0 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [0,0,0,0,0,0|2,0,0]=2 1 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [0,0,0,0,0,0|1,0,2]=3 2 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,0,0,0,0,0|0,0,2]=2 3 B13R0.54 C=CCCCCCCCCC[N+](=O)[O-] CNP0523430.0 [0,0,0,0,0,0|1,0,3]=4 4 B13R0.54 C=CCCCCCCCCOC(=O)C CNP0555861.0 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.54 CC(=O)OCCCCCCCCC=O CNP0547492.0 [0,0,0,0,0,0|3,0,1]=4 6 B13R0.54 CC(C)CCCCCCCCCCO CNP0498996.0 [0,0,0,0,0,0|3,0,1]=4 7 B13R0.54 CC/C=C/CCCCCCC[C@H](C)O CNP0191015.1 [0,0,0,0,0,0|1,0,3]=4 8 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,0,0,0,0,0|0,0,2]=2 9 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,0,0,0,0,0|0,0,2]=2 10 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,0,0,0,0,0|0,0,2]=2 11 B13R0.54 CCCCC=CCCCCOC(=O)C CNP0154646.0 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.54 CCCCCC=CCCC=CC(=O)O CNP0290016.0 [0,0,0,0,0,0|0,0,4]=4 13 B13R0.54 CCCCCC=CCCCCC(=O)C CNP0213133.0 [0,0,0,0,0,0|1,0,2]=3 14 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,0,0,0,0,0|0,0,2]=2 15 B13R0.54 CCCCCC=CCCCOC(=O)C CNP0003295.0 [0,0,0,0,0,0|2,0,2]=4 16 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,0,0,0,0,0|0,0,2]=2 17 B13R0.54 CCCCCCCC=CC=CC(=O)O CNP0115107.0 [0,0,0,0,0,0|0,0,4]=4 18 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,0,0,0,0,0|0,0,2]=2 19 B13R0.54 CCCCCCCC=CCOC(=O)C CNP0123694.0 [0,0,0,0,0,0|2,0,2]=4 20 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,0,0,0,0,0|0,0,2]=2 21 B13R0.54 CCCCCCCCC=COC(=O)C CNP0501330.0 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.54 CCCCCCCCC=NNC(=O)N CNP0224908.0 [0,0,0,0,0,0|3,0,1]=4 23 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,0,0,0,0,0|1,0,2]=3 24 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,0,0,0,0,0|0,0,2]=2 25 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [0,0,0,0,0,0|1,0,0]=1 26 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [0,0,0,0,0,0|1,0,0]=1 27 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,0,0,0,0,0|0,0,0]=0 28 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [0,0,0,0,0,0|0,0,1]=1 29 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [0,0,0,0,0,0|0,0,1]=1 30 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [0,0,0,0,0,0|0,0,1]=1 31 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [0,0,0,0,0,0|0,0,1]=1 32 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [0,0,0,0,0,0|0,0,1]=1 33 B13R0.54 CCCCCCCCCCCC(C)C CNP0149200.0 [0,0,0,0,0,0|2,0,1]=3 34 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [0,0,0,0,0,0|1,0,1]=2 35 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [0,0,0,0,0,0|1,0,1]=2 36 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [0,0,0,0,0,0|2,0,0]=2 37 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [0,0,0,0,0,0|1,1,0]=2 38 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,0,0,0,0,0|1,0,0]=1 39 B13R0.54 CCCCOCCOCCOC(=O)C CNP0603936.0 [0,0,0,0,0,0|4,0,0]=4 40 B13R0.54 O=C(O)CCCCCCCC=CCO CNP0273167.0 [0,0,0,0,0,0|1,0,2]=3 41 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,0,0,0,0,0|1,0,0]=1 42 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,0,0,0,0,0|1,0,0]=1 43 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,0,0,0,0,0|1,0,1]=2 44 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [0,0,0,0,0,0|2,0,0]=2 45 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [1,0,0,0,0,0|1,0,2]=4 46 B12R0.5 C=CCCC=CCCCCCCC CNP0172346.0 [1,0,0,0,0,0|1,0,2]=4 47 B12R0.5 C=CCCCC=CCCCCCC CNP0076850.0 [1,0,0,0,0,0|1,0,2]=4 48 B12R0.5 C=CCCCCCCCCC=CC CNP0054973.0 [1,0,0,0,0,0|1,0,2]=4 49 B12R0.5 C=CCCCCCCCCCC=C CNP0610541.0 [1,0,0,0,0,0|1,0,2]=4 50 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [1,0,0,0,0,0|1,0,0]=2 51 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [1,0,0,0,0,0|2,0,0]=3 52 B12R0.5 CC#CCCCCCCCCCO CNP0563211.0 [1,0,0,0,0,0|0,0,3]=4 53 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [1,0,0,0,0,0|1,0,1]=3 54 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [1,0,0,0,0,0|0,0,3]=4 55 B12R0.5 CCC=CCCCCCCCC=O CNP0222286.0 [1,0,0,0,0,0|0,0,2]=3 56 B12R0.5 CCC=CCCCCCCCCO CNP0133783.0 [1,0,0,0,0,0|0,0,3]=4 57 B12R0.5 CCCC=CCCCCCCCO CNP0274278.0 [1,0,0,0,0,0|0,0,3]=4 58 B12R0.5 CCCCC=CCCCCCC=O CNP0318145.0 [1,0,0,0,0,0|0,0,2]=3 59 B12R0.5 CCCCC=CCCCCCCO CNP0260521.0 [1,0,0,0,0,0|0,0,3]=4 60 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [1,0,0,0,0,0|0,0,2]=3 61 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [1,0,0,0,0,0|0,0,2]=3 62 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [1,0,0,0,0,0|0,0,3]=4 63 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [1,0,0,0,0,0|0,0,2]=3 64 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [1,0,0,0,0,0|0,0,3]=4 65 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [1,0,0,0,0,0|0,0,1]=2 66 B12R0.5 CCCCCCCCCCCC#N CNP0071944.0 [1,0,0,0,0,0|1,0,1]=3 67 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [1,0,0,0,0,0|0,0,0]=1 68 B12R0.5 CCCCCCCCCCCCC CNP0251262.0 [1,0,0,0,0,0|1,0,1]=3 69 B12R0.5 CCCCCCCCCCCCO CNP0281602.0 [1,0,0,0,0,0|0,0,1]=2 70 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [1,0,0,0,0,0|1,0,0]=2 71 B12R0.5 CCCCCCCCCCOCO CNP0587051.0 [1,0,0,0,0,0|1,0,1]=3 72 B12R0.5 CCCCCCCCCOCCC CNP0508454.0 [1,0,0,0,0,0|2,0,1]=4 73 B12R0.5 CCCCCCNCCCCCC CNP0462839.0 [1,0,0,0,0,0|2,0,1]=4 74 B12R0.5 CCCCCCOCCCCCC CNP0492138.0 [1,0,0,0,0,0|2,0,1]=4 75 B12R0.5 CSCCCCCCCCC=NO CNP0085412.0 [1,0,0,0,0,0|2,0,1]=4 76 B12R0.5 OCCCCCCCCCCCO CNP0368503.0 [1,0,0,0,0,0|1,0,1]=3 77 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [1,0,0,0,0,0|0,0,2]=3 78 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [1,0,0,0,0,0|0,0,2]=3 79 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [1,0,0,0,0,0|0,0,3]=4 80 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [1,0,0,0,0,0|0,0,3]=4 81 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [1,0,0,0,0,0|0,0,2]=3 82 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [1,0,0,0,0,0|1,0,2]=4 83 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [1,0,0,0,0,0|0,0,2]=3 84 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [1,0,0,0,0,0|1,0,0]=2 85 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [1,0,0,0,0,0|0,0,0]=1 86 B12R0.234 CCCCCCCCCCC(C)C CNP0258052.0 [1,0,0,0,0,0|2,0,1]=4 87 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [1,0,0,0,0,0|0,0,2]=3 88 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [1,0,0,0,0,0|1,0,1]=3 89 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [1,0,0,0,0,0|2,0,0]=3 90 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [1,0,0,0,0,0|1,0,2]=4 91 B12R0.234 O=C(O)CCCCCCC=CCO CNP0316414.0 [1,0,0,0,0,0|1,0,2]=4 92 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [1,0,0,0,0,0|1,0,0]=2 93 B14R0.2 CCCCCCCC(=O)CCCC(=O)O CNP0193723.0 [0,1,0,0,0,0|0,0,1]=2 94 B14R0.2 CCCCCCCC(=O)CCSC(=O)C CNP0294221.0 [0,1,0,0,0,0|2,0,1]=4 95 B14R0.2 CCCCCCCC(C)CCCC(=O)C CNP0524173.0 [0,1,0,0,0,0|1,0,0]=2 96 B14R0.2 CCCCCCCC(O)CCCC(=O)O CNP0411141.0 [0,1,0,0,0,0|0,0,0]=1 97 B14R0.68 CC(=O)CCCCCCCCCC(=O)O CNP0305653.0 [0,1,0,0,0,0|0,0,1]=2 98 B14R0.68 CC(=O)CCCCCCCCNC(=O)C CNP0346976.0 [0,1,0,0,0,0|2,0,1]=4 99 B14R0.68 CC(C)CCCCCCCC=CC(=O)O CNP0304027.0 [0,1,0,0,0,0|0,0,2]=3 100 B14R0.68 CC(C)CCCCCCCCCC(=O)O CNP0314744.0 [0,1,0,0,0,0|0,0,0]=1 101 B14R0.68 CC(C)CCCCCCCCCC(C)O CNP0610273.0 [0,1,0,0,0,0|1,0,1]=3 102 B14R0.68 C[C@H](O)CCCCCCCCCC(=O)O CNP0271260.1 [0,1,0,0,0,0|0,0,0]=1 103 B14R0.68 O=C(O)CCCCCCCCCC(=O)O CNP0292095.0 [0,1,0,0,0,0|1,0,1]=3 104 B14R0.88 CCCCCCCCCCC[N+](C)(C)[O-] CNP0557509.0 [0,1,0,0,0,0|2,0,1]=4 105 B14R0.88 CCCCCCCCCCNS(=O)(=O)O CNP0476658.0 [0,1,0,0,0,0|2,0,0]=3 106 B14R0.88 CCCCCCCCCCOS(=O)(=O)O CNP0421232.0 [0,1,0,0,0,0|2,0,0]=3 107 B14R0.153 CCCC[C@H](O)CCCCCCC(=O)O CNP0106337.1 [0,1,0,0,0,0|0,0,0]=1 108 B14R0.231 C=CCCCC(=O)CCCCCC(=O)O CNP0612020.0 [0,1,0,0,0,0|0,0,3]=4 109 B14R0.231 CCCCC[C@H](O)CCCCCC(=O)O CNP0102854.1 [0,1,0,0,0,0|0,0,0]=1 110 B14R0.305 CCC(C)CCCCCCCCC(=O)C CNP0210226.0 [0,1,0,0,0,0|1,0,0]=2 111 B14R0.305 CC[C@@H](C)CCCCCCCCC(=O)O CNP0277749.2 [0,1,0,0,0,0|0,0,0]=1 112 B14R0.305 CC[C@H](C)CCCCCCCCC(=O)O CNP0277749.1 [0,1,0,0,0,0|0,0,0]=1 113 B14R0.305 CC[C@H](O)CCCCCCCCC(=O)O CNP0298538.1 [0,1,0,0,0,0|0,0,0]=1 114 B14R0.305 COC(=O)CCCCCCCCC(=O)C CNP0275083.0 [0,1,0,0,0,0|2,0,1]=4 115 B14R0.305 COC(=O)CCCCCCCCC(=O)O CNP0362278.0 [0,1,0,0,0,0|1,0,1]=3 116 B14R0.337 C=CC(=O)CCCCCCCCCCC CNP0334014.0 [0,1,0,0,0,0|1,0,0]=2 117 B14R0.337 C=CCCCCCCCCCC(=O)C=C CNP0297980.0 [0,1,0,0,0,0|1,0,2]=4 118 B14R0.337 CCC=CCCCCCCCC(=O)OC CNP0086356.0 [0,1,0,0,0,0|0,0,2]=3 119 B14R0.337 CCCCCCCCCC=CC(=O)OC CNP0281832.0 [0,1,0,0,0,0|0,0,2]=3 120 B14R0.337 CCCCCCCCCCCC(=O)CC CNP0260208.0 [0,1,0,0,0,0|1,0,0]=2 121 B14R0.337 CCCCCCCCCCCC(=O)CO CNP0162178.0 [0,1,0,0,0,0|0,0,0]=1 122 B14R0.337 CCCCCCCCCCCC(=O)OC CNP0307835.0 [0,1,0,0,0,0|0,0,0]=1 123 B14R0.337 CCCCCCCCCCC[C@H](C)CC CNP0294304.1 [0,1,0,0,0,0|2,0,1]=4 124 B14R0.337 CCCCCCCCCCOC(=O)CBr CNP0132290.0 [0,1,0,0,0,0|2,0,0]=3 125 B14R0.337 CCCCCCCCCCOC(=O)CC CNP0097861.0 [0,1,0,0,0,0|2,0,0]=3 126 B14R0.337 COC(=O)CCCCCCCC=CCO CNP0233627.0 [0,1,0,0,0,0|1,0,2]=4 127 B14R0.337 COC(=O)CCCCCCCCCC=O CNP0314293.0 [0,1,0,0,0,0|1,0,1]=3 128 B14R0.340 CCCCCCCCCCC(C)C(=O)C CNP0499802.0 [0,1,0,0,0,0|1,0,0]=2 129 B14R0.340 CCCCCCCCCC[C@@H](C)C(=O)O CNP0172373.1 [0,1,0,0,0,0|0,0,0]=1 130 B14R0.340 CCCCCCCCCC[C@@H](O)C(=O)O CNP0195070.1 [0,1,0,0,0,0|0,0,0]=1 131 B14R0.340 CCCCCCCCCC[C@H](O)C(=O)O CNP0195070.2 [0,1,0,0,0,0|0,0,0]=1 132 B14R0.340 CSCCCCCCCCC(=O)C(=O)O CNP0295831.0 [0,1,0,0,0,0|1,0,1]=3 133 B14R0.340 CSCCCCCCCC[C@H](N)C(=O)O CNP0359900.1 [0,1,0,0,0,0|1,0,0]=2 134 B14R0.340 NCCCCNCCCC[C@H](N)C(=O)O CNP0157534.1 [0,1,0,0,0,0|2,0,0]=3 135 B14R0.344 CCCCCCCCC(=O)NCC(=O)O CNP0001598.0 [0,1,0,0,0,0|1,0,1]=3 136 B14R0.344 CCCCCCCCC(C)CCC(=O)O CNP0598565.0 [0,1,0,0,0,0|0,0,0]=1 137 B14R0.344 CCCCCCCCC(C)CCC(C)C CNP0072523.0 [0,1,0,0,0,0|2,0,1]=4 138 B14R0.344 CCCCCCCC[C@@H](O)C#CC(=O)O CNP0458691.1 [0,1,0,0,0,0|0,0,2]=3 139 B14R0.344 CCCCCCCC[C@@H](O)CCC(=O)O CNP0550827.1 [0,1,0,0,0,0|0,0,0]=1 140 B14R0.344 CCCCCCCC[C@H](O)C#CC(=O)O CNP0458691.2 [0,1,0,0,0,0|0,0,2]=3 141 B14R0.344 CCCCCCCC[C@H](O)CCC(=O)O CNP0550827.2 [0,1,0,0,0,0|0,0,0]=1 142 B14R0.344 O=C(O)COC(=O)CCCCCCCO CNP0473972.0 [0,1,0,0,0,0|2,0,1]=4 143 B14R0.391 CCCCC/C=C\CC[C@@H](O)CC(=O)O CNP0299790.1 [0,1,0,0,0,0|0,0,2]=3 144 B14R0.391 CCCCCC/C=C\C[C@@H](O)CC(=O)O CNP0293461.1 [0,1,0,0,0,0|0,0,2]=3 145 B14R0.391 CCCCCC/C=C\C[C@H](O)CC(=O)O CNP0293461.2 [0,1,0,0,0,0|0,0,2]=3 146 B14R0.391 CCCCCCC=CCC(C)CC(=O)O CNP0071919.0 [0,1,0,0,0,0|0,0,2]=3 147 B14R0.391 CCCCCCCCCC(=O)CC(=O)O CNP0069141.0 [0,1,0,0,0,0|0,0,1]=2 148 B14R0.391 CCCCCCCCC[C@@H](C)OC(=O)C CNP0165028.2 [0,1,0,0,0,0|2,0,0]=3 149 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O CNP0220266.1 [0,1,0,0,0,0|0,0,0]=1 150 B14R0.391 CCCCCCCCC[C@H](C)OC(=O)C CNP0165028.1 [0,1,0,0,0,0|2,0,0]=3 151 B14R0.391 CCCCCCCCC[C@H](O)CC(=O)O CNP0220266.2 [0,1,0,0,0,0|0,0,0]=1 152 B14R0.394 C#CCCCCCCCCCCC(=O)C CNP0503056.0 [0,1,0,0,0,0|1,0,1]=3 153 B14R0.394 C=CCCCCCCCCCOC(=O)C CNP0003547.0 [0,1,0,0,0,0|1,0,2]=4 154 B14R0.394 CC(C)CCCCCCCCCCCN CNP0301011.0 [0,1,0,0,0,0|2,0,1]=4 155 B14R0.394 CC=CCCCCCCCCOC(=O)C CNP0308487.0 [0,1,0,0,0,0|1,0,2]=4 156 B14R0.394 CCCC=CCCCCCCOC(=O)C CNP0162411.0 [0,1,0,0,0,0|1,0,2]=4 157 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [0,1,0,0,0,0|0,0,1]=2 158 B14R0.394 CCCCCCC=CCCCCC(=O)C CNP0245771.0 [0,1,0,0,0,0|1,0,1]=3 159 B14R0.394 CCCCCCCC=CC=CCC(=O)O CNP0547274.0 [0,1,0,0,0,0|0,0,3]=4 160 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [0,1,0,0,0,0|0,0,1]=2 161 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [0,1,0,0,0,0|1,0,0]=2 162 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [0,1,0,0,0,0|1,0,0]=2 163 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [0,1,0,0,0,0|0,0,0]=1 164 B14R0.394 CCCCCCCCCCCCC(C)C CNP0391491.0 [0,1,0,0,0,0|2,0,1]=4 165 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [0,1,0,0,0,0|1,0,1]=3 166 B14R0.394 CCCCCCCCCCCCN(C)C CNP0476829.0 [0,1,0,0,0,0|3,0,0]=4 167 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [0,1,0,0,0,0|1,0,0]=2 168 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [0,1,0,0,0,0|0,0,0]=1 169 B14R0.394 O=C(O)CCCCCCCC=CCCO CNP0178804.0 [0,1,0,0,0,0|0,0,2]=3 170 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [0,1,0,0,0,0|0,0,0]=1 171 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [0,1,0,0,0,0|0,0,0]=1 172 B14R0.394 O=CC=CCCCCCCCCC(=O)O CNP0296195.0 [0,1,0,0,0,0|0,0,3]=4 173 B14R0.394 O=CCC=CCCCCCCCC(=O)O CNP0032750.0 [0,1,0,0,0,0|0,0,3]=4 174 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [0,1,0,0,0,0|0,0,0]=1 175 B14R0.432 CCCC(C)CCCCCCCC(=O)O CNP0278697.0 [0,1,0,0,0,0|0,0,0]=1 176 B14R0.432 CCC[C@@H](C)CCCCCCCC(=O)C CNP0218330.1 [0,1,0,0,0,0|1,0,0]=2 177 B14R0.432 CCC[C@H](O)CCCCCCCC(=O)O CNP0325800.1 [0,1,0,0,0,0|0,0,0]=1 178 B14R0.432 CCOC(=O)CCCCCCCC(=O)O CNP0155089.0 [0,1,0,0,0,0|1,0,1]=3 179 B14R0.2224 CCCCCC[C@H](O)CCCCC(=O)O CNP0295458.1 [0,1,0,0,0,0|0,0,0]=1 180 B14R1.26 CCCCCCC[C@@H]1CC=CC(=O)O1 CNP0175844.1 [0,0,0,1,0,0|0,0,2]=3 181 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 CNP0316484.1 [0,0,0,1,0,0|0,0,0]=1 182 B14R1.122 CCCCC/C=C/C[C@@H]1CCC(=O)O1 CNP0208703.2 [0,0,0,1,0,0|0,0,2]=3 183 B14R1.122 CCCCC/C=C/C[C@H]1CCC(=O)O1 CNP0208703.1 [0,0,0,1,0,0|0,0,2]=3 184 B14R1.122 CCCCC/C=C\C[C@@H]1CCC(=O)O1 CNP0208703.3 [0,0,0,1,0,0|0,0,2]=3 185 B14R1.122 CCCCC/C=C\C[C@H]1CCC(=O)O1 CNP0208703.4 [0,0,0,1,0,0|0,0,2]=3 186 B14R1.122 CCCCCC/C=C/[C@@H]1CCC(=O)O1 CNP0179736.1 [0,0,0,1,0,0|0,0,2]=3 187 B14R1.122 CCCCCC/C=C/[C@H]1CCC(=O)O1 CNP0179736.3 [0,0,0,1,0,0|0,0,2]=3 188 B14R1.122 CCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0179736.2 [0,0,0,1,0,0|0,0,2]=3 189 B14R1.122 CCCCCCCC[C@@H]1CCC(=O)O1 CNP0390908.2 [0,0,0,1,0,0|0,0,0]=1 190 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 CNP0390908.1 [0,0,0,1,0,0|0,0,0]=1 191 B14R1.241 C[C@H]1O[C@H]1CCCCCCCC(=O)O CNP0262619.1 [0,0,0,1,0,0|1,0,0]=2 192 B14R1.326 CC1CCCCC=CCCCC(=O)O1 CNP0304698.0 [0,0,0,1,0,0|0,0,2]=3 193 B14R1.326 CC1CCCCCCCCCC(=O)O1 CNP0584711.0 [0,0,0,1,0,0|0,0,0]=1 194 B14R1.326 C[C@@H]1C/C=C/CCCCCCC(=O)O1 CNP0142568.1 [0,0,0,1,0,0|0,0,2]=3 195 B14R1.326 C[C@@H]1C/C=C\CCCCCCC(=O)O1 CNP0142568.3 [0,0,0,1,0,0|0,0,2]=3 196 B14R1.326 C[C@@H]1CCCCCC/C=C\CC(=O)O1 CNP0330088.2 [0,0,0,1,0,0|0,0,2]=3 197 B14R1.326 C[C@H]1C/C=C/CCCCCCC(=O)O1 CNP0142568.2 [0,0,0,1,0,0|0,0,2]=3 198 B14R1.326 C[C@H]1CCCC/C=C\CCCC(=O)O1 CNP0304698.1 [0,0,0,1,0,0|0,0,2]=3 199 B14R1.326 C[C@H]1CCCCCC/C=C\CC(=O)O1 CNP0330088.1 [0,0,0,1,0,0|0,0,2]=3 200 B14R1.427 O=C(O)CCCCCC[C@@H]1C=CCC1 CNP0191653.1 [0,0,0,1,0,0|0,0,2]=3 201 B14R1.427 O=C(O)CCCCCC[C@H]1C=CCC1 CNP0191653.2 [0,0,0,1,0,0|0,0,2]=3 202 B14R1.1252 CCCCCCC1CCCCC(=O)O1 CNP0301204.0 [0,0,0,1,0,0|0,0,0]=1 203 B14R1.1252 CCCCCC[C@H]1CC(=O)CCSS1 CNP0264209.1 [0,0,0,1,0,0|3,0,0]=4 204 B14R1.4408 O=C1CC=CCCCCCCCCO1 CNP0106632.0 [0,0,0,1,0,0|0,0,2]=3 205 B14R1.4408 O=C1CCCCCCCC=CCCO1 CNP0208635.0 [0,0,0,1,0,0|0,0,2]=3 206 B14R1.4408 O=C1CCCCCCCCC=CCO1 CNP0609723.0 [0,0,0,1,0,0|0,0,2]=3 207 B14R1.4408 O=C1CCCCCCCCCCCO1 CNP0320182.0 [0,0,0,1,0,0|0,0,0]=1 208 B14R1.4728 CCCCCCCC[C@@H]1C[C@@H]1C(=O)N CNP0285116.2 [0,0,0,1,0,0|1,0,0]=2 209 B14R1.4728 CCCCCCCC[C@@H]1C[C@H]1C(=O)N CNP0285116.3 [0,0,0,1,0,0|1,0,0]=2 210 B14R1.4728 CCCCCCCC[C@H]1C[C@@H]1C(=O)N CNP0285116.1 [0,0,0,1,0,0|1,0,0]=2 211 B14R1.4728 CCCCCCCC[C@H]1C[C@H]1C(=O)N CNP0285116.4 [0,0,0,1,0,0|1,0,0]=2 212 B14R1.4728 CCCCCCCC[C@H]1O[C@@H]1C(=O)C CNP0337041.1 [0,0,0,1,0,0|2,0,0]=3 213 B14R1.5883 CC1CCCCCCCCCC1(C)C CNP0611979.0 [0,0,0,1,0,0|2,0,1]=4 214 B14R1.6388 O=C(O)CCCCCCCCC1CC1 CNP0507777.0 [0,0,0,1,0,0|0,0,0]=1 215 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [2,0,0,0,0,0|0,0,2]=4 216 B11R0.3 C#CCCCCCCCCCO CNP0539400.0 [2,0,0,0,0,0|0,0,2]=4 217 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [2,0,0,0,0,0|0,0,2]=4 218 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [2,0,0,0,0,0|1,0,1]=4 219 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [2,0,0,0,0,0|0,0,1]=3 220 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [2,0,0,0,0,0|0,0,2]=4 221 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [2,0,0,0,0,0|0,0,2]=4 222 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [2,0,0,0,0,0|1,0,1]=4 223 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [2,0,0,0,0,0|0,0,2]=4 224 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [2,0,0,0,0,0|0,0,2]=4 225 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [2,0,0,0,0,0|0,0,2]=4 226 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [2,0,0,0,0,0|0,0,2]=4 227 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [2,0,0,0,0,0|0,0,2]=4 228 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [2,0,0,0,0,0|1,0,1]=4 229 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [2,0,0,0,0,0|0,0,0]=2 230 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [2,0,0,0,0,0|0,0,1]=3 231 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [2,0,0,0,0,0|0,0,0]=2 232 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [2,0,0,0,0,0|1,0,1]=4 233 B11R0.3 CCCCCCCCCCON CNP0565549.0 [2,0,0,0,0,0|2,0,0]=4 234 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [2,0,0,0,0,0|1,0,0]=3 235 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [2,0,0,0,0,0|1,0,1]=4 236 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [2,0,0,0,0,0|1,0,0]=3 237 B11R0.3 OCCCCCCCCNCO CNP0481493.0 [2,0,0,0,0,0|2,0,0]=4 238 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [2,0,0,0,0,0|0,0,1]=3 239 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [2,0,0,0,0,0|0,0,2]=4 240 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [2,0,0,0,0,0|0,0,2]=4 241 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [2,0,0,0,0,0|0,0,2]=4 242 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [2,0,0,0,0,0|0,0,2]=4 243 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [2,0,0,0,0,0|0,0,2]=4 244 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [2,0,0,0,0,0|0,0,2]=4 245 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [2,0,0,0,0,0|0,0,2]=4 246 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [2,0,0,0,0,0|0,0,2]=4 247 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [2,0,0,0,0,0|0,0,2]=4 248 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [2,0,0,0,0,0|1,0,0]=3 249 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [2,0,0,0,0,0|1,0,0]=3 250 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [2,0,0,0,0,0|1,0,0]=3 251 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [2,0,0,0,0,0|0,0,0]=2 252 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [2,0,0,0,0,0|0,1,0]=3 253 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [2,0,0,0,0,0|0,0,1]=3 254 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [2,0,0,0,0,0|0,0,1]=3 255 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [2,0,0,0,0,0|0,0,1]=3 256 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [2,0,0,0,0,0|0,0,1]=3 257 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [2,0,0,0,0,0|0,0,1]=3 258 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [2,0,0,0,0,0|1,0,1]=4 259 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [2,0,0,0,0,0|1,0,1]=4 260 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [2,0,0,0,0,0|2,0,0]=4 261 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [2,0,0,0,0,0|2,0,0]=4 262 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [2,0,0,0,0,0|2,0,0]=4 263 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [2,0,0,0,0,0|1,0,0]=3 264 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [2,0,0,0,0,0|1,0,0]=3 265 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [2,0,0,0,0,0|1,0,1]=4 266 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [1,1,0,0,0,0|0,0,1]=3 267 B13R0.2 CCCCCCCCCC(C)CCC CNP0097879.0 [1,1,0,0,0,0|1,0,1]=4 268 B13R0.2 CCOC(=O)CCCCCCCC=O CNP0276438.0 [1,1,0,0,0,0|1,0,1]=4 269 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [1,1,0,0,0,0|0,0,2]=4 270 B13R0.147 CCCCCCCCCC[C@@H](C)CC CNP0232099.1 [1,1,0,0,0,0|1,0,1]=4 271 B13R0.147 CC[C@@H](C)CCCCCCCCCO CNP0238947.2 [1,1,0,0,0,0|0,0,1]=3 272 B13R0.147 CC[C@H](C)CCCCCCCCCO CNP0238947.1 [1,1,0,0,0,0|0,0,1]=3 273 B13R0.165 C=CCCCC[C@H](C)CCCCCC CNP0424627.1 [1,1,0,0,0,0|1,0,0]=3 274 B13R0.165 CCCCCCC(O)CCCCCC CNP0082295.0 [1,1,0,0,0,0|1,0,1]=4 275 B13R0.336 C#CCCCCCCCCCCCC CNP0579427.0 [1,1,0,0,0,0|1,0,1]=4 276 B13R0.336 C=CCCCCCCC=CCCCC CNP0527141.0 [1,1,0,0,0,0|1,0,1]=4 277 B13R0.336 C=CCCCCCCCCCCC=C CNP0252871.0 [1,1,0,0,0,0|1,0,1]=4 278 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [1,1,0,0,0,0|1,0,0]=3 279 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [1,1,0,0,0,0|1,0,0]=3 280 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [1,1,0,0,0,0|1,0,0]=3 281 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [1,1,0,0,0,0|0,0,2]=4 282 B13R0.336 CCC=CCCCCCCCCCC CNP0003426.0 [1,1,0,0,0,0|1,0,1]=4 283 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [1,1,0,0,0,0|0,0,2]=4 284 B13R0.336 CCCCC=CCCCCCCCO CNP0171301.0 [1,1,0,0,0,0|0,0,2]=4 285 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [1,1,0,0,0,0|0,0,1]=3 286 B13R0.336 CCCCCCCCC=CCCCO CNP0351626.0 [1,1,0,0,0,0|0,0,2]=4 287 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [1,1,0,0,0,0|0,0,1]=3 288 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [1,1,0,0,0,0|0,0,1]=3 289 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [1,1,0,0,0,0|0,0,0]=2 290 B13R0.336 CCCCCCCCCCCC=NO CNP0018714.0 [1,1,0,0,0,0|0,0,0]=2 291 B13R0.336 CCCCCCCCCCCCC#N CNP0226803.0 [1,1,0,0,0,0|1,0,1]=4 292 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [1,1,0,0,0,0|0,0,0]=2 293 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [1,1,0,0,0,0|1,0,1]=4 294 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [1,1,0,0,0,0|1,0,1]=4 295 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [1,1,0,0,0,0|1,0,1]=4 296 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [1,1,0,0,0,0|0,0,1]=3 297 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [1,1,0,0,0,0|0,0,0]=2 298 B13R0.336 OCCCCCCCCCCCCBr CNP0591539.0 [1,1,0,0,0,0|0,0,1]=3 299 B13R0.336 OCCCCCCCCCCCCO CNP0172707.0 [1,1,0,0,0,0|0,0,1]=3 300 B13R0.338 CCCCCCCC(N)CCCCC CNP0427184.0 [1,1,0,0,0,0|1,0,1]=4 301 B13R0.338 CCCCCCC[C@H](C)CCCCC CNP0183278.1 [1,1,0,0,0,0|1,0,1]=4 302 B13R0.1 CCCCCCC(O)CCOC(=O)C CNP0003220.0 [1,1,0,0,0,0|2,0,0]=4 303 B13R0.1 CCCCCC[C@@H](O)C/C=C/C(=O)O CNP0159289.2 [1,1,0,0,0,0|0,0,2]=4 304 B13R0.1 CCCCCC[C@H](O)C/C=C/C(=O)O CNP0159289.1 [1,1,0,0,0,0|0,0,2]=4 305 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [1,1,0,0,0,0|0,0,0]=2 306 B13R0.150 CCCCCCCCCC(C)C(=O)C CNP0524122.0 [1,1,0,0,0,0|1,0,0]=3 307 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [1,1,0,0,0,0|0,0,0]=2 308 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [1,1,0,0,0,0|0,0,0]=2 309 B13R0.150 CSCCCCCCCC(=O)C(=O)O CNP0352754.0 [1,1,0,0,0,0|1,0,1]=4 310 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [1,1,0,0,0,0|1,0,0]=3 311 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [1,1,0,0,0,0|0,0,1]=3 312 B13R0.154 CCCCCCCC(=O)NCC(=O)O CNP0052738.0 [1,1,0,0,0,0|1,0,1]=4 313 B13R0.179 CC(=O)CCCCCCCCC(C)C CNP0219481.0 [1,1,0,0,0,0|1,0,0]=3 314 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [1,1,0,0,0,0|0,0,0]=2 315 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [1,1,0,0,0,0|0,0,0]=2 316 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [1,1,0,0,0,0|0,0,0]=2 317 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)N CNP0508234.0 [1,1,0,0,0,0|2,0,0]=4 318 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [1,1,0,0,0,0|1,0,0]=3 319 B13R0.179 O=C(O)CCCCCCCCC(=O)O CNP0311812.0 [1,1,0,0,0,0|1,0,1]=4 320 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [1,1,0,0,0,0|0,0,1]=3 321 B13R0.188 NCSCCC(S)CCCCC(=O)O CNP0046006.0 [1,1,0,0,0,0|2,0,0]=4 322 B13R0.202 C=C[C@@H](O)CCCCCCCC(=O)O CNP0388665.1 [1,1,0,0,0,0|0,0,2]=4 323 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [1,1,0,0,0,0|0,0,0]=2 324 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [1,1,0,0,0,0|0,0,0]=2 325 B13R0.202 COC(=O)CCCCCCCC(=O)O CNP0202412.0 [1,1,0,0,0,0|1,0,1]=4 326 B13R0.280 CCCCCCCCCCP(=O)(C)C CNP0504286.0 [1,1,0,0,0,0|2,0,0]=4 327 B13R0.280 CCCCCCCCCCS(=O)(=O)O CNP0529919.0 [1,1,0,0,0,0|1,0,0]=3 328 B13R0.280 CCCCCCCCCNS(=O)(=O)O CNP0476345.0 [1,1,0,0,0,0|2,0,0]=4 329 B13R0.280 CCCCCCCCCOS(=O)(=O)O CNP0359482.0 [1,1,0,0,0,0|2,0,0]=4 330 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [1,1,0,0,0,0|0,0,0]=2 331 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [1,1,0,0,0,0|1,0,0]=3 332 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [1,1,0,0,0,0|1,0,0]=3 333 B15R0.110 CCCC(O)CC=CC(O)CCCC(=O)O CNP0115175.0 [0,2,0,0,0,0|0,0,2]=4 334 B15R0.137 C/C=C(\C)/CCC[C@@H](O)CCCCCCC CNP0328255.1 [0,2,0,0,0,0|2,0,0]=4 335 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC CNP0207879.0 [0,2,0,0,0,0|0,0,1]=3 336 B15R0.221 CC(O)CCCCCC(O)CC=CC(=O)O CNP0427333.0 [0,2,0,0,0,0|0,0,2]=4 337 B15R0.323 CCCCCCCC(C)CC[C@@H](C)C(=O)O CNP0218041.1 [0,2,0,0,0,0|0,0,0]=2 338 B15R0.323 CCCCCCC[C@H](C)CC[C@@H](C)C(=O)O CNP0218041.2 [0,2,0,0,0,0|0,0,0]=2 339 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C CNP0246375.0 [0,2,0,0,0,0|1,0,1]=4 340 B15R0.3451 CCCC[C@@H](O)C#C[C@@H](O)CCCC(=O)O CNP0191836.1 [0,2,0,0,0,0|0,0,2]=4 341 B15R0.226 CC(=O)CCCCCCC[C@@H](O)CC(=O)O CNP0597483.1 [0,2,0,0,0,0|0,0,1]=3 342 B15R0.226 CC(=O)O[C@H](C)CCCCCCCC(=O)O CNP0118107.1 [0,2,0,0,0,0|1,0,1]=4 343 B15R0.226 CC(O)CC(O)CCCCCC=CC(=O)O CNP0433239.0 [0,2,0,0,0,0|0,0,2]=4 344 B15R0.226 CC(O)CCCCCCCC(O)CC(=O)O CNP0207161.0 [0,2,0,0,0,0|0,0,0]=2 345 B15R0.226 C[C@@H](O)C[C@@H](O)C/C=C/CCCCC(=O)O CNP0567737.1 [0,2,0,0,0,0|0,0,2]=4 346 B15R0.247 CCC(C)CCCCCCCCCC(=O)C CNP0353149.0 [0,2,0,0,0,0|1,0,0]=3 347 B15R0.247 CC[C@@H](C)CCCCCCCCCC(=O)O CNP0191743.2 [0,2,0,0,0,0|0,0,0]=2 348 B15R0.247 CC[C@@H](O)/C=C/CCCCCCCC(=O)O CNP0151189.1 [0,2,0,0,0,0|0,0,1]=3 349 B15R0.247 CC[C@H](C)CCCCCCCCCC(=O)O CNP0191743.1 [0,2,0,0,0,0|0,0,0]=2 350 B15R0.247 CC[C@H](O)/C=C/CCCCCCCC(=O)O CNP0151189.2 [0,2,0,0,0,0|0,0,1]=3 351 B15R0.247 COC(=O)CCCCCCCCCC(C)C CNP0027527.0 [0,2,0,0,0,0|0,0,0]=2 352 B15R0.247 COC(=O)CCCCCCCCC[C@@H](C)O CNP0259120.1 [0,2,0,0,0,0|0,0,0]=2 353 B15R0.247 O=C(O)CCCCCCCCC[C@@H](O)CO CNP0168722.1 [0,2,0,0,0,0|0,0,0]=2 354 B15R0.2662 CC(C)(O)CCCCCCCCCC(=O)N CNP0383505.0 [0,2,0,0,0,0|1,0,0]=3 355 B15R0.2662 CC(C)CCCCCCCCNS(=O)(=O)O CNP0445726.0 [0,2,0,0,0,0|2,0,0]=4 356 B15R0.2662 CS(=O)(=O)CCCCCCCCCC(=O)N CNP0394604.0 [0,2,0,0,0,0|2,0,0]=4 357 B15R0.2702 C[C@@H](O)[C@H](O)CCCCCCCCC(=O)O CNP0182874.1 [0,2,0,0,0,0|0,0,0]=2 358 B15R0.2702 C[S+]([O-])CCCCCCCCC(N)C(=O)O CNP0492621.0 [0,2,0,0,0,0|1,0,0]=3 359 B15R0.2704 CC(C)CCCCCC[C@@H](C)CCC(=O)O CNP0359154.1 [0,2,0,0,0,0|0,0,0]=2 360 B15R0.2704 C[C@@H](O)CCCCCC[C@H](O)/C=C/C(=O)O CNP0236951.1 [0,2,0,0,0,0|0,0,2]=4 361 B15R0.2704 C[C@H](O)CCCCCC[C@@H](O)/C=C/C(=O)O CNP0236951.2 [0,2,0,0,0,0|0,0,2]=4 362 B15R0.5184 CC(=O)CCCCC(=O)CCCCC(=O)O CNP0004904.0 [0,2,0,0,0,0|0,0,2]=4 363 B15R0.5184 NC(CCCCC(=O)O)CCCCC(=O)O CNP0365840.0 [0,2,0,0,0,0|1,0,1]=4 364 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O CNP0533311.0 [0,2,0,0,0,0|1,0,0]=3 365 B15R0.252 O=P(O)(O)CCCCCCCCCCCO CNP0496595.0 [0,2,0,0,0,0|1,0,0]=3 366 B15R0.254 CCCCCCCCCCC[P@](=O)(O)OC CNP0506108.1 [0,2,0,0,0,0|1,0,0]=3 367 B15R0.209 CCCC[C@@H](O)CCCCCCC(=O)OC CNP0281979.1 [0,2,0,0,0,0|0,0,0]=2 368 B15R0.193 CCCCCC[C@H](O)CCCCCC(=O)O CNP0170541.1 [0,2,0,0,0,0|0,0,0]=2 369 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC CNP0320441.0 [0,2,0,0,0,0|0,0,1]=3 370 B15R0.1566 CCCCC[C@@H](/C=C/CCCC(=O)O)OC CNP0244641.1 [0,2,0,0,0,0|0,0,2]=4 371 B15R0.1566 CCCCC[C@@H](C/C=C/CCC(=O)O)OC CNP0143123.1 [0,2,0,0,0,0|0,0,2]=4 372 B15R0.111 CCCC(C)CCCCCCCCC(=O)O CNP0227243.0 [0,2,0,0,0,0|0,0,0]=2 373 B15R0.172 CCC(=O)CCCCCCCCC(C)CC CNP0284050.0 [0,2,0,0,0,0|1,0,0]=3 374 B15R0.172 CC[C@@H](C)CCCCCCCCC(=O)OC CNP0309732.1 [0,2,0,0,0,0|0,0,0]=2 375 B15R0.172 CC[C@H](C)CCCCCCCCC(=O)OC CNP0309732.2 [0,2,0,0,0,0|0,0,0]=2 376 B15R0.172 COC(=O)CCCCCCCCC(=O)OC CNP0302547.0 [0,2,0,0,0,0|1,0,1]=4 377 B15R0.2076 CC[C@@H](C)CCCCC[C@@H](C)CCC(=O)O CNP0313932.1 [0,2,0,0,0,0|0,0,0]=2 378 B15R0.81 CCCCCCCCCCC=CC(=O)OC CNP0291148.0 [0,2,0,0,0,0|0,0,1]=3 379 B15R0.81 CCCCCCCCCCCCC(=O)OC CNP0210866.0 [0,2,0,0,0,0|0,0,0]=2 380 B15R0.81 CCCCCCCCCCCC[C@H](O)CO CNP0295554.1 [0,2,0,0,0,0|0,0,2]=4 381 B15R0.81 CCCCCCCCCCCOC(=O)CC CNP0236979.0 [0,2,0,0,0,0|1,0,0]=3 382 B15R0.81 COC(=O)CCCCCCCC=CCCO CNP0332831.0 [0,2,0,0,0,0|0,0,2]=4 383 B15R0.81 COC(=O)CCCCCCCCCCCO CNP0267260.0 [0,2,0,0,0,0|0,0,0]=2 384 B15R0.84 C=C(C)C(=O)OCCCCCCCCCC CNP0077255.0 [0,2,0,0,0,0|2,0,0]=4 385 B15R0.84 CCCCCCCCCCCC(C)C(=O)O CNP0596867.0 [0,2,0,0,0,0|0,0,0]=2 386 B15R0.84 CCCCCCCCCCCC(N)C(=O)O CNP0041447.0 [0,2,0,0,0,0|0,0,0]=2 387 B15R0.84 CCCCCCCCCCC[C@@H](C)C(=O)C CNP0377330.1 [0,2,0,0,0,0|1,0,0]=3 388 B15R0.84 CCCCCCCCCCC[C@@H](O)C(=O)O CNP0340683.1 [0,2,0,0,0,0|0,0,0]=2 389 B15R0.84 CCCCCCCCCCC[C@@H](O)[C@H](C)N CNP0291425.1 [0,2,0,0,0,0|1,0,1]=4 390 B15R0.84 CCCCCCCCCCC[C@H](O)[C@@H](C)N CNP0291425.3 [0,2,0,0,0,0|1,0,1]=4 391 B15R0.84 CCCCCCCCCCC[C@H](O)[C@H](C)N CNP0291425.2 [0,2,0,0,0,0|1,0,1]=4 392 B15R0.84 CCCCCCCCCCOC(=O)C(C)C CNP0611686.0 [0,2,0,0,0,0|2,0,0]=4 393 B15R0.84 CCCCCCCCCCOC(=O)C(Cl)Cl CNP0086443.0 [0,2,0,0,0,0|2,0,0]=4 394 B15R0.84 CCCCCCCCCSC[C@H](N)C(=O)O CNP0590207.1 [0,2,0,0,0,0|0,0,0]=2 395 B15R0.253 CCCCCCCCCCCC(OC)OC CNP0003282.0 [0,2,0,0,0,0|0,0,2]=4 396 B15R0.324 CCCCCCCCCC[C@@H](C)C(=O)OC CNP0245672.1 [0,2,0,0,0,0|0,0,0]=2 397 B15R0.366 C=COC(=O)CCCCCCCCCCC CNP0315574.0 [0,2,0,0,0,0|0,0,0]=2 398 B15R0.366 CCCCCCCCCC=CC(=O)OCC CNP0203006.0 [0,2,0,0,0,0|0,0,2]=4 399 B15R0.366 CCCCCCCCCCCC(=O)CC=O CNP0349328.0 [0,2,0,0,0,0|0,0,1]=3 400 B15R0.366 CCCCCCCCCCCC(=O)CCO CNP0280181.0 [0,2,0,0,0,0|0,0,0]=2 401 B15R0.366 CCCCCCCCCCCC(=O)NCC CNP0001305.0 [0,2,0,0,0,0|1,0,0]=3 402 B15R0.366 CCCCCCCCCCCC(=O)OCC CNP0263071.0 [0,2,0,0,0,0|0,0,0]=2 403 B15R0.366 CCCCCCCCCCOC(=O)CCC CNP0186393.0 [0,2,0,0,0,0|2,0,0]=4 404 B15R0.366 CCOC(=O)CCCCCCCCCC=O CNP0279106.0 [0,2,0,0,0,0|1,0,1]=4 405 B15R0.2405 CCCCCCCCC(=O)CCC(=O)OC CNP0158431.0 [0,2,0,0,0,0|0,0,1]=3 406 B15R0.3221 CCCCCCCCCC(=CC(=O)OC)C CNP0230553.0 [0,2,0,0,0,0|0,0,2]=4 407 B15R0.3221 CCCCCCCCC[C@H](C)CC(=O)OC CNP0308441.1 [0,2,0,0,0,0|0,0,0]=2 408 B15R0.386 NCC[C@H](O)CNCCCC[C@H](N)C(=O)O CNP0414617.1 [0,2,0,0,0,0|2,0,0]=4 409 B15R0.1997 CCCCCCCCCCC(CC)C(=O)O CNP0612175.0 [0,2,0,0,0,0|0,0,0]=2 410 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O CNP0004511.0 [0,2,0,0,0,0|0,0,1]=3 411 B15R0.88 CCCCCCCCC[C@H](O)CNC(=O)C CNP0276757.1 [0,2,0,0,0,0|1,0,0]=3 412 B15R0.3245 CCCCCCCC[C@H](O)[C@@H](C)NC(=O)C CNP0315647.1 [0,2,0,0,0,0|2,0,0]=4 413 B15R0.69 CCCCCCCCCCC(C)CC(=O)O CNP0273459.0 [0,2,0,0,0,0|0,0,0]=2 414 B15R0.69 CCCCCCCCCC[C@H](C)OC(=O)C CNP0204455.1 [0,2,0,0,0,0|1,0,0]=3 415 B15R0.69 CCCCCCCCCC[C@H](O)CC(=O)O CNP0272673.1 [0,2,0,0,0,0|0,0,0]=2 416 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [0,2,0,0,0,0|2,0,0]=4 417 B15R0.164 C=CCCCCCCCCCCOC(=O)C CNP0406625.0 [0,2,0,0,0,0|1,0,1]=4 418 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [0,2,0,0,0,0|1,0,0]=3 419 B15R0.164 CC=CCCCCCCCCCOC(=O)C CNP0230290.0 [0,2,0,0,0,0|1,0,1]=4 420 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [0,2,0,0,0,0|0,0,0]=2 421 B15R0.164 CCC=CCCCCCCCCOC(=O)C CNP0132176.0 [0,2,0,0,0,0|1,0,1]=4 422 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [0,2,0,0,0,0|0,0,0]=2 423 B15R0.164 CCCC=CCCCCCCCOC(=O)C CNP0304445.0 [0,2,0,0,0,0|1,0,1]=4 424 B15R0.164 CCCCC#CC#CCCCCCC(=O)O CNP0184713.0 [0,2,0,0,0,0|0,0,2]=4 425 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [0,2,0,0,0,0|0,0,0]=2 426 B15R0.164 CCCCC=CCCCCCCOC(=O)C CNP0179053.0 [0,2,0,0,0,0|1,0,1]=4 427 B15R0.164 CCCCCC=CCC=CCCCC(=O)O CNP0252113.0 [0,2,0,0,0,0|0,0,2]=4 428 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [0,2,0,0,0,0|0,0,0]=2 429 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [0,2,0,0,0,0|1,0,0]=3 430 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [0,2,0,0,0,0|0,0,0]=2 431 B15R0.164 CCCCCCC=CCCCCOC(=O)C CNP0212830.0 [0,2,0,0,0,0|1,0,1]=4 432 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [0,2,0,0,0,0|0,0,0]=2 433 B15R0.164 CCCCCCCC=CCCCOC(=O)C CNP0503025.0 [0,2,0,0,0,0|1,0,1]=4 434 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [0,2,0,0,0,0|0,0,0]=2 435 B15R0.164 CCCCCCCCC=CC=CCC(=O)O CNP0209964.0 [0,2,0,0,0,0|0,0,2]=4 436 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [0,2,0,0,0,0|0,0,0]=2 437 B15R0.164 CCCCCCCCC=CCCOC(=O)C CNP0610375.0 [0,2,0,0,0,0|1,0,1]=4 438 B15R0.164 CCCCCCCCCC=CC=CC(=O)O CNP0188922.0 [0,2,0,0,0,0|0,0,2]=4 439 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [0,2,0,0,0,0|0,0,0]=2 440 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [0,2,0,0,0,0|0,0,0]=2 441 B15R0.164 CCCCCCCCCCC=COC(=O)C CNP0375176.0 [0,2,0,0,0,0|1,0,1]=4 442 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [0,2,0,0,0,0|0,0,0]=2 443 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [0,2,0,0,0,0|1,0,0]=3 444 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [0,2,0,0,0,0|1,0,0]=3 445 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [0,2,0,0,0,0|1,0,0]=3 446 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [0,2,0,0,0,0|0,0,0]=2 447 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [0,2,0,0,0,0|0,0,1]=3 448 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [0,2,0,0,0,0|0,0,1]=3 449 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [0,2,0,0,0,0|0,0,1]=3 450 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [0,2,0,0,0,0|0,0,1]=3 451 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [0,2,0,0,0,0|0,0,1]=3 452 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [0,2,0,0,0,0|0,0,1]=3 453 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [0,2,0,0,0,0|0,0,1]=3 454 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [0,2,0,0,0,0|1,0,1]=4 455 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [0,2,0,0,0,0|1,0,1]=4 456 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [0,2,0,0,0,0|1,0,0]=3 457 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [0,2,0,0,0,0|0,0,0]=2 458 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [0,2,0,0,0,0|0,0,0]=2 459 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [0,2,0,0,0,0|0,0,0]=2 460 B15R0.222 CC(=O)CCCCCC=CCCCC(C)C CNP0227426.0 [0,2,0,0,0,0|1,0,1]=4 461 B15R0.222 CC(=O)OCCCCCCCCCC(=O)O CNP0256330.0 [0,2,0,0,0,0|0,0,1]=3 462 B15R0.222 CC(C)CCCCC=CCCCCC(=O)O CNP0546962.0 [0,2,0,0,0,0|0,0,1]=3 463 B15R0.222 CC(C)CCCCCCCCCCC(=O)O CNP0189217.0 [0,2,0,0,0,0|0,0,0]=2 464 B15R0.222 CC(C)CCCCCCCCCC[C@H](C)O CNP0353141.1 [0,2,0,0,0,0|1,0,1]=4 465 B15R0.222 NC(=O)CCCCCCCCCCC(=O)N CNP0209978.0 [0,2,0,0,0,0|1,0,1]=4 466 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O CNP0293008.0 [0,2,0,0,0,0|0,0,1]=3 467 B13R1.28 CCCCCCCC1CCCCC1 CNP0076836.0 [1,0,0,1,0,0|1,0,1]=4 468 B13R1.119 CCCCCCCCC1CCCC1 CNP0080496.0 [1,0,0,1,0,0|1,0,1]=4 469 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [1,0,0,1,0,0|0,0,0]=2 470 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [1,0,0,1,0,0|1,0,0]=3 471 B13R1.279 OC1CCCCCCCCCCC1 CNP0367434.0 [1,0,0,1,0,0|0,0,1]=3 472 B13R1.555 CCCCOCC1OCCCC1=O CNP0382719.0 [1,0,0,1,0,0|2,0,0]=4 473 B13R1.654 CCCCCCCC1CCCC1=O CNP0079998.0 [1,0,0,1,0,0|0,0,0]=2 474 B13R1.2883 C1CCCCCCCCCCCC1 CNP0566911.0 [1,0,0,1,0,0|1,0,1]=4 475 B13R1.6 CCC=CCCC1CCCC(=O)O1 CNP0119575.0 [1,0,0,1,0,0|0,0,2]=4 476 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [1,0,0,1,0,0|0,0,0]=2 477 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [1,0,0,1,0,0|1,0,0]=3 478 B13R1.27 CCCCCCCC1C=CC(=O)O1 CNP0546311.0 [1,0,0,1,0,0|0,0,2]=4 479 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [1,0,0,1,0,0|0,0,0]=2 480 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [1,0,0,1,0,0|0,0,0]=2 481 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [1,0,0,1,0,0|0,0,0]=2 482 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [1,0,0,1,0,0|1,0,0]=3 483 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [1,0,0,1,0,0|0,0,0]=2 484 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [1,0,0,1,0,0|0,0,0]=2 485 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [1,0,0,1,0,0|0,0,0]=2 486 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [1,0,0,1,0,0|0,0,0]=2 487 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [1,0,0,1,0,0|0,0,0]=2 488 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [1,0,0,1,0,0|0,0,0]=2 489 B15R1.1941 CCCCCCC[C@@H]1C[C@H]1CCC(=O)O CNP0253160.1 [0,1,0,1,0,0|0,0,0]=2 490 B15R1.7161 CCCC1C/C=C/[C@H](CCCC(=O)O1)O CNP0275999.1 [0,1,0,1,0,0|0,0,2]=4 491 B15R1.7161 CCCC1C/C=C\[C@H](CCCC(=O)O1)O CNP0275999.2 [0,1,0,1,0,0|0,0,2]=4 492 B15R1.7161 CCCC1CCC[C@@H](CCCC(=O)O1)O CNP0225950.2 [0,1,0,1,0,0|0,0,0]=2 493 B15R1.7161 CCC[C@@H]1CCC[C@@H](CCCC(=O)O1)O CNP0225950.3 [0,1,0,1,0,0|0,0,0]=2 494 B15R1.7161 CCC[C@H]1C/C=C/[C@H](CCCC(=O)O1)O CNP0275999.4 [0,1,0,1,0,0|0,0,2]=4 495 B15R1.7161 CCC[C@H]1C/C=C\[C@H](CCCC(=O)O1)O CNP0275999.3 [0,1,0,1,0,0|0,0,2]=4 496 B15R1.7161 CCC[C@H]1CCC[C@@H](CCCC(=O)O1)O CNP0225950.1 [0,1,0,1,0,0|0,0,0]=2 497 B15R1.11847 CCCCCC[C@H]1C[C@H]1CCCC(=O)O CNP0431634.1 [0,1,0,1,0,0|0,0,0]=2 498 B15R1.25751 C[C@@H]1C/C=C/CC[C@@H](CCCC(=O)O1)O CNP0461719.3 [0,1,0,1,0,0|0,0,2]=4 499 B15R1.25751 C[C@@H]1C/C=C/CC[C@H](CCCC(=O)O1)O CNP0461719.4 [0,1,0,1,0,0|0,0,2]=4 500 B15R1.25751 C[C@@H]1C/C=C/[C@@H](CCCCCC(=O)O1)O CNP0553012.2 [0,1,0,1,0,0|0,0,2]=4 501 B15R1.25751 C[C@@H]1C/C=C\CC[C@@H](CCCC(=O)O1)O CNP0461719.2 [0,1,0,1,0,0|0,0,2]=4 502 B15R1.25751 C[C@@H]1C/C=C\CC[C@H](CCCC(=O)O1)O CNP0461719.1 [0,1,0,1,0,0|0,0,2]=4 503 B15R1.25751 C[C@@H]1C/C=C\[C@@H](CCCCCC(=O)O1)O CNP0553012.1 [0,1,0,1,0,0|0,0,2]=4 504 B15R1.110 CC(O)CCCCCC[C@H]1CCC(=O)O1 CNP0339495.1 [0,1,0,1,0,0|0,0,0]=2 505 B15R1.119 C[C@@H](O)CCCCC[C@@H]1CC=CC(=O)O1 CNP0234475.1 [0,1,0,1,0,0|0,0,2]=4 506 B15R1.25818 C[C@@H]1CCCCCC[C@@H](/C=C/C(=O)O1)O CNP0130816.1 [0,1,0,1,0,0|0,0,2]=4 507 B15R1.25818 C[C@@H]1CCCCCC[C@@H](/C=C\C(=O)O1)O CNP0130816.2 [0,1,0,1,0,0|0,0,2]=4 508 B15R1.1180 CCCCCC1=N[C@H](CCC1)CC(=O)C CNP0199357.1 [0,1,0,1,0,0|1,0,1]=4 509 B15R1.27735 CCC[C@@H]1C[C@H](/C=C/CCCC(=O)O1)O CNP0300083.1 [0,1,0,1,0,0|0,0,2]=4 510 B15R1.27735 CCC[C@@H]1C[C@H](/C=C\CCCC(=O)O1)O CNP0300083.3 [0,1,0,1,0,0|0,0,2]=4 511 B15R1.27735 CCC[C@H]1C[C@H](/C=C/CCCC(=O)O1)O CNP0300083.4 [0,1,0,1,0,0|0,0,2]=4 512 B15R1.27735 CCC[C@H]1C[C@H](/C=C\CCCC(=O)O1)O CNP0300083.2 [0,1,0,1,0,0|0,0,2]=4 513 B15R1.942 CCC(C)CCCCC1CCCC(=O)O1 CNP0351135.0 [0,1,0,1,0,0|0,0,0]=2 514 B15R1.961 CCC(C)CCCCCC1=CCC(=O)O1 CNP0351128.0 [0,1,0,1,0,0|0,0,2]=4 515 B15R1.961 CCC(C)CCCCCC1CCC(=O)O1 CNP0271081.0 [0,1,0,1,0,0|0,0,0]=2 516 B15R1.961 CCC(O)CCCCC[C@H]1C=CC(=O)O1 CNP0297747.1 [0,1,0,1,0,0|0,0,2]=4 517 B15R1.961 CC[C@@H](O)CCCCC[C@H]1CCC(=O)O1 CNP0208587.1 [0,1,0,1,0,0|0,0,0]=2 518 B15R1.961 CC[C@H](C)CCCCC[C@H]1C=CC(=O)O1 CNP0351122.1 [0,1,0,1,0,0|0,0,2]=4 519 B15R1.961 CC[C@H](O)CCCCC[C@H]1C=CC(=O)O1 CNP0297747.2 [0,1,0,1,0,0|0,0,2]=4 520 B15R1.11631 COC(=O)CCCCCCCCC1CC1 CNP0418126.0 [0,1,0,1,0,0|0,0,0]=2 521 B15R1.11631 COC(=O)CCCCCCCC[C@@H]1CO1 CNP0286552.2 [0,1,0,1,0,0|1,0,0]=3 522 B15R1.11631 COC(=O)CCCCCCCC[C@H]1CO1 CNP0286552.1 [0,1,0,1,0,0|1,0,0]=3 523 B15R1.12434 CC[C@H](C)CCC[C@H]1CCCCC(=O)O1 CNP0157041.1 [0,1,0,1,0,0|0,0,0]=2 524 B15R1.253 N[C@H]1CCCCCCCCCCNC1=O CNP0547506.1 [0,1,0,1,0,0|1,0,0]=3 525 B15R1.6595 O=C1C=CCCCCCCCCCCC1 CNP0071987.0 [0,1,0,1,0,0|1,0,0]=3 526 B15R1.6595 O=C1CCCC=CCCCCCCCC1 CNP0321790.0 [0,1,0,1,0,0|1,0,1]=4 527 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [0,1,0,1,0,0|1,0,0]=3 528 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [0,1,0,1,0,0|0,0,0]=2 529 B15R1.11891 CCCCCC/C=C\C[C@@H]1C[C@H]1C(=O)O CNP0071923.1 [0,1,0,1,0,0|0,0,1]=3 530 B15R1.2035 CC/C=C\C[C@@H]1CC[C@@H]([C@H]1CC(=O)O)O CNP0546372.1 [0,1,0,1,0,0|0,0,2]=4 531 B15R1.5919 O=C(O)CCC(=O)OCC1CCCCC1 CNP0071019.0 [0,1,0,1,0,0|1,0,1]=4 532 B15R1.1010 CCCCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0545694.1 [0,1,0,1,0,0|0,0,0]=2 533 B15R1.5365 CCCCC/C=C\C[C@@H]1OC(=O)C[C@H]1C CNP0222757.1 [0,1,0,1,0,0|0,0,2]=4 534 B15R1.5365 CCCCCCCC[C@@H]1CC(=O)CC1=O CNP0321800.1 [0,1,0,1,0,0|1,0,1]=4 535 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)C1 CNP0104860.1 [0,1,0,1,0,0|1,0,0]=3 536 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)O1 CNP0233115.1 [0,1,0,1,0,0|0,0,0]=2 537 B15R1.106 CCCCCCCCC1CCCC(=O)O1 CNP0174932.0 [0,1,0,1,0,0|0,0,0]=2 538 B15R1.6476 O=C1CCCCCCCC(=O)OCCO1 CNP0319407.0 [0,1,0,1,0,0|1,0,1]=4 539 B15R1.3995 CC/C=C/C[C@H]1[C@H](CC[C@@H]1O)CC(=O)O CNP0180266.7 [0,1,0,1,0,0|0,0,2]=4 540 B15R1.3995 CC/C=C\C[C@@H]1C(CC[C@@H]1CC(=O)O)O CNP0180266.1 [0,1,0,1,0,0|0,0,2]=4 541 B15R1.3995 CC/C=C\C[C@@H]1[C@H](CC[C@@H]1O)CC(=O)O CNP0180266.4 [0,1,0,1,0,0|0,0,2]=4 542 B15R1.3995 CC/C=C\C[C@@H]1[C@H](CC[C@H]1O)CC(=O)O CNP0180266.3 [0,1,0,1,0,0|0,0,2]=4 543 B15R1.3995 CC/C=C\C[C@H]1[C@@H](CC[C@@H]1O)CC(=O)O CNP0180266.6 [0,1,0,1,0,0|0,0,2]=4 544 B15R1.3995 CC/C=C\C[C@H]1[C@H](CC[C@@H]1O)CC(=O)O CNP0180266.2 [0,1,0,1,0,0|0,0,2]=4 545 B15R1.3995 CC/C=C\C[C@H]1[C@H](CC[C@H]1O)CC(=O)O CNP0180266.5 [0,1,0,1,0,0|0,0,2]=4 546 B15R1.3995 CCC=CC[C@H]1[C@H](CC[C@@H]1O)CC(=O)O CNP0180266.8 [0,1,0,1,0,0|0,0,2]=4 547 B15R1.3995 CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)O CNP0285059.2 [0,1,0,1,0,0|0,0,1]=3 548 B15R1.3995 CCCCC[C@@H]1C(=O)CC[C@H]1CC(=O)O CNP0285059.4 [0,1,0,1,0,0|0,0,1]=3 549 B15R1.3995 CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)O CNP0285059.1 [0,1,0,1,0,0|0,0,1]=3 550 B15R1.3995 CCCCC[C@H]1C(=O)CC[C@H]1CC(=O)O CNP0285059.3 [0,1,0,1,0,0|0,0,1]=3 551 B15R2.16519 CC/C=C\C[C@@H]1CC[C@H]2[C@@H]1CC(=O)O2 CNP0361007.1 [0,0,0,2,0,0|0,0,2]=4 552 B15R2.4190 CCN1C(NC2C1CCCC2)C(=O)O CNP0345760.0 [0,0,0,2,0,0|2,0,0]=4 553 B15R2.1428 CCCCC1OC(=O)C2C1CCCC2 CNP0003483.0 [0,0,0,2,0,0|0,0,0]=2 554 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1CCCC2 CNP0420781.1 [0,0,0,2,0,0|0,0,2]=4 555 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CCCCC12 CNP0267388.2 [0,0,0,2,0,0|0,0,2]=4 556 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CCCC[C@@H]12 CNP0267388.3 [0,0,0,2,0,0|0,0,2]=4 557 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CCCC[C@H]12 CNP0267388.1 [0,0,0,2,0,0|0,0,2]=4 558 B15R2.1428 CCCC[C@@H]1OC(=O)[C@H]2C1=CCCC2 CNP0325596.1 [0,0,0,2,0,0|0,0,2]=4 559 B15R2.1428 CCCC[C@@H]1OC(=O)[C@H]2[C@@H]1CCC=C2 CNP0199838.1 [0,0,0,2,0,0|0,0,2]=4 560 B15R2.1428 CCCC[C@H]1OC(=O)[C@H]2[C@@H]1CCC=C2 CNP0199838.2 [0,0,0,2,0,0|0,0,2]=4 561 B15R2.4255 CC/C=C\C[C@@H]1[C@H]2CC[C@@H]1OC(=O)C2 CNP0291210.1 [0,0,0,2,0,0|0,0,2]=4