0 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,0,0,0,0,0|0,0,4]=4 1 B11R1.25 CCC(=O)OC[C@@H]1CCCO1 CNP0217025.1 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.21 NCCOC[C@@H]1CCCO1 CNP0485618.1 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.21 NCCOC[C@H]1CCCO1 CNP0485618.2 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [1,0,0,0,0,0|0,0,0]=1 7 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.51 CCCC(=O)OCC1CCCO1 CNP0002928.0 [0,1,0,0,0,0|0,0,0]=1 9 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,0,1,0,0,0|1,0,1]=3 10 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,0,1,0,0,0|1,0,1]=3 11 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,0,1,0,0,0|2,0,0]=3 12 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,0,1,0,0,0|3,0,0]=4 13 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,0,1,0,0,0|3,0,0]=4 14 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,0,1,0,0,0|1,0,0]=2 15 B12R2.1858 CC[C@@H]1CC[C@]2(O1)CCCO2 CNP0106414.1 [0,0,0,1,0,0|1,0,2]=4 16 B12R2.1858 CC[C@H]1CC[C@@]2(O1)CCCO2 CNP0106414.3 [0,0,0,1,0,0|1,0,2]=4 17 B12R2.1858 CC[C@H]1CC[C@]2(O1)CCCO2 CNP0106414.2 [0,0,0,1,0,0|1,0,2]=4 18 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,0,0,0,1,0|2,0,0]=3 20 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,0,1,0,0,0|1,0,0]=3 21 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,0,1,0,0,0|1,0,0]=3 22 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [1,0,1,0,0,0|0,0,0]=2 23 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [1,0,1,0,0,0|2,0,0]=4 24 B9R0.43 CCC(CC)COC(=O)C CNP0003350.0 [1,0,1,0,0,0|1,0,0]=3 25 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,0,1,0,0,0|1,0,0]=3 26 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,0,1,0,0,0|2,0,0]=4 27 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [1,0,1,0,0,0|1,0,1]=4 28 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [1,0,1,0,0,0|1,0,1]=4 29 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,1,0,0,0|2,0,0]=4 30 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,0,1,0,0,0|1,0,0]=3 31 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,1,0,0,0|2,0,0]=4 32 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,0,1,0,0,0|1,0,0]=3 33 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,1,0,0,0|1,0,1]=4 34 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,1,0,0,0|1,0,1]=4 35 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [1,0,1,0,0,0|0,0,2]=4 36 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,0,1,0,0,0|1,0,1]=4 37 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,0,1,0,0,0|1,0,0]=3 38 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,0,1,0,0,0|0,0,0]=2 40 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [1,0,1,0,0,0|1,0,1]=4 41 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [1,0,1,0,0,0|2,0,0]=4 42 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [1,0,1,0,0,0|0,0,2]=4 45 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,0,1,0,0,0|2,0,0]=4 46 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [1,0,1,0,0,0|2,0,0]=4 47 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [1,0,1,0,0,0|2,0,0]=4 48 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [2,0,0,0,0,0|0,0,1]=3 49 B11R0.9 CCOC(=O)CCC(OC)OC CNP0278348.0 [0,1,1,0,0,0|2,0,0]=4 50 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,1,1,0,0,0|1,0,1]=4 51 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,1,1,0,0,0|1,0,1]=4 52 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,1,1,0,0,0|1,0,1]=4 53 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,1,1,0,0,0|2,0,0]=4 54 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,1,1,0,0,0|2,0,0]=4 55 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,1,1,0,0,0|1,0,0]=3 56 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,1,1,0,0,0|2,0,0]=4 57 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,1,1,0,0,0|1,0,0]=3 58 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,1,1,0,0,0|2,0,0]=4 59 B11R0.42 CCC=CCCOC(=O)C(C)C CNP0128799.0 [0,1,1,0,0,0|1,0,1]=4 60 B11R0.42 CCC=CCCOC(=O)C(C)O CNP0342153.0 [0,1,1,0,0,0|1,0,1]=4 61 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,1,1,0,0,0|1,0,0]=3 62 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [0,1,1,0,0,0|1,0,0]=3 63 B11R0.187 CCC[C@H](C)C[C@H](C)C(=O)CC CNP0288196.1 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.77 C[C@@H](CC(=O)O)[C@@H]1CCCO1 CNP0360838.3 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.77 C[C@@H](CC(=O)O)[C@H]1CCCO1 CNP0360838.2 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.77 C[C@H](CC(=O)O)[C@@H]1CCCO1 CNP0360838.1 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.77 C[C@H](CC(=O)O)[C@H]1CCCO1 CNP0360838.4 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.31 CCC(=O)C(C)N1CCCC1 CNP0382793.0 [0,1,0,0,1,0|2,0,0]=4 71 B11R1.228 COC(=O)C[C@@H]1CCCN1C CNP0238623.1 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.11 CCC(=O)NC(C)C1CCCCC1 CNP0085876.0 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.42 CCOC(=O)CCC1CCCCC1 CNP0003502.0 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.2039 CCC(=O)OC[C@@H]1COC(O1)(C)C CNP0565225.1 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.2039 CCC(=O)OC[C@H]1COC(O1)(C)C CNP0565225.2 [0,2,0,0,0,0|1,0,0]=3 76 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,0,1,1,0,0|2,0,0]=4 77 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,0,1,1,0,0|2,0,0]=4 78 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [0,0,1,1,0,0|2,0,0]=4 79 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,0,1,1,0,0|1,0,0]=3 80 B11R1.15 C/C=C/[C@H](O)C1CCC(=O)O1 CNP0279920.3 [0,0,1,1,0,0|0,0,2]=4 81 B11R1.15 C/C=C/[C@H](O)[C@@H]1CCC(=O)O1 CNP0279920.2 [0,0,1,1,0,0|0,0,2]=4 82 B11R1.15 C/C=C/[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.1 [0,0,1,1,0,0|0,0,2]=4 83 B11R1.15 CC=C[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.4 [0,0,1,1,0,0|0,0,2]=4 84 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,0,1,1,0,0|1,0,1]=4 85 B11R1.1234 O=C1CCC(CC1)(O)CCO CNP0287987.0 [0,0,1,1,0,0|2,0,0]=4 86 B11R2.748 O=C1CCC2(C1)CCCC2 CNP0107580.0 [1,0,0,1,0,0|2,0,0]=4 87 B13R2.149 CC1=C[C@@H](OC1=O)[C@@H]2CCCN2 CNP0243278.2 [0,1,0,1,0,0|1,0,1]=4 88 B13R2.149 CC1=C[C@H](OC1=O)[C@@H]2CCCN2 CNP0243278.1 [0,1,0,1,0,0|1,0,1]=4 89 B13R2.149 CC1=C[C@H](OC1=O)[C@H]2CCCN2 CNP0243278.3 [0,1,0,1,0,0|1,0,1]=4 90 B13R2.11 O=C1CCC(O1)C2CCC(=O)O2 CNP0368855.0 [0,1,0,1,0,0|0,0,1]=3 91 B13R2.5180 CC1=C2COC(=O)[C@@H]([C@H]2CC1)C CNP0231403.1 [0,1,0,1,0,0|1,0,1]=4 92 B13R2.5180 CC1=C2COC(=O)[C@H]([C@H]2CC1)C CNP0231403.2 [0,1,0,1,0,0|1,0,1]=4 93 B13R2.5180 C[C@@H]1C(=O)OC[C@H]2[C@@H]1CC[C@@H]2C CNP0105742.1 [0,1,0,1,0,0|1,0,0]=3 94 B13R2.5180 C[C@@H]1CC[C@@H]2[C@H]1COC(=O)[C@@H]2C CNP0105742.2 [0,1,0,1,0,0|1,0,0]=3 95 B13R2.5180 C[C@@H]1CC[C@@H]2[C@H]1COC(=O)[C@H]2C CNP0105742.3 [0,1,0,1,0,0|1,0,0]=3 96 B13R2.5180 C[C@H]1CC[C@H]2[C@@H]1COC(=O)[C@@H]2C CNP0105742.4 [0,1,0,1,0,0|1,0,0]=3 97 B13R2.5180 C[C@H]1CC[C@H]2[C@H]1COC(=O)[C@@H]2C CNP0105742.5 [0,1,0,1,0,0|1,0,0]=3 98 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,0,1,0,1,0|1,0,0]=3 99 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,0,1,0,1,0|1,0,0]=3 100 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,0,1,0,1,0|1,0,0]=3 101 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [1,0,0,0,1,0|2,0,0]=4 102 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,0,1,0|1,0,0]=3 103 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,0,1,0|1,0,0]=3 104 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,0,1,0|2,0,0]=4 105 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,0,1,0|1,1,0]=4 106 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [1,0,0,0,1,0|2,0,0]=4 107 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,0,0,0,2,0|1,0,1]=4 108 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,0,0,0,2,0|2,0,0]=4 109 B9R1.80 C=CC(=O)OCC1CO1 CNP0610091.0 [0,0,0,0,2,0|0,0,2]=4 110 B11R1.91 NC(=O)CC[C@@H]1COCCO1 CNP0061677.2 [1,0,0,0,0,1|2,0,0]=4 111 B11R1.91 NC(=O)CC[C@H]1COCCO1 CNP0061677.1 [1,0,0,0,0,1|2,0,0]=4 112 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [1,0,0,0,0,1|2,0,0]=4 113 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [1,0,0,0,0,1|2,0,0]=4