0 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.140 CCCC=CC(=O)OCCCC CNP0076599.0 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.140 CCCCCC(=O)CCCCC CNP0003552.0 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.140 CCCCCC(=O)OCCCC CNP0132269.0 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.140 CCCCOC(C)OCCCC CNP0262484.0 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.140 CNCCCN(C)CCCNC CNP0018596.0 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [1,0,0,0,0,0|0,0,3]=4 8 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,0,0,0,0,0|0,0,3]=4 9 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,0,0,0,0|0,0,3]=4 10 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,0,0,0,0|0,0,3]=4 11 B10R0.71 CCC#CC=CCCCCC CNP0109430.0 [1,0,0,0,0,0|0,0,3]=4 12 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [1,0,0,0,0,0|0,0,3]=4 13 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,0,0,0,0,0|0,0,3]=4 14 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [1,0,0,0,0,0|0,0,3]=4 15 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,0,0,0,0,0|0,0,3]=4 16 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [1,0,0,0,0,0|1,0,2]=4 17 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [1,0,0,0,0,0|0,0,1]=2 18 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [1,0,0,0,0,0|1,0,1]=3 19 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,0,0,0,0,0|1,0,2]=4 20 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,0,0,0,0,0|1,0,1]=3 21 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,0,0,0,0|1,0,2]=4 22 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,0,0,0,0,0|0,0,1]=2 23 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,0,0,0,0,0|1,0,1]=3 24 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,0,0,0,0,0|1,0,1]=3 27 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,0,0,0,0,0|0,0,1]=2 28 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,0,0,0,0,0|1,0,1]=3 29 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,0,0,0,0,0|1,0,1]=3 30 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.71 CCCCSSSCCCC CNP0505576.0 [1,0,0,0,0,0|3,0,0]=4 32 B10R0.71 CCOCCOCCOCC CNP0581610.0 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.71 NCCCCNCCCCN CNP0224806.0 [1,0,0,0,0,0|3,0,0]=4 35 B10R0.71 OCCCCCCCCCO CNP0496013.0 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.71 SCCCCCCCCCS CNP0323084.0 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,0,0,0,0,0|1,0,1]=3 38 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [1,0,0,0,0,0|1,0,2]=4 39 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [1,0,0,0,0,0|1,0,2]=4 40 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [1,0,0,0,0,0|0,0,2]=3 41 B10R0.91 CCCCC(=O)C#CCCO CNP0155413.0 [1,0,0,0,0,0|1,0,2]=4 42 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [1,0,0,0,0,0|1,0,0]=2 43 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [1,0,0,0,0,0|0,0,0]=1 47 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [1,0,0,0,0,0|1,0,0]=2 48 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [1,0,0,0,0,0|2,0,0]=3 49 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [1,0,0,0,0,0|1,0,0]=2 50 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [1,0,0,0,0,0|1,0,1]=3 53 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [1,0,0,0,0,0|2,0,1]=4 54 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [1,0,0,0,0,0|1,0,0]=2 55 B10R0.91 CCCCS[S@+]([O-])CCCC CNP0524269.1 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.91 CCCCS[S@H+]([O-])CCCC CNP0530944.1 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [1,0,0,0,0,0|1,0,0]=2 58 B12R0.47 CCC=CCOC(=O)CCCCC CNP0003217.0 [0,1,0,0,0,0|0,0,2]=3 59 B12R0.47 CCCC=COC(=O)CCCCC CNP0547534.0 [0,1,0,0,0,0|0,0,2]=3 60 B12R0.47 CCCCCC(=O)CCCCC#N CNP0136288.0 [0,1,0,0,0,0|0,0,1]=2 61 B12R0.47 CCCCCCC(=O)OCCCC CNP0305116.0 [0,1,0,0,0,0|1,0,0]=2 62 B12R0.47 CCCCCOC(=O)CCCCC CNP0135873.0 [0,1,0,0,0,0|0,0,0]=1 63 B12R0.142 CCCCCC(=O)CCC(=O)CO CNP0102753.0 [0,1,0,0,0,0|1,0,1]=3 64 B12R0.142 CCCCCC(=O)CCC(=O)OC CNP0204894.0 [0,1,0,0,0,0|1,0,1]=3 65 B12R0.142 CCCCCC(=O)OCC(C)CC CNP0257249.0 [0,1,0,0,0,0|1,0,0]=2 66 B12R0.142 CCCCC[C@@H](C)CC[C@@H](C)CC CNP0119463.1 [0,1,0,0,0,0|1,0,1]=3 67 B12R0.142 CCCCC[C@H](C)CC[C@@H](C)CC CNP0119463.2 [0,1,0,0,0,0|1,0,1]=3 68 B12R0.142 CCCCC[C@H](C)CC[C@H](C)CC CNP0119463.3 [0,1,0,0,0,0|1,0,1]=3 69 B12R0.142 CCCCOC(=O)CCC(=O)OC CNP0325407.0 [0,1,0,0,0,0|2,0,1]=4 70 B12R0.233 C=C(C)CCOC(=O)CCCCC CNP0572994.0 [0,1,0,0,0,0|1,0,1]=3 71 B12R0.233 C=C(CCCCC)CCCC(=O)O CNP0458205.0 [0,1,0,0,0,0|2,0,1]=4 72 B12R0.233 CC(C)CCC[C@@H](C)CCCCO CNP0362773.1 [0,1,0,0,0,0|2,0,1]=4 73 B12R0.233 CC(C)CCC[C@H](C)CCCCO CNP0362773.2 [0,1,0,0,0,0|2,0,1]=4 74 B12R0.233 CCC=CCC(=O)OCCC(C)C CNP0483242.0 [0,1,0,0,0,0|1,0,2]=4 75 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [0,1,0,0,0,0|1,0,1]=3 76 B12R0.233 CCCCCC(=O)CCC[C@H](C)O CNP0232035.1 [0,1,0,0,0,0|0,0,0]=1 77 B12R0.233 CCCCCC(=O)OCC=C(C)C CNP0333606.0 [0,1,0,0,0,0|1,0,2]=4 78 B12R0.233 CCCCCC(=O)OCCC(C)C CNP0118805.0 [0,1,0,0,0,0|1,0,0]=2 79 B12R0.233 CCCCCC(C)CCCC(C)C CNP0542060.0 [0,1,0,0,0,0|1,0,1]=3 80 B12R0.239 C/C=C/CCC(=O)C[C@@H](O)CCO CNP0267529.1 [0,1,0,0,0,0|1,0,2]=4 81 B12R0.239 C/C=C/CCC(=O)C[C@H](O)CCO CNP0267529.2 [0,1,0,0,0,0|1,0,2]=4 82 B12R0.239 CCCCCC(=O)OC(C)CCC CNP0481029.0 [0,1,0,0,0,0|1,0,0]=2 83 B12R0.239 CCCCC[C@H](C)C[C@@H](C)CCC CNP0261462.1 [0,1,0,0,0,0|1,0,1]=3 84 B12R0.239 CCCCC[C@H](O)C[C@H](O)CCC CNP0127326.1 [0,1,0,0,0,0|0,0,2]=3 85 B12R0.239 CCCCOC(=O)CC(=O)OCC CNP0203043.0 [0,1,0,0,0,0|2,0,1]=4 86 B12R0.648 CCCCC[C@H](C)[C@H](C)CCCC CNP0287943.1 [0,1,0,0,0,0|1,0,1]=3 87 B12R0.648 CCCCOC(=O)C(=O)OCCC CNP0489961.0 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,0,0,1,0,0|1,0,2]=4 89 B12R1.455 CCCCCC1=N[C@H](CC1)CC CNP0220013.1 [0,0,0,1,0,0|1,0,0]=2 90 B12R1.455 CCCCC[C@H]1CCC(=N1)CC CNP0189691.1 [0,0,0,1,0,0|1,0,2]=4 91 B9R0.45 C#CCCCCCCCC CNP0272182.0 [2,0,0,0,0,0|0,0,2]=4 92 B9R0.45 C=CCCCCCCCC CNP0330037.0 [2,0,0,0,0,0|0,0,2]=4 93 B9R0.45 CC#CCCCCCCC CNP0076890.0 [2,0,0,0,0,0|0,0,2]=4 94 B9R0.45 CCC#CCCCCCC CNP0606734.0 [2,0,0,0,0,0|0,0,2]=4 95 B9R0.45 CCC=CCCCCCC CNP0223572.0 [2,0,0,0,0,0|0,0,2]=4 96 B9R0.45 CCCC#CCCCCC CNP0576219.0 [2,0,0,0,0,0|0,0,2]=4 97 B9R0.45 CCCC=CCCCCC CNP0076954.0 [2,0,0,0,0,0|0,0,1]=3 98 B9R0.45 CCCCCC=CCCO CNP0111850.0 [2,0,0,0,0,0|1,0,1]=4 99 B9R0.45 CCCCCCCCC#N CNP0309769.0 [2,0,0,0,0,0|1,0,1]=4 100 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|1,0,1]=4 101 B9R0.45 CCCCCCCCCC CNP0279708.0 [2,0,0,0,0,0|0,0,0]=2 102 B9R0.45 CCCCCCCCCI CNP0565198.0 [2,0,0,0,0,0|1,0,0]=3 103 B9R0.45 CCCCCCCCCO CNP0307663.0 [2,0,0,0,0,0|1,0,0]=3 104 B9R0.45 CCCCCCCCOC CNP0305574.0 [2,0,0,0,0,0|1,0,0]=3 105 B9R0.45 CCCCCCCOCC CNP0144632.0 [2,0,0,0,0,0|1,0,0]=3 106 B9R0.45 CCCCCCOCCC CNP0488672.0 [2,0,0,0,0,0|1,0,0]=3 107 B9R0.45 CCCCCOCCCC CNP0134382.0 [2,0,0,0,0,0|1,0,0]=3 108 B9R0.45 CCCCOCCCCO CNP0571704.0 [2,0,0,0,0,0|2,0,0]=4 109 B9R0.45 NCCCCCCCCN CNP0462737.0 [2,0,0,0,0,0|2,0,0]=4 110 B9R0.45 OCCCCCCCCO CNP0076363.0 [2,0,0,0,0,0|2,0,0]=4 111 B9R0.45 SCCCCCCCCS CNP0058300.0 [2,0,0,0,0,0|2,0,0]=4 112 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [2,0,0,0,0,0|0,0,2]=4 113 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [2,0,0,0,0,0|0,0,2]=4 114 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [2,0,0,0,0,0|0,0,2]=4 115 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [2,0,0,0,0,0|1,0,1]=4 116 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [2,0,0,0,0,0|0,0,0]=2 117 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [2,0,0,0,0,0|1,0,0]=3 118 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [2,0,0,0,0,0|1,0,0]=3 119 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [2,0,0,0,0,0|1,0,1]=4 120 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [2,0,0,0,0,0|0,0,2]=4 121 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [2,0,0,0,0,0|1,0,0]=3 122 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [2,0,0,0,0,0|2,0,0]=4 123 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [2,0,0,0,0,0|0,0,0]=2 124 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [2,0,0,0,0,0|1,0,0]=3 125 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [2,0,0,0,0,0|1,0,0]=3 126 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [2,0,0,0,0,0|1,0,1]=4 127 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [1,1,0,0,0,0|0,0,2]=4 128 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [1,1,0,0,0,0|0,0,2]=4 129 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,1,0,0,0,0|0,0,2]=4 130 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,1,0,0,0,0|0,0,2]=4 131 B11R0.3 CCCCC#CC=CCCCC CNP0235318.0 [1,1,0,0,0,0|0,0,2]=4 132 B11R0.3 CCCCCC=CCCCCC CNP0563337.0 [1,1,0,0,0,0|0,0,0]=2 133 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [1,1,0,0,0,0|0,0,2]=4 134 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [1,1,0,0,0,0|0,0,1]=3 135 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [1,1,0,0,0,0|0,0,1]=3 136 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [1,1,0,0,0,0|0,0,1]=3 137 B11R0.3 CCCCCCCCCCON CNP0565549.0 [1,1,0,0,0,0|1,0,1]=4 138 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [1,1,0,0,0,0|1,0,1]=4 139 B11R0.3 CCCCCSSCCCCC CNP0314925.0 [1,1,0,0,0,0|1,0,0]=3 140 B11R0.3 CCCCOCCOCCCC CNP0542178.0 [1,1,0,0,0,0|1,0,1]=4 141 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [1,1,0,0,0,0|1,0,1]=4 142 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [1,1,0,0,0,0|0,0,1]=3 143 B11R0.4 CCCCCC=CC(C)CCO CNP0003544.0 [1,1,0,0,0,0|1,0,1]=4 144 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [1,1,0,0,0,0|0,0,2]=4 145 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [1,1,0,0,0,0|0,0,1]=3 146 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [1,1,0,0,0,0|0,0,1]=3 147 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [1,1,0,0,0,0|0,0,2]=4 148 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [1,1,0,0,0,0|0,0,2]=4 149 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [1,1,0,0,0,0|0,0,1]=3 150 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [1,1,0,0,0,0|1,0,1]=4 151 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [1,1,0,0,0,0|0,0,1]=3 152 B11R0.81 C=C(CCCC)OCCCCC CNP0385438.0 [1,1,0,0,0,0|1,0,1]=4 153 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [1,1,0,0,0,0|0,0,1]=3 154 B11R0.81 CCCCCOC(=O)CCCC CNP0079884.0 [1,1,0,0,0,0|1,0,1]=4 155 B11R0.148 CCCC/C=C\CCC[C@@H](C)O CNP0328991.1 [1,1,0,0,0,0|0,0,1]=3 156 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [1,1,0,0,0,0|0,0,2]=4 157 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [1,1,0,0,0,0|0,0,2]=4 158 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [1,1,0,0,0,0|0,0,1]=3 159 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [1,1,0,0,0,0|0,0,1]=3 160 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [1,1,0,0,0,0|0,0,1]=3 161 B11R0.5 CCCCC(C)CC(C)CCC CNP0574073.0 [1,1,0,0,0,0|1,0,1]=4 162 B11R0.11 C=C(CCCC)C(C)CCCC CNP0244718.0 [1,1,0,0,0,0|1,0,0]=3 163 B11R0.46 CCCCCC(=O)C=CC(C)C CNP0585991.0 [1,1,0,0,0,0|0,0,2]=4 164 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [1,1,0,0,0,0|0,0,1]=3 165 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [1,1,0,0,0,0|1,0,1]=4 166 B11R0.46 CCCCCC(=O)NCC(C)C CNP0299314.0 [1,1,0,0,0,0|1,0,0]=3 167 B11R0.46 CCCCCC(=O)OCC(C)C CNP0258306.0 [1,1,0,0,0,0|1,0,0]=3 168 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [1,1,0,0,0,0|1,0,1]=4 169 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [1,1,0,0,0,0|1,0,1]=4 170 B11R0.70 CCCCC(=O)OCC(C)CC CNP0444894.0 [1,1,0,0,0,0|1,0,0]=3 171 B11R0.70 CCCCC(=O)OC[C@H](O)CO CNP0081553.1 [1,1,0,0,0,0|2,0,0]=4 172 B11R0.70 CCCCC(C)CCC(C)CC CNP0547533.0 [1,1,0,0,0,0|1,0,1]=4 173 B11R0.147 CCCCC(=O)OCCC(C)C CNP0141436.0 [1,1,0,0,0,0|1,0,0]=3 174 B11R0.152 CCCCCC(CC)CCCC CNP0573841.0 [1,1,0,0,0,0|1,0,1]=4 175 B11R0.154 CCCCCC(O)CC(O)CC CNP0502032.0 [1,1,0,0,0,0|0,0,2]=4 176 B13R0.1 CCCCCCC(=O)CCOC(=O)C CNP0381417.0 [0,2,0,0,0,0|1,0,1]=4 177 B13R0.1 CCCCCCC(=O)OCCC(C)C CNP0437214.0 [0,2,0,0,0,0|1,0,0]=3 178 B13R0.165 CCC=CCCC(=O)OCCCCC CNP0407600.0 [0,2,0,0,0,0|0,0,1]=3 179 B13R0.165 CCCCCCC(=O)CCCCCC CNP0508946.0 [0,2,0,0,0,0|0,0,0]=2 180 B13R0.165 CCCCCCC(=O)OCCCCC CNP0002919.0 [0,2,0,0,0,0|0,0,0]=2 181 B13R0.165 CCCCCCC(O)CCCCCC CNP0082295.0 [0,2,0,0,0,0|0,0,2]=4 182 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [0,2,0,0,0,0|0,0,1]=3 183 B13R0.188 CCCCCC(=O)OCCCC(C)C CNP0259137.0 [0,2,0,0,0,0|0,0,0]=2 184 B13R0.193 CCCCCC(=O)CCC(=O)OCC CNP0017938.0 [0,2,0,0,0,0|0,0,1]=3 185 B13R0.194 CCCCCC(=O)CCCC(=O)OC CNP0227503.0 [0,2,0,0,0,0|0,0,1]=3 186 B13R0.330 CCCCCC[C@@H](C)C[C@@H](C)CCC CNP0248871.1 [0,2,0,0,0,0|1,0,1]=4 187 B13R0.330 CCCCCC[C@H](C)C[C@H](C)CCC CNP0248871.2 [0,2,0,0,0,0|1,0,1]=4 188 B13R0.338 CC=CCCCOC(=O)CCCCC CNP0484575.0 [0,2,0,0,0,0|0,0,1]=3 189 B13R0.338 CCC=CCCOC(=O)CCCCC CNP0115338.0 [0,2,0,0,0,0|0,0,1]=3 190 B13R0.338 CCCC=CC(=O)OCCCCCC CNP0365777.0 [0,2,0,0,0,0|0,0,2]=4 191 B13R0.338 CCCC=CCOC(=O)CCCCC CNP0140480.0 [0,2,0,0,0,0|0,0,1]=3 192 B13R0.338 CCCCCCCC(=O)OCCCC CNP0213733.0 [0,2,0,0,0,0|1,0,0]=3 193 B13R0.338 CCCCCCCC(N)CCCCC CNP0427184.0 [0,2,0,0,0,0|1,0,1]=4 194 B13R0.338 CCCCCCC[C@H](C)CCCCC CNP0183278.1 [0,2,0,0,0,0|1,0,1]=4 195 B13R0.338 CCCCCCOC(=O)CCCCC CNP0314778.0 [0,2,0,0,0,0|0,0,0]=2 196 B13R0.338 CCCCCCOS(=O)OCCCC CNP0587328.0 [0,2,0,0,0,0|2,0,0]=4 197 B13R0.398 CCCCOC(=O)C(=O)OCCCC CNP0267112.0 [0,2,0,0,0,0|1,0,1]=4 198 B13R0.1170 CCCCCCC(=O)OC[C@H](C)CC CNP0240947.1 [0,2,0,0,0,0|1,0,0]=3 199 B13R0.196 CCCCCC(=O)OCC[N+](C)(C)C CNP0525227.0 [0,2,0,0,0,0|2,0,0]=4 200 B13R0.1398 C=C(CCCC(C)C)CCCC(C)C CNP0609168.0 [0,2,0,0,0,0|1,0,0]=3 201 B13R0.1398 CC(C)CCCC(C)CCCC(C)C CNP0231797.0 [0,2,0,0,0,0|1,0,1]=4 202 B13R0.1398 CC(C)CCCC(C)CCCC(C)O CNP0612221.0 [0,2,0,0,0,0|1,0,1]=4 203 B13R0.89 CCC[C@@H](O)CC(=O)O[C@@H](C)CCC CNP0169426.1 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [1,0,0,1,0,0|0,0,1]=3 205 B11R1.18 CCCCC1CCCC1CC CNP0603151.0 [1,0,0,1,0,0|0,0,1]=3 206 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [1,0,0,1,0,0|0,0,1]=3 207 B11R1.28 CCCCCC1=NCCCC1 CNP0532846.0 [1,0,0,1,0,0|1,0,0]=3 208 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [1,0,0,1,0,0|0,0,1]=3 209 B11R1.28 CCCCCC1CCCCN1 CNP0582623.0 [1,0,0,1,0,0|1,0,1]=4 210 B11R1.41 CCCC1CCCCC1CC CNP0083068.0 [1,0,0,1,0,0|0,0,1]=3 211 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [1,0,0,1,0,0|0,0,1]=3 212 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [1,0,0,1,0,0|1,0,1]=4 213 B11R1.92 C1CCCCCCCCCC1 CNP0508104.0 [1,0,0,1,0,0|0,0,1]=3 214 B11R1.99 CCCCCCCCC1CC1 CNP0611993.0 [1,0,0,1,0,0|0,0,1]=3 215 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [1,0,0,1,0,0|0,0,1]=3 216 B11R1.101 C[C@@H]1CCCCCCCNC1 CNP0435621.1 [1,0,0,1,0,0|1,0,1]=4 217 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [1,0,0,1,0,0|1,0,1]=4 218 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [1,0,0,1,0,0|2,0,0]=4 219 B11R1.203 CCCCC1=NCCCCC1 CNP0427788.0 [1,0,0,1,0,0|1,0,1]=4 220 B11R1.285 CCCCC(=O)OCC1CO1 CNP0216897.0 [1,0,0,1,0,0|2,0,0]=4 221 B13R1.24 O=C(CCCCCl)N1CCOCC1 CNP0558956.0 [0,1,0,1,0,0|2,0,0]=4 222 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [0,1,0,1,0,0|0,0,0]=2 223 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,0]=2 224 B13R1.279 OC1CCCCCCCCCCC1 CNP0367434.0 [0,1,0,1,0,0|0,0,2]=4 225 B13R1.657 CCCCC[C@H]1CC[C@H](O1)OCC CNP0237360.1 [0,1,0,1,0,0|0,0,2]=4 226 B13R1.1620 CCCCC1C(CCCC1(C)C)C CNP0612002.0 [0,1,0,1,0,0|1,0,1]=4 227 B13R1.3071 CCCCCC1=NC(CC[Se]1)(C)O CNP0536968.0 [0,1,0,1,0,0|2,0,0]=4 228 B13R1.1524 CCCC(O)[C@@H]1C(=O)OC[C@H]1CO CNP0316743.2 [0,1,0,1,0,0|2,0,0]=4 229 B13R1.1524 CCC[C@@H](O)[C@@H]1C(=O)OC[C@H]1CO CNP0316743.1 [0,1,0,1,0,0|2,0,0]=4 230 B13R1.1601 CCCCC1C(=O)CC(CC1=O)C CNP0563635.0 [0,1,0,1,0,0|1,0,1]=4 231 B13R2.4820 O=C1NCCN2[C@H]1CCCCC2 CNP0440709.1 [0,0,0,2,0,0|2,0,0]=4 232 B13R2.5179 CN1CCC2C(=O)CCCC2C1 CNP0518875.0 [0,0,0,2,0,0|1,0,0]=3 233 B13R2.5179 C[C@@H]1CC[C@@H]2[C@H](C1)CCC[C@H]2C CNP0269172.1 [0,0,0,2,0,0|1,0,1]=4 234 B13R2.674 CC(C1CCCC1)C2CCCC2 CNP0084836.0 [0,0,0,2,0,0|1,0,1]=4 235 B13R2.260 CCOC1CCC2N1C(=O)CC2 CNP0511470.0 [0,0,0,2,0,0|2,0,0]=4 236 B13R2.5190 C[C@@H]1[C@@H]2COC(=O)C[C@H]2C[C@@H]1O CNP0199485.1 [0,0,0,2,0,0|2,0,0]=4 237 B13R2.5190 C[C@@H]1[C@H]2COC(=O)C[C@@H]2C[C@@H]1O CNP0199485.4 [0,0,0,2,0,0|2,0,0]=4 238 B13R2.5190 C[C@@H]1[C@H]2COC(=O)C[C@H]2C[C@@H]1O CNP0199485.3 [0,0,0,2,0,0|2,0,0]=4 239 B13R2.5190 C[C@H]1[C@H]2COC(=O)C[C@H]2C[C@H]1O CNP0199485.2 [0,0,0,2,0,0|2,0,0]=4 240 B13R2.2891 C[C@H]1C[C@@H]2OC(=O)C[C@@H]2[C@@H]1CO CNP0528800.1 [0,0,0,2,0,0|2,0,0]=4