0 B11R2.204 C=C1[C@@H]2CC[C@@H](C2)C1(C)C CNP0256268.1 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.204 C=C1[C@@H]2CC[C@H](C2)C1(C)C CNP0256268.4 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.204 C=C1[C@H]2CC[C@@H](C2)C1(C)C CNP0256268.3 [0,0,0,0,0,0|0,0,0]=0 3 B11R2.204 C=C1[C@H]2CC[C@H](C2)C1(C)C CNP0256268.2 [0,0,0,0,0,0|0,0,0]=0 4 B11R2.204 C=C1[C@H]2CC[C@H](C2)[C@]1(C)O CNP0157546.1 [0,0,0,0,0,0|1,0,0]=1 5 B11R2.204 CC1(C(=O)[C@H]2CC[C@@H]1C2)C CNP0388569.1 [0,0,0,0,0,0|1,0,0]=1 6 B11R2.204 C[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C CNP0323638.1 [0,0,0,0,0,0|0,0,2]=2 7 B11R2.204 C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@]1(C)O CNP0164307.2 [0,0,0,0,0,0|1,0,2]=3 8 B11R2.204 C[C@H]1[C@@H]2CC[C@@H](C2)C1(C)C CNP0323638.2 [0,0,0,0,0,0|0,0,2]=2 9 B11R2.204 C[C@H]1[C@H]2CC[C@H](C2)[C@]1(C)O CNP0164307.1 [0,0,0,0,0,0|1,0,2]=3 10 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [1,0,0,0,0,0|0,0,2]=3 11 B10R2.28 CC1(CC2CCC1C2)O CNP0489995.0 [1,0,0,0,0,0|1,0,1]=3 12 B12R2.509 C=C1C([C@@H]2CC[C@]1(C2)C)(C)C CNP0093869.1 [0,1,0,0,0,0|0,0,0]=1 13 B12R2.509 CC1(C(=O)[C@@]2(CCC1C2)C)C CNP0253819.6 [0,1,0,0,0,0|1,0,0]=2 14 B12R2.509 CC1(C(=O)[C@@]2(CC[C@@H]1C2)C)C CNP0253819.5 [0,1,0,0,0,0|1,0,0]=2 15 B12R2.509 CC1(C(=O)[C@@]2(CC[C@H]1C2)C)C CNP0253819.2 [0,1,0,0,0,0|1,0,0]=2 16 B12R2.509 CC1(C(=O)[C@]2(CCC1C2)C)C CNP0253819.1 [0,1,0,0,0,0|1,0,0]=2 17 B12R2.509 CC1(C(=O)[C@]2(CC[C@@H]1C2)C)C CNP0253819.4 [0,1,0,0,0,0|1,0,0]=2 18 B12R2.509 CC1(C(=O)[C@]2(C[CH][C@@H]1C2)C)C CNP0598103.1 [0,1,0,0,0,0|1,0,1]=3 19 B12R2.509 CC1(C([C@]2(CC[C@@H]1C2)C)O)C CNP0140485.3 [0,1,0,0,0,0|1,0,1]=3 20 B12R2.509 CC1([C@@H]2CC[C@@](C2)([C@@H]1O)C)C CNP0140485.1 [0,1,0,0,0,0|1,0,1]=3 21 B12R2.509 CC1([C@@H]2CC[C@@](C2)([C@H]1O)C)C CNP0140485.5 [0,1,0,0,0,0|1,0,1]=3 22 B12R2.509 CC1([C@H]2CC[C@](C2)([C@@H]1O)C)C CNP0140485.4 [0,1,0,0,0,0|1,0,1]=3 23 B12R2.509 CC1([C@H]2CC[C@](C2)([C@H]1O)C)C CNP0140485.7 [0,1,0,0,0,0|1,0,1]=3 24 B12R2.509 CC12CCC(C1)C([C@@H]2O)(C)C CNP0140485.8 [0,1,0,0,0,0|1,0,1]=3 25 B12R2.509 CC12CC[C@@H](C1)C([C@@H]2O)(C)C CNP0140485.2 [0,1,0,0,0,0|1,0,1]=3 26 B12R2.509 CC12CC[C@H](C1)C(C2=O)(C)C CNP0253819.3 [0,1,0,0,0,0|1,0,0]=2 27 B12R2.509 CC12CC[C@H](C1)C([C@@H]2O)(C)C CNP0140485.6 [0,1,0,0,0,0|1,0,1]=3 28 B12R2.700 C=C1[C@H]2CC[C@H]([C@@H]2O)C1(C)C CNP0345999.1 [0,1,0,0,0,0|0,0,0]=1 29 B12R2.1012 C=C1C2CC(=O)C(C2)C1(C)C CNP0498728.0 [0,1,0,0,0,0|0,0,1]=2 30 B12R2.1012 C=C1C2CC(C(C2)C1(C)C)O CNP0579104.0 [0,1,0,0,0,0|0,0,0]=1 31 B12R2.1146 C=C1C2CC(C1(C)C)CC2=O CNP0518491.0 [0,1,0,0,0,0|0,0,1]=2 32 B12R2.1146 C=C1[C@@H]2C[C@H](C1(C)C)C[C@H]2O CNP0187821.1 [0,1,0,0,0,0|0,0,0]=1 33 B12R2.1146 C=C1[C@H]2C[C@@H](C1(C)C)C[C@@H]2O CNP0187821.3 [0,1,0,0,0,0|0,0,0]=1 34 B12R2.1146 C=C1[C@H]2C[C@@H](C1(C)C)C[C@H]2O CNP0187821.2 [0,1,0,0,0,0|0,0,0]=1 35 B12R2.1146 CC1C2CC(C1(C)C)CC2=O CNP0079868.0 [0,1,0,0,0,0|0,0,3]=4 36 B12R2.2264 CC1([C@@H]2CC[C@@H](C2)[C@@H]1CO)C CNP0226492.2 [0,1,0,0,0,0|0,0,2]=3 37 B12R2.2264 CC1([C@@H]2CC[C@@H](C2)[C@H]1CO)C CNP0226492.1 [0,1,0,0,0,0|0,0,2]=3 38 B12R2.2361 CC1([C@H]2CC[C@H](C2)[C@]1(C)O)C CNP0144769.1 [0,1,0,0,0,0|0,0,2]=3 39 B12R2.4015 C=C1C2CCC(C2)C1(C)C=O CNP0501143.0 [0,1,0,0,0,0|0,0,1]=2 40 B10R1.301 C=C1C(=CCCC1(C)C)C CNP0330496.0 [0,0,1,0,0,0|0,0,2]=3 41 B10R1.301 CC1=CCCC(C1=O)(C)C CNP0037494.0 [0,0,1,0,0,0|1,0,2]=4 42 B10R1.301 C[C@@H]1CCCC(C1=O)(C)C CNP0229398.1 [0,0,1,0,0,0|1,0,0]=2 43 B10R1.301 C[C@H]1CCCC(C1=O)(C)C CNP0229398.2 [0,0,1,0,0,0|1,0,0]=2 44 B12R3.4045 CC1(C2C[C@H]3C1([C@H]3C2)C)C CNP0239140.3 [0,0,0,1,0,0|0,0,2]=3 45 B12R3.4045 CC1([C@@H]2C[C@H]3[C@@]1([C@H]3C2)C)C CNP0239140.2 [0,0,0,1,0,0|0,0,2]=3 46 B12R3.4045 CC1([C@H]2C[C@H]3[C@@]1([C@H]3C2)C)C CNP0239140.1 [0,0,0,1,0,0|0,0,2]=3 47 B12R3.4068 CC1([C@H]2CC[C@@H]3[C@H]2[C@]13C)C CNP0313607.1 [0,0,0,1,0,0|0,0,2]=3 48 B10R2.591 C=C1C2CC(C2)C1(C)C CNP0350364.0 [0,0,0,0,1,0|0,0,0]=1 49 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [1,0,1,0,0,0|1,0,1]=4 50 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [1,0,1,0,0,0|1,0,0]=3 51 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [1,0,1,0,0,0|1,0,1]=4 52 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [1,0,1,0,0,0|0,0,2]=4 53 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [1,0,1,0,0,0|1,0,1]=4 54 B9R1.3 C[C@@H]1CCC[C@H](N1C)C CNP0376276.1 [1,0,1,0,0,0|1,0,1]=4 55 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [1,0,1,0,0,0|0,0,2]=4 56 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [1,0,1,0,0,0|0,0,1]=3 57 B9R1.138 C=C1N(CNC1(C)C)C CNP0173154.0 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [1,0,1,0,0,0|0,0,2]=4 59 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [1,0,1,0,0,0|1,0,1]=4 60 B9R1.66 C[C@H]1CCCC(C1)(C)C CNP0230826.1 [1,0,1,0,0,0|0,0,1]=3 61 B9R1.37 C[C@H]1[C@@H]([C@H](C[C@@H]1C)C)C CNP0315068.1 [1,0,1,0,0,0|0,0,2]=4 62 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.173 CC(C)(C(=O)O)N1CCCC1 CNP0564721.0 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.417 C=C[C@@]1(CC[C@@H](O1)C(C)C)C CNP0235569.3 [0,1,1,0,0,0|1,0,0]=3 65 B11R1.417 C=C[C@]1(CC[C@@H](O1)C(C)C)C CNP0235569.1 [0,1,1,0,0,0|1,0,0]=3 66 B11R1.417 C=C[C@]1(CC[C@H](O1)C(C)C)C CNP0235569.2 [0,1,1,0,0,0|1,0,0]=3 67 B11R1.417 C=C[C@]1(CC[C@H](O1)[C@H](C)O)C CNP0221618.1 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.126 CC1=CC[C@@H](C1(C)C)CCO CNP0303232.1 [0,1,1,0,0,0|0,0,2]=4 69 B11R1.370 C=C1N(CN(C1(C)C)CC)C CNP0345324.0 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.325 CC1=C(C(C[C@@H](C1)O)(C)C)C CNP0426650.1 [0,1,1,0,0,0|0,0,2]=4 71 B11R1.325 C[C@@H]1CC(=O)CC(C1=O)(C)C CNP0253574.2 [0,1,1,0,0,0|1,0,1]=4 72 B11R1.325 C[C@@H]1C[C@H](CC(C1=O)(C)C)O CNP0422029.1 [0,1,1,0,0,0|1,0,0]=3 73 B11R1.325 C[C@H]1CC(=O)CC(C1=O)(C)C CNP0253574.1 [0,1,1,0,0,0|1,0,1]=4 74 B11R1.424 C=CC1=C(CCCC1(C)C)C CNP0165975.0 [0,1,1,0,0,0|0,0,1]=3 75 B11R1.424 CC1=C(C(CCC1)(C)C)C=O CNP0108027.0 [0,1,1,0,0,0|0,0,1]=3 76 B11R1.424 CC1=C(C(CCC1)(C)C)CO CNP0515887.0 [0,1,1,0,0,0|0,0,2]=4 77 B11R1.424 CC1CCCC(C1C=O)(C)C CNP0502329.0 [0,1,1,0,0,0|0,0,1]=3 78 B11R1.424 CC[C@@H]1[C@H](CCCC1(C)C)C CNP0271938.1 [0,1,1,0,0,0|0,0,2]=4 79 B11R1.424 C[C@H]\1CCCC(/C1=N\O)(C)C CNP0157841.1 [0,1,1,0,0,0|1,0,0]=3 80 B11R1.424 [13CH3][13C]1=[13C]([13C]([13CH2][13CH2][13CH2]1)([13CH3])[13CH3])[13CH]=O CNP0520746.0 [0,1,1,0,0,0|0,0,1]=3 81 B11R1.1322 CC1(CCCC(C1O)(C)O)C CNP0611354.0 [0,1,1,0,0,0|1,0,1]=4 82 B11R1.1322 CC1(CCC[C@@](C1=O)(C)O)C CNP0220798.1 [0,1,1,0,0,0|1,0,0]=3 83 B11R1.1322 CC1(CNCC(C1=O)(C)C)C CNP0159948.0 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.1322 CN1C(CCCC1(C)C)(C)C CNP0341921.0 [0,1,1,0,0,0|1,0,1]=4 85 B11R2.738 CC1=C([C@@H]2C[C@H]1C[C@H]2O)C CNP0215265.1 [1,1,0,0,0,0|0,0,2]=4 86 B11R2.684 C=C1C[C@@H]2C[C@H]1CC2(C)C CNP0266797.2 [1,1,0,0,0,0|0,0,2]=4 87 B11R2.684 C=C1C[C@H]2C[C@@H]1CC2(C)C CNP0266797.1 [1,1,0,0,0,0|0,0,2]=4 88 B11R2.1530 CC1(C[C@]2(CC[C@@H]1C2)C)C CNP0273465.1 [1,1,0,0,0,0|0,0,1]=3 89 B11R2.1530 CC1(O[C@@]2(CC[C@H]1O2)C)C CNP0404500.1 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.11330 CC1(C(=O)[C@@]2(C=C[C@H]1CC2)C)C CNP0409063.1 [0,1,0,0,0,1|1,0,1]=4 91 B13R2.7758 C=C1[C@H]2CC[C@H]([C@@H]2OC)C1(C)C CNP0089524.1 [0,2,0,0,0,0|0,0,0]=2 92 B13R2.10793 C=C1[C@@H]2[C@@H]([C@@H](C1(C)C)C[C@@H]2O)O CNP0075853.1 [0,2,0,0,0,0|0,0,0]=2 93 B13R2.10793 C=C1[C@@H]2[C@@H]([C@@H](C1(C)C)C[C@H]2O)O CNP0075853.2 [0,2,0,0,0,0|0,0,0]=2 94 B13R2.10793 C=C1[C@@H]2[C@@H]([C@H](C1(C)C)C[C@@H]2O)O CNP0075853.4 [0,2,0,0,0,0|0,0,0]=2 95 B13R2.10793 C=C1[C@@H]2[C@@H]([C@H](C1(C)C)C[C@H]2O)O CNP0075853.3 [0,2,0,0,0,0|0,0,0]=2 96 B13R2.12020 C=C1[C@@H]2CC[C@H](C1(C)C)C2(C)C CNP0317141.1 [0,2,0,0,0,0|0,0,0]=2 97 B13R2.9498 CC1([C@@H]([C@@H]2C[C@H]([C@H]1C2)O)CO)C CNP0292857.1 [0,2,0,0,0,0|0,0,2]=4 98 B13R2.9498 CC1([C@H]([C@H]2C[C@@H]([C@@H]1C2)O)CO)C CNP0292857.2 [0,2,0,0,0,0|0,0,2]=4 99 B13R2.21534 C=C1C2CC(C1(C)C)C(C2)(C)C CNP0590781.0 [0,2,0,0,0,0|0,0,0]=2 100 B13R2.1742 C=C1[C@@H]2C[C@H](C1(C)C)C[C@@H]2CO CNP0418924.1 [0,2,0,0,0,0|0,0,0]=2 101 B13R2.284 CC1([C@@H]2CC[C@@H](C2)[C@@H]1CCBr)C CNP0042056.1 [0,2,0,0,0,0|0,0,2]=4 102 B13R2.284 CC1([C@@H]2CC[C@@H](C2)[C@@H]1CCCl)C CNP0322343.2 [0,2,0,0,0,0|0,0,2]=4 103 B13R2.284 CC1([C@H]2CC[C@H](C2)[C@@H]1CCBr)C CNP0042056.2 [0,2,0,0,0,0|0,0,2]=4 104 B13R2.284 CC1([C@H]2CC[C@H](C2)[C@@H]1CCCl)C CNP0322343.1 [0,2,0,0,0,0|0,0,2]=4 105 B13R2.2560 CC1(C2CCC(C2)[C@]1(O)CO)C CNP0075856.1 [0,2,0,0,0,0|0,0,2]=4 106 B13R2.2560 CC1([C@@H]2CC[C@@H](C2)[C@]1(O)CO)C CNP0075856.3 [0,2,0,0,0,0|0,0,2]=4 107 B13R2.2560 CC1([C@H]2CC[C@H](C2)[C@]1(O)CO)C CNP0075856.2 [0,2,0,0,0,0|0,0,2]=4 108 B13R2.2560 CN[C@@]1([C@@H]2CC[C@@H](C2)C1(C)C)C CNP0223118.1 [0,2,0,0,0,0|0,0,2]=4 109 B13R2.2560 CN[C@@]1([C@H]2CC[C@H](C2)C1(C)C)C CNP0223118.2 [0,2,0,0,0,0|0,0,2]=4 110 B13R2.2560 CN[C@]1([C@@H]2CC[C@@H](C2)C1(C)C)C CNP0223118.3 [0,2,0,0,0,0|0,0,2]=4 111 B13R2.17553 C=C1[C@H]2CC[C@](C2)(C1(C)C)C=O CNP0332077.1 [0,2,0,0,0,0|0,0,0]=2 112 B13R2.9793 C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CC=O CNP0155901.1 [0,2,0,0,0,0|0,0,0]=2 113 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [0,0,2,0,0,0|0,0,2]=4 114 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,0,2,0,0,0|1,0,1]=4 115 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,0,2,0,0,0|2,0,0]=4 116 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,0,2,0,0,0|2,0,0]=4 117 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,0,2,0,0,0|0,0,2]=4 118 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,0,2,0,0,0|0,0,0]=2 119 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [0,0,2,0,0,0|0,0,2]=4 120 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [0,0,2,0,0,0|0,0,2]=4 121 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [0,0,2,0,0,0|0,0,2]=4 122 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,0,2,0,0,0|1,0,0]=3 123 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,0,2,0,0,0|1,0,1]=4 124 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,0,2,0,0,0|1,0,0]=3 125 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,0,2,0,0,0|1,0,1]=4 126 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,0,2,0,0,0|0,0,2]=4 127 B9R0.13 CCCCC(CC)C(C)C CNP0593985.0 [0,0,2,0,0,0|0,0,2]=4 128 B9R0.43 CCC(CC)CCC(C)C CNP0312262.0 [0,0,2,0,0,0|0,0,2]=4 129 B11R2.130 C=C1C(=CC2CCC1C2)C CNP0502925.0 [0,0,1,1,0,0|0,0,2]=4 130 B11R2.130 C=C1CC2CCC(C2)C1=C CNP0612223.0 [0,0,1,1,0,0|0,0,2]=4 131 B11R2.732 CC1=CC2CCC1C2(C)C CNP0135245.0 [0,0,1,1,0,0|0,0,2]=4 132 B11R2.2357 CC1([C@H]2CC[C@@]1(CC2)C)C CNP0311699.1 [0,0,1,1,0,0|0,0,2]=4 133 B11R2.533 CC1=C2CC(C2(C)C)CC1 CNP0596283.0 [0,0,1,1,0,0|0,0,2]=4 134 B11R2.533 C[C@H]1CC[C@@H]2C[C@@H]1C2(C)C CNP0170599.1 [0,0,1,1,0,0|0,0,2]=4 135 B11R2.533 C[C@H]1CC[C@H]2C[C@@H]1C2(C)C CNP0170599.2 [0,0,1,1,0,0|0,0,2]=4 136 B13R3.23479 CC1([C@@H]2C[C@@H]3[C@@]1([C@@H]3[C@@H]2O)C)C CNP0075852.3 [0,1,0,1,0,0|0,0,2]=4 137 B13R3.23479 CC1([C@@H]2C[C@H]3[C@@]1([C@@H]3[C@@H]2O)C)C CNP0075852.2 [0,1,0,1,0,0|0,0,2]=4 138 B13R3.23479 CC1([C@H]2C[C@@H]3[C@@]1([C@@H]3[C@@H]2O)C)C CNP0075852.1 [0,1,0,1,0,0|0,0,2]=4 139 B13R3.23479 CC1([C@H]2C[C@H]3[C@@]1([C@@H]3[C@@H]2O)C)C CNP0075852.4 [0,1,0,1,0,0|0,0,2]=4 140 B13R3.7447 CC12[C@H]3[C@@H]1CC(C3)[C@@]2(C)CO CNP0206697.3 [0,1,0,1,0,0|0,0,2]=4 141 B13R3.7447 C[C@@]12[C@H]3[C@@H]1C[C@H](C3)[C@@]2(C)CO CNP0206697.2 [0,1,0,1,0,0|0,0,2]=4 142 B13R3.7447 C[C@@]12[C@H]3[C@@H]1C[C@H](C3)[C@]2(C)CO CNP0206697.1 [0,1,0,1,0,0|0,0,2]=4 143 B11R1.36 CN(C)C(=O)C1CCCCC1 CNP0331998.0 [0,0,1,0,0,1|2,0,0]=4 144 B11R1.3 CC(C)C1=CCC(CC1)C=O CNP0499268.0 [0,0,1,0,0,1|1,0,1]=4 145 B11R1.3 CC(C)[C@@H]1CC=C(CC1)C=O CNP0124870.1 [0,0,1,0,0,1|1,0,1]=4 146 B11R1.3 CC(C)[C@H]1CC=C(CC1)C=O CNP0124870.2 [0,0,1,0,0,1|1,0,1]=4 147 B11R1.3 CC(C)[C@H]1CC[C@H](CC1)CO CNP0225176.1 [0,0,1,0,0,1|1,0,1]=4 148 B11R1.3 COC1CCC(CC1)C(C)C CNP0597749.0 [0,0,1,0,0,1|1,0,1]=4 149 B11R2.508 CC1(O[C@@H]2C=C[C@H]1CC2)C CNP0076963.1 [1,0,0,0,0,1|1,0,1]=4 150 B11R2.509 CC1(O[C@@H]2CCCC1O2)C CNP0114340.1 [1,0,0,0,0,1|2,0,0]=4