0 B6R0.4 B(CCCC)(O)O LS11153 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.4 C=CCCC(=O)O LS41473 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.1 B(CCC)(O)O LS11148 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 C(C#N)C(=O)N LS41191 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|0,0,2]=3 9 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CCC[C@H](C)O LS30258 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.2 C(CC#N)CCl LS40416 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C(CCBr)CBr LS40910 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C(CCF)CF LS40665 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 C(CCF)CO LS40657 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.2 C=CCCCBr LS20766 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 COCCCBr LS40222 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.2 COC(=O)CC(=O)O LS41603 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.4 B(CCCCC)(O)O LS11156 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.4 CCCCCC(=O)Cl LS40461 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,1,0,0,0,0|0,0,0]=1 24 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,1,0,0,0,0|1,0,1]=3 28 B7R0.6 CC(C)CCC(C)N LS41494 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.8 C(CN)CP(=O)(O)O LS40178 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.8 C(CN)CS(=O)(=O)O LS41859 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.8 C(CS(=O)(=O)Cl)CCl LS20768 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.3 C1CC(CNC1)O LS20687 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.3 C1CCS(=O)CC1 LS40520 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 C1COCC(=O)N1 LS20467 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.3 C1COCCC1=O LS40242 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.3 C1CSCCC1=O LS40396 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,0|1,0,0]=2 50 B7R1.14 C1COS(=O)(=O)C1 LS40762 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,0,0,1,0,0|2,0,0]=3 52 B4R0.1 B(CC)(O)O LS11146 [2,0,0,0,0,0|1,0,1]=4 53 B4R0.1 C(C(=O)Cl)Br LS40185 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 C(C(=O)N)I LS41576 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 C(C(=O)[O-])Br LS41065 [2,0,0,0,0,0|1,0,1]=4 56 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.2 C(CF)CF LS40664 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.2 C(CN)CBr LS00114 [2,0,0,0,0,0|1,0,0]=3 60 B4R0.2 C(CO)CF LS40656 [2,0,0,0,0,0|1,0,0]=3 61 B4R0.2 C=CCCBr LS20765 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 CNCCO LS40382 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.1 CCOC(=O)CBr LS40563 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.1 CCOC(=O)CF LS40582 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.1 CCOC(=O)OC LS41158 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.1 COC(=N)CCCl LS40140 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.2 B(CC(C)C)(O)O LS40457 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,1,0,0,0,0|0,0,0]=2 70 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,1,0,0,0,0|0,0,0]=2 71 B6R0.3 B(C(C)CC)(O)O LS11154 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [1,1,0,0,0,0|0,0,2]=4 73 B6R0.3 CCC(=O)C(=O)O LS41883 [1,1,0,0,0,0|0,0,1]=3 74 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [1,1,0,0,0,0|0,0,2]=4 75 B6R0.3 CCN(C)C(=O)Cl LS40081 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [1,1,0,0,0,0|0,0,0]=2 77 B6R0.5 CCCS(=O)(=O)Cl LS40243 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.5 CS(=O)(=O)CCN LS40305 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.6 C(CCO)CCF LS40658 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.6 C=CCCCCO LS40909 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.6 COCCCCCl LS00136 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.19 COC(=O)CC(=O)CCl LS41860 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,2,0,0,0,0|1,0,0]=3 85 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,2,0,0,0,0|1,0,0]=3 86 B8R0.1 CCOC(=O)CCCCl LS41645 [0,2,0,0,0,0|1,0,0]=3 87 B8R0.1 CCOC(=O)NCCCl LS41685 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [0,2,0,0,0,0|1,0,1]=4 89 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [0,2,0,0,0,0|0,0,0]=2 90 B8R0.7 CC(=O)OCCCCBr LS41690 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.28 C(CC(=O)O)CC(=O)O LS41863 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.28 CN(C)C\C=C\C(=O)O LS41142 [0,2,0,0,0,0|0,0,2]=4 93 B8R0.12 CC(C)(CC=C)C(=O)O LS40113 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.29 C(CS(=O)(=O)N)C(=O)O LS41699 [0,2,0,0,0,0|1,0,0]=3 95 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|0,0,0]=2 96 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|1,0,0]=3 97 B6R1.2 C1CNC[C@@H]1O LS30060 [1,0,0,1,0,0|1,0,1]=4 98 B6R1.2 C1CNC[C@@H]1O LS30061 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.2 C1CSCC1=O LS40268 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.2 CC1=NCCC1 LS20850 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.11 B(C1CC1)(O)O LS00024 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.11 C1CC1C(=O)Cl LS40512 [1,0,0,1,0,0|1,0,0]=3 104 B6R1.11 C1CC1C(=O)N LS40035 [1,0,0,1,0,0|1,0,0]=3 105 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|0,0,0]=2 106 B6R1.1 C1CCNCC1 LS20630 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.6 C1CC(C1)CN LS40614 [1,0,0,1,0,0|1,0,1]=4 108 B6R1.6 C1CC(C1)CN LS40654 [1,0,0,1,0,0|1,0,1]=4 109 B6R1.6 C1CC(C1)CO LS41574 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.50 C1CC(=O)N(C1=O)O LS00022 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.7 C1CNCC1C(=O)O LS20048 [0,1,0,1,0,0|0,0,0]=2 121 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.78 C1CC(C1)(C(=O)O)N LS40291 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.78 CC1(COC1)C(=O)O LS40302 [0,1,0,1,0,0|2,0,0]=4