R2.484 C1CCNC2(C1)CCC2 PB37563 [1,0,0,1,0,0|1,0,1]=4 88 B10R2.484 C1CCOC2(C1)CNC2 PB15489 [1,0,0,1,0,0|1,0,1]=4 89 B10R2.32 C1CC(=O)C2C1CNC2 PB32434 [0,0,0,1,1,0|2,0,0]=4 90 B10R2.32 C1CC2C(=O)CCN2C1 AB27646 [0,0,0,1,1,0|2,0,0]=4 91 B10R2.41 C1C2COC(C2=O)CN1 PB37278 [0,0,0,1,1,0|2,0,0]=4 92 B10R2.41 C1CC2CNCC1C2=O PB30498 [0,0,0,1,1,0|1,0,0]=3 93 B12R2.594 C1C[C@@H]2CC(=O)NC[C@H](C1)N2 AB65838 [0,0,0,1,0,1|2,0,0]=4 94 B12R2.1081 C1CN2[C@H](CN1)COCC2=O PB28923 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.1081 C1CNC(=O)N2C1CNCC2 MB69113 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.5121 C1CCC2(C1)CNCC(=O)N2 AB72068 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.5121 C1CNCC12CCOC(=O)N2 PB31252 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.5121 C1CNCC12CCOC(=O)N2 PB37380 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.1 C1CC(=O)NC1CN AB28123 [1,0,0,0,1,0|2,0,0]=4 100 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,0,0,0,1,0|2,0,0]=4 101 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,0,0,0,1,0|2,0,0]=4 102 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,0,0,0,1,0|2,0,0]=4 103 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,0,0,0,1,0|2,0,0]=4 104 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,0,0,0,1,0|2,0,0]=4 105 B8R1.8 C1CC(NC1)CCO CB10162 [1,0,0,0,1,0|2,0,0]=4 106 B8R1.8 C1CC(NC1)CCO PB35354 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.8 C1CC(OC1)CC#N MB02666 [1,0,0,0,1,0|1,0,1]=4 108 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,0,1,0|1,0,1]=4 109 B8R1.8 C1CC(OC1)CCI AB76593 [1,0,0,0,1,0|1,0,0]=3 110 B8R1.8 C1CC(OC1)CCN AB30605 [1,0,0,0,1,0|1,0,0]=3 111 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,0,1,0|1,0,1]=4 112 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,0,1,0|1,0,0]=3 113 B8R1.8 COC[C@@H]1CCCN1 PB10025 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.8 COC[C@H]1CCCN1 PB15637 [1,0,0,0,1,0|2,0,0]=4