0 B6R0.1 CCOC(=O)CBr LS40563 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.1 CCOC(=O)CF LS40582 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.1 CCOC(=O)OC LS41158 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.1 CNC(=O)CC#N LS41677 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 COC(=N)CCCl LS40140 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.4 B(CCCC)(O)O LS11153 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 C=CCCC(=O)O LS41473 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.6 C(CCF)CCF LS40666 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 C(CCO)CCF LS40658 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 COCCCCCl LS00136 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCOC(=O)CCCCl LS41645 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.1 CCOC(=O)NCCCl LS41685 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.19 COC(=O)CC(=O)CCl LS41860 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 C1CCC(CC1)CN LS40038 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 C1CCOC(C1)CO LS20884 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.2 CCN1CCNCC1 LS20285 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.2 CC[C@@H]1COCCN1 LS30017 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 CC[C@H]1COCCN1 LS30018 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.3 C1[C@@H](CC[C@H](C1)O)O LS30275 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.3 CN1CCC(CC1)N LS20683 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.3 CN1CCC(CC1)O LS40375 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.3 CN1CCN(CC1)N LS20698 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.5 C1CC[C@@H]([C@H](C1)N)N LS30194 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.5 C1CC[C@H]([C@@H](C1)N)N LS30059 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.52 CCC1(CCCC1)O LS41625 [0,0,0,1,0,0|0,0,2]=3 38 B8R1.52 CC[N+]1(CCCC1)C LS40606 [0,0,0,1,0,0|2,0,0]=3 39 B5R0.1 C(CCl)C(=O)Cl LS40026 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 C(CO)C(=O)O LS40008 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CCC[C@@H](C)O LS30259 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.1 CCC[C@H](C)O LS30258 [2,0,0,0,0,0|0,0,2]=4 43 B5R0.2 C(CCBr)CBr LS40910 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.2 C(CCF)CF LS40665 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 C(CCF)CO LS40657 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 C=CCCCBr LS20766 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.2 COCCCBr LS40222 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 C(C(=O)CO)O LS41177 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 COC(=O)CBr LS40562 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 COC(=O)CF LS40581 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.2 CC(C)NC(=O)CBr LS40529 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.2 CCC(C)CC(C)N LS41471 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.7 CCOC(=O)CCCl LS40099 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.11 CCCS(=O)(=O)OC LS41895 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.4 CCCCCC(=O)Cl LS40461 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.4 CCC\C=C\C(=O)C LS41924 [1,1,0,0,0,0|0,0,1]=3 63 B7R0.6 CC(=O)CCC(=O)O LS41171 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.6 CC(C)CCC(C)N LS41494 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.1 C(CCCF)CCF LS40667 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.1 C(CCCF)CCO LS40659 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.1 C(CCCO)CCN LS40173 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.1 C(CCCS)CCO LS40174 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.5 CCO\C=C\C(=O)OCC LS40219 [0,2,0,0,0,0|0,0,2]=4 70 B9R0.34 CCOC(=O)CC(CCl)O LS40616 [0,2,0,0,0,0|1,0,0]=3 71 B9R0.34 CCOC(=O)C[C@@H](CCl)O LS30197 [0,2,0,0,0,0|1,0,0]=3 72 B9R0.34 CCOC(=O)C[C@H](CCl)O LS30133 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.34 COCC(=O)CC(=O)OC LS41141 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.23 CC(C)C[C@@H](C(=O)OC)N LS30189 [0,2,0,0,0,0|1,0,0]=3 75 B9R0.46 CCOCCOC(=O)C=C LS41687 [0,2,0,0,0,0|0,0,2]=4 76 B9R0.26 COC(CC(=O)OC)OC LS40294 [0,2,0,0,0,0|2,0,0]=4 77 B7R1.2 C1CC(=O)CC1=O LS41637 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.2 C1[C@@H](COC1=O)O LS30540 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.3 C1CC(=O)CNC1 LS20136 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.3 C1CC(=O)CNC1 LS20876 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.3 C1CCN(CC1)N LS20693 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 C1CCN(CC1)N LS20694 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.3 C1CCS(=O)CC1 LS40520 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.3 C1CNC(=O)CN1 LS20789 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 C1COC(=O)CO1 LS40469 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 C1COCC(=O)N1 LS20467 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.3 C1COCCC1=O LS40242 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 C1CSCCC1=O LS40396 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.4 C1COC(=O)C1Br LS40518 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.18 C1C(CN1)C(=O)O LS41152 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.24 C1CNCCNC1 LS40494 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.8 C1CCNC(C1)CCO LS21152 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.12 CCCCN1CCCC1 LS20142 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.33 CCCN1CCCC1=O LS40501 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.48 C1CCC(=O)CC(=O)C1 LS40206 [0,1,0,1,0,0|0,0,1]=3 100 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,1,0,1,0,0|0,0,0]=2 101 B9R1.69 CC1CN(CCC1=O)C LS40400 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.11 COC(=O)C1=CCCC1 LS20758 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.1 CCN1CCC(=O)CC1 LS21102 [0,1,0,1,0,0|0,0,0]=2 104 B9R1.1 CCN1CCC(CC1)O LS20906 [0,1,0,1,0,0|0,0,2]=4 105 B9R1.1 COC1CCC(=O)CC1 LS40609 [0,1,0,1,0,0|0,0,0]=2 106 B9R1.138 CC1(CNC(=O)C1O)C LS40982 [0,1,0,1,0,0|2,0,0]=4