0 B7R1.24 C1CNCCNC1 LS40494 [1,0,0,0,0,0|1,0,1]=3 1 B9R1.48 C1CCC(=O)CC(=O)C1 LS40206 [0,1,0,0,0,0|1,0,1]=3 2 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,1,0,0,0,0|2,0,0]=3 3 B7R0.1 C#CCCCCCO LS40112 [0,0,1,0,0,0|2,0,1]=4 4 B7R0.1 C(CCCF)CCF LS40667 [0,0,1,0,0,0|2,0,1]=4 5 B7R0.1 C(CCCF)CCO LS40659 [0,0,1,0,0,0|1,0,2]=4 6 B7R0.1 C(CCCO)CCN LS40173 [0,0,1,0,0,0|0,0,2]=3 7 B7R0.1 C(CCCS)CCO LS40174 [0,0,1,0,0,0|1,0,2]=4 8 B7R0.1 C=CCCCCCCl LS40295 [0,0,1,0,0,0|2,0,0]=3 9 B7R0.4 B(CCCCC)(O)O LS11156 [0,0,1,0,0,0|2,0,1]=4 10 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,0,1,0,0,0|2,0,0]=3 11 B7R0.4 CCCCCC(=O)Cl LS40461 [0,0,1,0,0,0|1,0,0]=2 12 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,0,1,0,0,0|1,0,1]=3 13 B7R0.7 C(NC(=O)NCO)O LS00085 [0,0,1,0,0,0|3,0,0]=4 14 B7R0.7 CCOC(=O)CCCl LS40099 [0,0,1,0,0,0|2,0,0]=3 15 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,0,0,1,0|1,0,0]=2 16 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,0,0,1,0|1,0,0]=2 17 B7R1.3 C1CC(CNC1)O LS20687 [0,0,0,0,1,0|1,0,2]=4 18 B7R1.3 C1CCN(CC1)N LS20693 [0,0,0,0,1,0|2,0,0]=3 19 B7R1.3 C1CCN(CC1)N LS20694 [0,0,0,0,1,0|2,0,0]=3 20 B7R1.3 C1CCS(=O)CC1 LS40520 [0,0,0,0,1,0|1,0,0]=2 21 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,0,0,1,0|1,0,0]=2 22 B7R1.3 C1CNCCC1Br LS20253 [0,0,0,0,1,0|2,0,1]=4 23 B7R1.3 C1CNCCC1N LS20678 [0,0,0,0,1,0|2,0,1]=4 24 B7R1.3 C1CNCCC1N LS20903 [0,0,0,0,1,0|2,0,1]=4 25 B7R1.3 C1CNCCC1O LS20318 [0,0,0,0,1,0|1,0,2]=4 26 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,0,0,1,0|2,0,0]=3 27 B7R1.3 C1COCC(=O)N1 LS20467 [0,0,0,0,1,0|1,0,0]=2 28 B7R1.3 C1COCCC1=O LS40242 [0,0,0,0,1,0|1,0,0]=2 29 B7R1.3 C1CSCCC1=O LS40396 [0,0,0,0,1,0|1,0,0]=2 30 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,0,0,0,1,0|2,0,1]=4 31 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,0,0,0,1,0|2,0,1]=4 32 B7R1.3 CC1CCCCN1 LS21158 [0,0,0,0,1,0|1,0,1]=3 33 B7R1.3 CN1CCNCC1 LS20947 [0,0,0,0,1,0|3,0,0]=4 34 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,0,0,0,1,0|2,0,1]=4 35 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,0,0,0,1,0|2,0,1]=4 36 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,0,0,0,1,0|2,0,1]=4 37 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,0,0,0,1,0|2,0,1]=4 38 B7R1.3 C[C@H]1COCCN1 LS30012 [0,0,0,0,1,0|2,0,1]=4 39 B7R1.3 C[C@H]1COCCN1 LS30156 [0,0,0,0,1,0|2,0,1]=4 40 B6R0.6 C(CCF)CCF LS40666 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.6 C(CCO)CCF LS40658 [1,0,1,0,0,0|1,0,1]=4 42 B6R0.6 C=CCCCCO LS40909 [1,0,1,0,0,0|1,0,1]=4 43 B6R0.1 CCOC(=O)CBr LS40563 [1,0,1,0,0,0|2,0,0]=4 44 B6R0.1 CCOC(=O)CF LS40582 [1,0,1,0,0,0|2,0,0]=4 45 B6R0.1 CCOC(=O)OC LS41158 [1,0,1,0,0,0|2,0,0]=4 46 B6R0.1 CNC(=O)CC#N LS41677 [1,0,1,0,0,0|1,0,1]=4 47 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,0,1,0,0,0|2,0,0]=4 48 B8R0.7 CC(=O)OCCCCBr LS41690 [0,1,1,0,0,0|2,0,0]=4 49 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,1,1,0,0,0|2,0,0]=4 50 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,1,1,0,0,0|2,0,0]=4 51 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,1,1,0,0,0|2,0,0]=4 52 B8R0.28 CC(C)CCCC(C)N LS41468 [0,1,1,0,0,0|1,0,1]=4 53 B8R1.2 C1CCC(CC1)C=O LS40273 [0,1,0,0,1,0|0,0,1]=3 54 B8R1.2 C1CCC(CC1)CN LS40038 [0,1,0,0,1,0|1,0,1]=4 55 B8R1.2 C1CCN(CC1)C=O LS20491 [0,1,0,0,1,0|1,0,0]=3 56 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [0,1,0,0,1,0|0,0,2]=4 57 B8R1.3 C1[C@@H](CC[C@H](C1)O)O LS30275 [0,1,0,0,1,0|0,0,2]=4 58 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,1,0,0,1,0|1,0,0]=3 59 B8R1.3 CN1CCC(CC1)N LS20683 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.3 CN1CCC(CC1)O LS40375 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,1,0,0,1,0|0,0,2]=4 62 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,0,1,0|0,0,0]=2 63 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,0,1,0|1,0,0]=3 64 B8R1.5 C1CC[C@@H]([C@H](C1)N)N LS30194 [0,1,0,0,1,0|1,0,1]=4 65 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [0,1,0,0,1,0|0,0,2]=4 66 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [0,1,0,0,1,0|0,0,2]=4 67 B8R1.5 C1CC[C@H]([C@@H](C1)N)N LS30059 [0,1,0,0,1,0|1,0,1]=4 68 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [0,1,0,0,1,0|0,0,2]=4 69 B8R1.72 C1CS(=O)(=O)CCN1 LS00030 [0,1,0,0,1,0|2,0,0]=4 70 B8R1.72 C[N+]1(CCCCC1)C LS40575 [0,1,0,0,1,0|2,0,0]=4 71 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,0,1,1,0,0|2,0,0]=4 72 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,0,1,1,0,0|2,0,0]=4 74 B8R1.7 C1CNCC1C(=O)O LS20048 [0,0,1,1,0,0|2,0,0]=4 75 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,0,1,1,0,0|2,0,0]=4 76 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,0,1,1,0,0|2,0,0]=4 77 B10R2.71 C1CC2CC(=O)CC1N2 LS41946 [0,1,0,1,0,0|1,0,0]=3 78 B6R1.1 C1CCNCC1 LS20630 [1,0,0,0,1,0|0,0,0]=2 79 B6R1.1 C1CSCCN1 LS20061 [1,0,0,0,1,0|1,0,0]=3 80 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,0,2,0|1,0,0]=3 81 B6R1.2 C1CNCC1=O LS20898 [0,0,0,0,2,0|1,0,0]=3 82 B6R1.2 C1COCC1=O LS21051 [0,0,0,0,2,0|1,0,0]=3 83 B6R1.2 C1CSCC1=O LS40268 [0,0,0,0,2,0|1,0,0]=3 84 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,0,2,0|1,0,1]=4