0 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.4 C1CNC(=O)CC1N LS20121 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 C1CC(=O)CNC1 LS20136 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.3 C1CC(=O)CNC1 LS20876 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.3 C1CC(CNC1)O LS20687 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.3 C1CCN(CC1)N LS20693 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.3 C1CCN(CC1)N LS20694 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.3 C1CCS(=O)CC1 LS40520 [1,0,0,0,0,0|1,0,0]=2 9 B7R1.3 C1CNC(=O)CN1 LS20789 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.3 C1CNCCC1Br LS20253 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.3 C1CNCCC1N LS20678 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.3 C1CNCCC1N LS20903 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.3 C1CNCCC1O LS20318 [1,0,0,0,0,0|1,0,2]=4 14 B7R1.3 C1COC(=O)CO1 LS40469 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.3 C1COCC(=O)N1 LS20467 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 C1COCCC1=O LS40242 [1,0,0,0,0,0|1,0,0]=2 17 B7R1.3 C1CSCCC1=O LS40396 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.3 C1C[C@@H](CNC1)N LS30004 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.3 C1C[C@H](CNC1)N LS30290 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 CC1CCCCN1 LS21158 [1,0,0,0,0,0|1,0,1]=3 21 B7R1.3 CN1CCNCC1 LS20947 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.3 C[C@@H]1CNCCN1 LS30176 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 C[C@@H]1CNCCO1 LS30015 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 C[C@@H]1COCCN1 LS30002 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 C[C@@H]1COCCN1 LS30011 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 C[C@H]1CNCCN1 LS30177 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 C[C@H]1CNCCO1 LS30016 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 C[C@H]1COCCN1 LS30012 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 C[C@H]1COCCN1 LS30156 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.2 COC1=CC(=O)CCC1 LS41609 [0,1,0,0,0,0|0,0,2]=3 31 B9R1.34 CC1CC(=O)CC(=O)C1 LS40106 [0,1,0,0,0,0|0,0,1]=2 32 B9R1.66 CC1(CC(=O)CCO1)C LS20174 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.69 C1CC(=O)NC(=O)C1N LS20842 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.69 C1CC(=O)NC(=O)C1N LS20843 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.69 CC1CN(CCC1=O)C LS40400 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,0,1,0,0,0|2,0,0]=3 37 B7R0.2 CCC(C)CC(C)N LS41471 [0,0,1,0,0,0|1,0,1]=3 38 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,0,1,0,0,0|2,0,0]=3 40 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,0,1,0,0,0|2,0,0]=3 41 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,0,1,0,0,0|2,0,0]=3 42 B7R0.4 B(CCCCC)(O)O LS11156 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,0,1,0,0,0|2,0,0]=3 44 B7R0.4 CCCCCC(=O)Cl LS40461 [0,0,1,0,0,0|1,0,0]=2 45 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,0,1,0,0,0|0,0,2]=3 46 B7R0.7 CCOC(=O)CCCl LS40099 [0,0,1,0,0,0|2,0,0]=3 47 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,0,1,0|3,0,0]=4 48 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,0,1,0|1,0,1]=3 49 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,0,0,0,1,0|2,0,0]=3 50 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,0,1,0|2,0,0]=3 51 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,0,1,0|2,0,0]=3 52 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,0,1,0|2,0,0]=3 53 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.48 C1CCC(=O)CC(=O)C1 LS40206 [0,0,0,0,0,1|1,0,1]=3 55 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,0,0,0,0,1|1,0,0]=2 56 B6R0.1 CCOC(=O)CBr LS40563 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.1 CCOC(=O)CF LS40582 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.1 CCOC(=O)OC LS41158 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.2 CC(C)CC(C)N LS41472 [1,0,1,0,0,0|1,0,1]=4 60 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.6 C=CCCCCO LS40909 [1,0,1,0,0,0|1,0,1]=4 64 B6R0.6 COCCCCCl LS00136 [1,0,1,0,0,0|2,0,0]=4 65 B6R1.1 C1CCNCC1 LS20630 [2,0,0,0,0,0|1,0,0]=3 66 B6R1.1 C1CSCCN1 LS20061 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,1,1,0,0,0|2,0,0]=4 68 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,1,1,0,0,0|2,0,0]=4 69 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,1,1,0,0,0|2,0,0]=4 70 B8R0.23 C[C@@H](C(=O)OC(C)C)N LS30131 [0,1,1,0,0,0|1,0,0]=3 71 B8R0.24 CC(C)(C)OC(=O)CBr LS41216 [0,1,1,0,0,0|2,0,0]=4 72 B8R0.24 CC(C)(C)OC(=O)CCl LS41215 [0,1,1,0,0,0|2,0,0]=4 73 B8R0.24 CC(C)(C)OC(=O)CN LS40344 [0,1,1,0,0,0|2,0,0]=4 74 B8R0.7 CC(=O)OCCCCBr LS41690 [0,1,1,0,0,0|1,0,0]=3 75 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.28 CC(C)CCCC(C)N LS41468 [0,1,1,0,0,0|1,0,1]=4 77 B8R0.1 CCOC(=O)CCCCl LS41645 [0,1,1,0,0,0|1,0,0]=3 78 B8R0.1 CCOC(=O)NCCCl LS41685 [0,1,1,0,0,0|2,0,0]=4 79 B8R0.3 CCOC(=O)C(CBr)Br LS40411 [0,1,1,0,0,0|2,0,0]=4 80 B8R1.2 C1CCC(CC1)C=O LS40273 [1,1,0,0,0,0|0,0,1]=3 81 B8R1.2 C1CCC(CC1)CN LS40038 [1,1,0,0,0,0|0,0,1]=3 82 B8R1.2 C1CCN(CC1)C=O LS20491 [1,1,0,0,0,0|1,0,0]=3 83 B8R1.2 C1CCOC(C1)CO LS20884 [1,1,0,0,0,0|1,0,1]=4 84 B8R1.2 C1CNCCC1CN LS21222 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.2 C1COC[C@@H](N1)CO LS00103 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.2 C1COC[C@H](N1)CO LS00102 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.2 C1CO[C@@H](CN1)CO LS30134 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.2 CC[C@@H]1COCCN1 LS30017 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.2 CC[C@H]1COCCN1 LS30018 [1,1,0,0,0,0|2,0,0]=4 90 B8R1.2 CNC1CCCNC1 LS20138 [1,1,0,0,0,0|1,0,0]=3 91 B8R1.2 CSC1CCNCC1 LS20119 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [1,1,0,0,0,0|0,0,2]=4 93 B8R1.3 C1[C@@H](CC[C@H](C1)O)O LS30275 [1,1,0,0,0,0|0,0,2]=4 94 B8R1.3 CN1CCC(=O)CC1 LS20681 [1,1,0,0,0,0|1,0,0]=3 95 B8R1.3 CN1CCC(CC1)N LS20683 [1,1,0,0,0,0|1,0,1]=4 96 B8R1.3 CN1CCC(CC1)O LS40375 [1,1,0,0,0,0|1,0,1]=4 97 B8R1.5 C1CC[C@@H]([C@H](C1)N)N LS30194 [1,1,0,0,0,0|1,0,1]=4 98 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [1,1,0,0,0,0|0,0,2]=4 99 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [1,1,0,0,0,0|0,0,2]=4 100 B8R1.5 C1CC[C@H]([C@@H](C1)N)N LS30059 [1,1,0,0,0,0|1,0,1]=4 101 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [1,1,0,0,0,0|0,0,2]=4 102 B8R1.72 C1CS(=O)(=O)CCN1 LS00030 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.72 CC1(CCNCC1)O LS20682 [1,1,0,0,0,0|1,0,1]=4 104 B8R1.72 CC1(CCNCC1)O LS20905 [1,1,0,0,0,0|1,0,1]=4 105 B8R1.72 C[N+]1(CCCCC1)C LS40575 [1,1,0,0,0,0|1,0,1]=4 106 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,1,0,0,1,0|2,0,0]=4 107 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.329 CC1CC(=O)CC(C1)(C)C LS41328 [0,2,0,0,0,0|0,0,0]=2 109 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.7 C1CNCC1C(=O)O LS20048 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,0,1,1,0,0|2,0,0]=4 112 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,0,1,1,0,0|2,0,0]=4 113 B10R2.71 C1CC2CC(=O)CC1N2 LS41946 [0,0,0,1,0,1|1,0,0]=3 114 B10R2.62 C1CN2CCC1C(=O)C2 LS20486 [0,1,0,1,0,0|1,0,0]=3 115 B6R0.3 CC(=O)N(C)OC LS41178 [0,0,1,0,1,0|2,0,0]=4 116 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,0,1,0,1,0|2,0,0]=4 117 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,0,1,0,1,0|2,0,0]=4 118 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,0,1,0,1,0|2,0,0]=4 119 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,0,1,0|1,0,0]=3 120 B6R1.2 C1CNCC1=O LS20898 [1,0,0,0,1,0|1,0,0]=3 121 B6R1.2 C1CNCC1N LS20700 [1,0,0,0,1,0|2,0,0]=4 122 B6R1.2 C1CNC[C@@H]1O LS30060 [1,0,0,0,1,0|2,0,0]=4 123 B6R1.2 C1CNC[C@@H]1O LS30061 [1,0,0,0,1,0|2,0,0]=4 124 B6R1.2 C1CNC[C@H]1N LS30070 [1,0,0,0,1,0|2,0,0]=4 125 B6R1.2 C1COCC1=O LS21051 [1,0,0,0,1,0|1,0,0]=3 126 B6R1.2 C1COCC1O LS21045 [1,0,0,0,1,0|2,0,0]=4 127 B6R1.2 C1COC[C@@H]1N LS30001 [1,0,0,0,1,0|2,0,0]=4 128 B6R1.2 C1COC[C@@H]1O LS30063 [1,0,0,0,1,0|2,0,0]=4 129 B6R1.2 C1COC[C@H]1O LS30020 [1,0,0,0,1,0|2,0,0]=4 130 B6R1.2 C1COC[C@H]1O LS30064 [1,0,0,0,1,0|2,0,0]=4 131 B6R1.2 C1CSCC1=O LS40268 [1,0,0,0,1,0|1,0,0]=3 132 B6R1.2 CC1=NCCC1 LS20850 [1,0,0,0,1,0|1,0,1]=4