0 B6R0.6 C(CBr)NCCBr LS41604 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 C(CCF)CCF LS40666 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C(CCO)CCF LS40658 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.6 C(CCl)NCCCl LS40789 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.6 C=CCCCCO LS40909 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 COCCCCCl LS00136 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 C(CC#N)CCl LS40416 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 C(CCBr)CBr LS40910 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.2 C(CCF)CF LS40665 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.2 C(CCF)CO LS40657 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.2 C=CCCCBr LS20766 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 COCCCBr LS40222 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.1 C#CCCCCCO LS40112 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.1 C(CCCF)CCF LS40667 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.1 C(CCCF)CCO LS40659 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.1 C(CCCO)CCN LS40173 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.1 C(CCCS)CCO LS40174 [0,1,0,0,0,0|1,1,0]=3 17 B7R0.1 C=CCCCCCCl LS40295 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.4 B(CCCCC)(O)O LS11156 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.7 C(NC(=O)NCO)O LS00085 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.1 C1CNC[C@H]1CO LS30146 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.3 C1CC(CNC1)O LS20687 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.3 C1CNCCC1O LS20318 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 CC1CCCCN1 LS21158 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.3 C[C@H]1COCCN1 LS30012 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.3 C[C@H]1COCCN1 LS30156 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.24 C1CNCCNC1 LS40494 [0,0,0,1,0,0|2,0,0]=3 42 B4R0.2 C(CF)CF LS40664 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.2 C(CN)CBr LS00114 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.2 C(CO)CF LS40656 [2,0,0,0,0,0|1,0,0]=3 45 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|0,0,2]=4 46 B4R0.2 CNCCO LS40382 [2,0,0,0,0,0|0,0,0]=2 47 B4R0.2 COCCBr LS40281 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 B(CCCC)(O)O LS11153 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.4 C(CCCO)CCCF LS40660 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.4 C(CCCO)CCCO LS40221 [0,2,0,0,0,0|1,0,0]=3 51 B8R0.7 B(CCCCCC)(O)O LS11158 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.30 C[N+](C)(CCO)CCO LS40942 [0,2,0,0,0,0|0,0,1]=3 53 B6R1.1 C1CCNCC1 LS20630 [1,0,0,1,0,0|1,0,0]=3 54 B6R1.1 C1CSCCN1 LS20061 [1,0,0,1,0,0|0,1,0]=3 55 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|0,0,2]=4 56 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|0,0,2]=4 57 B6R1.2 C1CNCC1N LS20700 [1,0,0,1,0,0|1,0,0]=3 58 B6R1.2 C1CNC[C@@H]1O LS30060 [1,0,0,1,0,0|0,0,0]=2 59 B6R1.2 C1CNC[C@@H]1O LS30061 [1,0,0,1,0,0|0,0,0]=2 60 B6R1.2 C1CNC[C@H]1N LS30070 [1,0,0,1,0,0|1,0,0]=3 61 B6R1.2 C1COCC1O LS21045 [1,0,0,1,0,0|1,0,0]=3 62 B6R1.2 C1COC[C@@H]1N LS30001 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.2 C1COC[C@@H]1O LS30063 [1,0,0,1,0,0|1,0,0]=3 64 B6R1.2 C1COC[C@H]1O LS30020 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.2 C1COC[C@H]1O LS30064 [1,0,0,1,0,0|1,0,0]=3 66 B6R1.3 COC[C@@H]1CO1 LS30113 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.6 C1CC(C1)CBr LS40121 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.6 C1CC(C1)CN LS40614 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.6 C1CC(C1)CN LS40654 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.6 C1CC(C1)CO LS41574 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.2 C1CCOC(C1)CO LS20884 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.2 C1COC[C@@H](N1)CO LS00103 [0,1,0,1,0,0|0,0,0]=2 73 B8R1.2 C1COC[C@H](N1)CO LS00102 [0,1,0,1,0,0|0,0,0]=2 74 B8R1.2 C1CO[C@@H](CN1)CO LS30134 [0,1,0,1,0,0|0,0,0]=2 75 B8R1.2 CC[C@@H]1COCCN1 LS30017 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.2 CC[C@H]1COCCN1 LS30018 [0,1,0,1,0,0|1,0,0]=3 77 B8R1.2 CNC1CCCNC1 LS20138 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.8 C1CCN(C1)CCN LS20889 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.3 C1[C@@H](CC[C@H](C1)O)O LS30275 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,1,0,1,0,0|1,0,1]=4