0 B7R0.4 B(CCCCC)(O)O LS11156 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CCCCCC(=O)Cl LS40461 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,0,0,0,0,0|2,0,2]=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|1,0,2]=4 10 B6R0.6 C=CCCCCO LS40909 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 COCCCCCl LS00136 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.5 CCOC(=O)CC(=O)Cl LS40576 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.5 CCOC(=O)CC(=O)[O-] LS40579 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.7 B(CCCCCC)(O)O LS11158 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.7 CC(=O)OCCCCBr LS41690 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.28 C(CC(=O)O)CC(=O)O LS41863 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.28 CC(C)CCCC(C)N LS41468 [0,1,0,0,0,0|1,0,1]=3 21 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.4 C1CNC(=O)CC1N LS20121 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.7 B(C1CCCC1)(O)O LS11157 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.7 C1CNCC1C(=O)O LS20048 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.72 C1CS(=O)(=O)CCN1 LS00030 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.72 CC1(CCNCC1)O LS20682 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.72 CC1(CCNCC1)O LS20905 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.72 C[N+]1(CCCCC1)C LS40575 [0,0,0,1,0,0|2,0,0]=3 36 B5R0.1 C(CCl)C(=O)Cl LS40026 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 C(CO)C(=O)O LS40008 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 CCC[C@@H](C)O LS30259 [2,0,0,0,0,0|0,0,2]=4 39 B5R0.1 CCC[C@H](C)O LS30258 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.2 C(CCBr)CBr LS40910 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.2 C(CCF)CF LS40665 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.2 C(CCF)CO LS40657 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.2 C=CCCCBr LS20766 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.2 COCCCBr LS40222 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.2 CCC(C)CC(C)N LS41471 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.5 C(CN)C(C(=O)O)N LS40104 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.6 CC(=O)CCC(=O)O LS41171 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.6 CC(C)CCC(C)N LS41494 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.1 C#CCCCCCO LS40112 [1,1,0,0,0,0|0,0,2]=4 51 B7R0.1 C(CCCF)CCF LS40667 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.1 C(CCCF)CCO LS40659 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.1 C(CCCO)CCN LS40173 [1,1,0,0,0,0|0,0,2]=4 54 B7R0.1 C(CCCS)CCO LS40174 [1,1,0,0,0,0|0,0,2]=4 55 B7R0.1 C=CCCCCCCl LS40295 [1,1,0,0,0,0|0,0,1]=3 56 B9R0.6 CCOC(=O)C(C(=O)C)F LS40406 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.6 CCOC(=O)C(C)C(=O)C LS40327 [0,2,0,0,0,0|1,0,1]=4 58 B9R0.34 COCC(=O)CC(=O)OC LS41141 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.46 CCOCCOC(=O)C=C LS41687 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.2 C(CCCBr)CCC(=O)O LS40309 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.2 CCCCCCOC(=O)Cl LS41130 [0,2,0,0,0,0|1,0,0]=3 62 B7R1.2 C1CC(=O)CC1=O LS41637 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.2 C1[C@@H](COC1=O)O LS30540 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 C1CC(=O)CNC1 LS20136 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.3 C1CC(=O)CNC1 LS20876 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.3 C1CCN(CC1)N LS20693 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 C1CCN(CC1)N LS20694 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 C1CCS(=O)CC1 LS40520 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.3 C1CNC(=O)CN1 LS20789 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.3 C1COC(=O)CO1 LS40469 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C1COCC(=O)N1 LS20467 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 C1COCCC1=O LS40242 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.3 C1CSCCC1=O LS40396 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.3 CC1CCCCN1 LS21158 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.18 C1C(CN1)C(=O)O LS41152 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.1 C1C=CCC1CO LS40472 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.1 C1CCC(C1)C=O LS41696 [1,0,0,1,0,0|0,0,0]=2 82 B7R1.1 C1CNC[C@@H]1CO LS30145 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.1 C1CNC[C@H]1CO LS30146 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.4 C1COC(=O)C1Br LS40518 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.24 C1CNCCNC1 LS40494 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.34 CC1CC(=O)CC(=O)C1 LS40106 [0,1,0,1,0,0|0,0,1]=3 87 B9R1.48 C1CCC(=O)CC(=O)C1 LS40206 [0,1,0,1,0,0|0,0,1]=3 88 B9R1.66 CC1(CC(=O)CCO1)C LS20174 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.1 CCN1CCC(=O)CC1 LS21102 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.1 COC1CCC(=O)CC1 LS40609 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.2 COC1=CC(=O)CCC1 LS41609 [0,1,0,1,0,0|0,0,2]=4 92 B9R1.11 COC(=O)C1=CCCC1 LS20758 [0,1,0,1,0,0|0,0,2]=4 93 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.6 C1CC(CNC1)C(=O)O LS20781 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.6 C1CCNC(C1)C(=O)O LS20780 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.6 C1CCN[C@@H](C1)C(=O)O LS30195 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.6 C1CNCCC1C(=O)N LS20797 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.6 C1CNCCC1C(=O)O LS20782 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.6 C1C[C@@H](CC=C1)C(=O)O LS00083 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,1,0,1,0,0|2,0,0]=4