0 B5R0.2 C(CC#N)CCl LS40416 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 C(CCBr)CBr LS40910 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 C(CCF)CF LS40665 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 C(CCF)CO LS40657 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 C=CCCCBr LS20766 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 COCCC#N LS40792 [0,0,0,0,0,0|0,1,2]=3 6 B5R0.2 COCCCBr LS40222 [0,0,0,0,0,0|1,1,0]=2 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|1,0,0]=2 9 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,1,0]=3 10 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|1,1,0]=3 14 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 COC(=N)CCCl LS40140 [0,1,0,0,0,0|1,1,1]=4 17 B6R0.4 B(CCCC)(O)O LS11153 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.6 C(CBr)NCCBr LS41604 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.6 C(CCF)CCF LS40666 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.6 C(CCO)CCF LS40658 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.6 C(CCl)NCCCl LS40789 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.6 C=CCCCCO LS40909 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.6 COCCCCCl LS00136 [0,1,0,0,0,0|1,1,0]=3 25 B6R1.1 C1CCNCC1 LS20630 [0,0,0,1,0,0|1,0,0]=2 26 B6R1.1 C1CSCCN1 LS20061 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 C1CNCC1N LS20700 [0,0,0,1,0,0|1,0,0]=2 30 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,1,0,0|1,0,0]=2 33 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,1,1]=4 34 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|1,1,0]=3 35 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,1,0,0|0,1,0]=2 36 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|1,1,0]=3 37 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|1,1,0]=3 38 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|1,1,0]=3 39 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|1,0,1]=3 40 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|1,0,1]=3 41 B6R1.3 COC[C@@H]1CO1 LS30113 [0,0,0,1,0,0|1,1,0]=3 42 B6R1.6 C1CC(C1)CBr LS40121 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.6 C1CC(C1)CN LS40614 [0,0,0,1,0,0|1,0,0]=2 44 B6R1.6 C1CC(C1)CN LS40654 [0,0,0,1,0,0|1,0,0]=2 45 B6R1.6 C1CC(C1)CO LS41574 [0,0,0,1,0,0|2,0,0]=3 46 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|1,0,0]=3 47 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,1,0]=4 48 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|0,1,0]=3 49 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|1,0,0]=3 50 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|1,1,0]=4 51 B5R0.1 B(CCC)(O)O LS11148 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(CCO)N LS41893 [1,1,0,0,0,0|0,1,0]=3 53 B5R0.1 CCC[C@@H](C)O LS30259 [1,1,0,0,0,0|1,0,0]=3 54 B5R0.1 CCC[C@H](C)O LS30258 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.1 CN(C)CCCl LS41162 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.1 C[C@@H](CCO)N LS30207 [1,1,0,0,0,0|0,1,0]=3 57 B5R0.1 C[C@H](CCO)N LS30127 [1,1,0,0,0,0|0,1,0]=3 58 B5R0.3 C(C(CO)N)O LS41161 [1,1,0,0,0,0|1,1,0]=4 59 B5R0.3 C([C@@H](CCl)O)N LS30231 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,1,0,0,0,0|1,1,0]=4 61 B5R0.3 C([C@@H](CO)O)N LS30120 [1,1,0,0,0,0|0,1,0]=3 62 B5R0.3 C([C@H](CCl)O)O LS30055 [1,1,0,0,0,0|1,1,0]=4 63 B5R0.3 C([C@H](CO)O)N LS30267 [1,1,0,0,0,0|0,1,0]=3 64 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.2 CCC(C)CC(C)N LS41471 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,2,0,0,0,0|0,1,1]=4 69 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,2,0,0,0,0|0,1,1]=4 70 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.4 B(CCCCC)(O)O LS11156 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.4 CCCCCC(=O)Cl LS40461 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.6 CC(C)CCC(C)N LS41494 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.8 C(CN)CP(=O)(O)O LS40178 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.8 C(CN)CS(=O)(=O)O LS41859 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.1 C#CCCCCCO LS40112 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.1 C(CCCF)CCF LS40667 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.1 C(CCCF)CCO LS40659 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.1 C(CCCO)CCN LS40173 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.1 C(CCCS)CCO LS40174 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.1 C=CCCCCCCl LS40295 [0,2,0,0,0,0|2,0,0]=4 82 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|0,0,2]=4 83 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,0,1]=4 84 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|2,0,0]=4 85 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|1,1,0]=4 86 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|1,0,1]=4 87 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|1,1,0]=4 88 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|1,1,0]=4 89 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|1,1,0]=4 90 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|0,1,0]=3 91 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|0,1,0]=3 92 B7R1.1 C1C=CCC1CO LS40472 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.3 C1CCN(CC1)N LS20693 [0,1,0,1,0,0|1,0,0]=3 103 B7R1.3 C1CCN(CC1)N LS20694 [0,1,0,1,0,0|1,0,0]=3 104 B7R1.3 C1CCS(=O)CC1 LS40520 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.3 C1CNC(=O)CN1 LS20789 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.3 C1CNCCC1Br LS20253 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.3 C1CNCCC1N LS20678 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.3 C1CNCCC1N LS20903 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.3 C1CNCCC1O LS20318 [0,1,0,1,0,0|1,0,0]=3 110 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.3 CC1CCCCN1 LS21158 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.3 CN1CCNCC1 LS20947 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.25 CC1(COC1)CO LS40343 [0,1,0,1,0,0|1,1,0]=4 125 B7R1.24 C1CNCCNC1 LS40494 [0,1,0,1,0,0|1,0,0]=3