0 B5R0.2 C(CC#N)CCl LS40416 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C(CCBr)CBr LS40910 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C(CCF)CF LS40665 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C(CCF)CO LS40657 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.2 C=CCCCBr LS20766 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 COCCC#N LS40792 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 COCCCBr LS40222 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 C(CF)CF LS40664 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 C(CN)CBr LS00114 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.4 B(CCCC)(O)O LS11153 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.4 C=CCCC(=O)O LS41473 [0,1,0,0,0,0|0,0,2]=3 19 B6R0.6 C(CBr)NCCBr LS41604 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.6 C(CCF)CCF LS40666 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.6 C(CCO)CCF LS40658 [0,1,0,0,0,0|0,0,2]=3 22 B6R0.6 C(CCl)NCCCl LS40789 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.6 C=CCCCCO LS40909 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.6 COCCCCCl LS00136 [0,1,0,0,0,0|1,0,1]=3 25 B6R1.1 C1CCNCC1 LS20630 [0,0,0,1,0,0|1,0,1]=3 26 B6R1.1 C1CSCCN1 LS20061 [0,0,0,1,0,0|1,1,1]=4 27 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|1,0,0]=2 28 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|1,0,0]=2 29 B6R1.2 C1CNCC1N LS20700 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,1,0,0|1,0,2]=4 32 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,0,0]=2 34 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|1,0,2]=4 35 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|1,0,2]=4 37 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|1,0,2]=4 38 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|1,0,2]=4 39 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|1,0,0]=2 40 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.3 COC[C@@H]1CO1 LS30113 [0,0,0,1,0,0|1,0,2]=4 42 B6R1.6 C1CC(C1)CBr LS40121 [0,0,0,1,0,0|1,0,1]=3 43 B6R1.6 C1CC(C1)CN LS40614 [0,0,0,1,0,0|1,0,1]=3 44 B6R1.6 C1CC(C1)CN LS40654 [0,0,0,1,0,0|1,0,1]=3 45 B6R1.6 C1CC(C1)CO LS41574 [0,0,0,1,0,0|0,0,2]=3 46 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|2,0,0]=4 47 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,0,1]=4 48 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,0,1]=4 49 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 50 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 B(CCC)(O)O LS11148 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.1 C(C#N)C(=O)N LS41191 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,1,0,0,0,0|1,0,0]=3 54 B5R0.1 C(CO)C(=O)O LS40008 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.1 CC#CC(=O)O LS40078 [1,1,0,0,0,0|0,0,2]=4 57 B5R0.1 CC(CCO)N LS41893 [1,1,0,0,0,0|0,0,1]=3 58 B5R0.1 CCC[C@@H](C)O LS30259 [1,1,0,0,0,0|0,0,1]=3 59 B5R0.1 CCC[C@H](C)O LS30258 [1,1,0,0,0,0|0,0,1]=3 60 B5R0.1 CN(C)CCCl LS41162 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.1 C[C@@H](CCO)N LS30207 [1,1,0,0,0,0|0,0,1]=3 62 B5R0.1 C[C@H](CCO)N LS30127 [1,1,0,0,0,0|0,0,1]=3 63 B5R0.3 C(C(CO)N)O LS41161 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.3 C([C@@H](CCl)O)N LS30231 [1,1,0,0,0,0|2,0,0]=4 65 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.3 C([C@@H](CO)O)N LS30120 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.3 C([C@H](CCl)O)O LS30055 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.3 C([C@H](CO)O)N LS30267 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|0,0,1]=3 71 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|0,0,1]=3 72 B7R0.2 CCC(C)CC(C)N LS41471 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.2 COC(=O)CC(=O)O LS41603 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|0,0,0]=2 76 B7R0.4 B(CCCCC)(O)O LS11156 [0,2,0,0,0,0|0,0,2]=4 77 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,2,0,0,0,0|0,0,0]=2 78 B7R0.4 CCCCCC(=O)Cl LS40461 [0,2,0,0,0,0|0,0,0]=2 79 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|0,0,1]=3 80 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,2,0,0,0,0|0,0,2]=4 81 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|0,0,1]=3 84 B7R0.6 CC(C)CCC(C)N LS41494 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.8 C(CN)CP(=O)(O)O LS40178 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.8 C(CN)CS(=O)(=O)O LS41859 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.8 C(CS(=O)(=O)Cl)CCl LS20768 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.1 C#CCCCCCO LS40112 [0,2,0,0,0,0|0,0,2]=4 89 B7R0.1 C(CCCF)CCF LS40667 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.1 C(CCCF)CCO LS40659 [0,2,0,0,0,0|0,0,2]=4 91 B7R0.1 C(CCCO)CCN LS40173 [0,2,0,0,0,0|0,0,2]=4 92 B7R0.1 C(CCCS)CCO LS40174 [0,2,0,0,0,0|0,0,2]=4 93 B7R0.1 C=CCCCCCCl LS40295 [0,2,0,0,0,0|1,0,0]=3 94 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,1]=4 95 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,0,0]=3 96 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,0,0]=3 97 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|1,0,1]=4 98 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|2,0,0]=4 99 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,0,0]=2 100 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|1,0,1]=4 101 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|1,0,1]=4 102 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|1,0,1]=4 103 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|0,0,1]=3 104 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|0,0,1]=3 105 B7R1.1 C1C=CCC1CO LS40472 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,1,0,0|0,0,0]=2 107 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,1,0,0|0,0,2]=4 108 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,1,0,0|0,0,2]=4 109 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,1,0,1,0,0|0,0,2]=4 110 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,1,0,1,0,0|0,0,2]=4 111 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|0,0,1]=3 113 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,1,0,0|0,0,0]=2 118 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,1,0,0|0,0,0]=2 119 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,1,0,0|0,0,2]=4 120 B7R1.3 C1CCN(CC1)N LS20693 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.3 C1CCN(CC1)N LS20694 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.3 C1CCS(=O)CC1 LS40520 [0,1,0,1,0,0|0,0,1]=3 123 B7R1.3 C1CNC(=O)CN1 LS20789 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.3 C1CNCCC1Br LS20253 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.3 C1CNCCC1N LS20678 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.3 C1CNCCC1N LS20903 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.3 C1CNCCC1O LS20318 [0,1,0,1,0,0|0,0,2]=4 128 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.3 C1COCCC1=O LS40242 [0,1,0,1,0,0|0,0,0]=2 131 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|0,0,0]=2 132 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.3 CC1CCCCN1 LS21158 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.3 CN1CCNCC1 LS20947 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,1,0,1,0,0|0,0,2]=4 138 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,1,0,0|1,0,1]=4 140 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,1,0,1,0,0|1,0,1]=4 141 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,1,0,1,0,0|0,0,2]=4 142 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.14 C1COS(=O)(=O)C1 LS40762 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.24 C1CNCCNC1 LS40494 [0,1,0,1,0,0|1,0,1]=4