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|2,0,2]=4 3 B13R0.54 C=CCCCCCCCCOC(=O)C CNP0555861.0 [0,0,0,0,0,0|0,0,2]=2 4 B13R0.54 CC(=O)OCCCCCCCCC=O CNP0547492.0 [0,0,0,0,0,0|1,0,1]=2 5 B13R0.54 CC(C)CCCCCCCCCCO CNP0498996.0 [0,0,0,0,0,0|3,0,1]=4 6 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,0,0,0,0,0|2,0,2]=4 7 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,0,0,0,0,0|2,0,2]=4 9 B13R0.54 CCCCC=CCCCCOC(=O)C CNP0154646.0 [0,0,0,0,0,0|0,0,2]=2 10 B13R0.54 CCCCCC=CCCCCC(=O)C CNP0213133.0 [0,0,0,0,0,0|1,0,2]=3 11 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.54 CCCCCC=CCCCOC(=O)C CNP0003295.0 [0,0,0,0,0,0|0,0,2]=2 13 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,0,0,0,0,0|2,0,2]=4 15 B13R0.54 CCCCCCCC=CCOC(=O)C CNP0123694.0 [0,0,0,0,0,0|0,0,2]=2 16 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,0,0,0,0,0|2,0,2]=4 17 B13R0.54 CCCCCCCCC=COC(=O)C CNP0501330.0 [0,0,0,0,0,0|0,0,2]=2 18 B13R0.54 CCCCCCCCC=NNC(=O)N CNP0224908.0 [0,0,0,0,0,0|3,0,1]=4 19 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,0,0,0,0,0|1,0,1]=2 20 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,0,0,0,0,0|2,0,1]=3 21 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [0,0,0,0,0,0|1,0,0]=1 22 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [0,0,0,0,0,0|2,0,0]=2 23 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,0,0,0,0,0|2,0,0]=2 24 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [0,0,0,0,0,0|2,0,0]=2 25 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [0,0,0,0,0,0|2,0,0]=2 26 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [0,0,0,0,0,0|2,0,0]=2 27 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [0,0,0,0,0,0|2,0,0]=2 28 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [0,0,0,0,0,0|2,0,0]=2 29 B13R0.54 CCCCCCCCCCCC(C)C CNP0149200.0 [0,0,0,0,0,0|2,0,1]=3 30 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [0,0,0,0,0,0|1,0,2]=3 31 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [0,0,0,0,0,0|1,0,2]=3 32 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [0,0,0,0,0,0|0,0,0]=0 33 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [0,0,0,0,0,0|1,0,0]=1 34 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,0,0,0,0,0|3,0,0]=3 35 B13R0.54 CCCCOCCOCCOC(=O)C CNP0603936.0 [0,0,0,0,0,0|2,0,0]=2 36 B13R0.54 COCCOCCOCCOC(=O)C CNP0526268.0 [0,0,0,0,0,0|3,0,0]=3 37 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,0,0,0,0,0|3,0,0]=3 38 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,0,0,0,0,0|3,0,0]=3 39 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,0,0,0,0,0|3,0,1]=4 40 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [0,0,0,0,0,0|2,0,1]=3 41 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [1,0,0,0,0,0|1,0,2]=4 42 B12R0.5 C=CCCCCCCCCC=CC CNP0054973.0 [1,0,0,0,0,0|1,0,2]=4 43 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [1,0,0,0,0,0|1,0,1]=3 44 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [1,0,0,0,0,0|2,0,1]=4 45 B12R0.5 CC#CCCCCCCCCCO CNP0563211.0 [1,0,0,0,0,0|2,0,1]=4 46 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [1,0,0,0,0,0|1,0,0]=2 47 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [1,0,0,0,0,0|2,0,0]=3 48 B12R0.5 CCC=CCCCCCCCC=O CNP0222286.0 [1,0,0,0,0,0|1,0,2]=4 49 B12R0.5 CCC=CCCCCCCCCC CNP0534908.0 [1,0,0,0,0,0|1,0,2]=4 50 B12R0.5 CCCCC=CCCCCCC=O CNP0318145.0 [1,0,0,0,0,0|1,0,2]=4 51 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [1,0,0,0,0,0|1,0,2]=4 52 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [1,0,0,0,0,0|1,0,2]=4 53 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [1,0,0,0,0,0|1,0,1]=3 54 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [1,0,0,0,0,0|1,0,1]=3 55 B12R0.5 CCCCCCCCCCCC#N CNP0071944.0 [1,0,0,0,0,0|2,0,1]=4 56 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [1,0,0,0,0,0|1,0,0]=2 57 B12R0.5 CCCCCCCCCCCCC CNP0251262.0 [1,0,0,0,0,0|1,0,1]=3 58 B12R0.5 CCCCCCCCCCCCO CNP0281602.0 [1,0,0,0,0,0|1,0,2]=4 59 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [1,0,0,0,0,0|0,0,0]=1 60 B12R0.5 CCCCCCCCCCOCO CNP0587051.0 [1,0,0,0,0,0|0,0,2]=3 61 B12R0.5 CCCCCCCCCOCCC CNP0508454.0 [1,0,0,0,0,0|2,0,1]=4 62 B12R0.5 CCCCCCNCCCCCC CNP0462839.0 [1,0,0,0,0,0|2,0,1]=4 63 B12R0.5 CCCCCCOCCCCCC CNP0492138.0 [1,0,0,0,0,0|2,0,1]=4 64 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [1,0,0,0,0,0|1,0,2]=4 65 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [1,0,0,0,0,0|1,0,2]=4 66 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [1,0,0,0,0,0|1,0,2]=4 67 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [1,0,0,0,0,0|1,0,2]=4 68 B12R0.234 C=CCCCCCCCOC(=O)C CNP0204354.0 [1,0,0,0,0,0|0,0,2]=3 69 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [1,0,0,0,0,0|1,0,2]=4 70 B12R0.234 CC(=O)NCCCCNCCCN CNP0348437.0 [1,0,0,0,0,0|3,0,0]=4 71 B12R0.234 CC(=O)NCCCNCCCCN CNP0155123.0 [1,0,0,0,0,0|3,0,0]=4 72 B12R0.234 CCC=CCCCCCOC(=O)C CNP0503657.0 [1,0,0,0,0,0|0,0,2]=3 73 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [1,0,0,0,0,0|0,0,2]=3 74 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [1,0,0,0,0,0|1,0,2]=4 75 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [1,0,0,0,0,0|0,0,0]=1 76 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [1,0,0,0,0,0|1,0,0]=2 77 B12R0.234 CCCCCCCCCCC(C)C CNP0258052.0 [1,0,0,0,0,0|1,0,1]=3 78 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [1,0,0,0,0,0|1,0,2]=4 79 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [1,0,0,0,0,0|0,0,2]=3 80 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [1,0,0,0,0,0|0,0,0]=1 81 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [1,0,0,0,0,0|2,0,0]=3 82 B14R0.2 CCCCCC=CC(C)CCOC(=O)C CNP0345239.0 [0,1,0,0,0,0|0,0,2]=3 83 B14R0.2 CCCCCCCC(=O)CCCC(=O)O CNP0193723.0 [0,1,0,0,0,0|2,0,1]=4 84 B14R0.2 CCCCCCCC(=O)CCSC(=O)C CNP0294221.0 [0,1,0,0,0,0|0,1,1]=3 85 B14R0.2 CCCCCCCC(C)CCCC(=O)C CNP0524173.0 [0,1,0,0,0,0|1,0,0]=2 86 B14R0.2 CCCCCCCC(O)CCCC(=O)O CNP0411141.0 [0,1,0,0,0,0|2,0,0]=3 87 B14R0.68 CC(=O)CCCCCCCCCC(=O)O CNP0305653.0 [0,1,0,0,0,0|2,0,1]=4 88 B14R0.68 CC(=O)CCCCCCCCNC(=O)C CNP0346976.0 [0,1,0,0,0,0|1,0,1]=3 89 B14R0.68 CC(C)CCCCCCCC=CC(=O)O CNP0304027.0 [0,1,0,0,0,0|2,0,1]=4 90 B14R0.68 CC(C)CCCCCCCCCC(=O)O CNP0314744.0 [0,1,0,0,0,0|2,0,0]=3 91 B14R0.68 CC(C)CCCCCCCCCC(C)O CNP0610273.0 [0,1,0,0,0,0|1,0,2]=4 92 B14R0.68 C[C@H](O)CCCCCCCCCC(=O)O CNP0271260.1 [0,1,0,0,0,0|2,0,0]=3 93 B14R0.88 CCCCCCCCCCC[N+](C)(C)[O-] CNP0557509.0 [0,1,0,0,0,0|2,0,1]=4 94 B14R0.88 CCCCCCCCCCNS(=O)(=O)O CNP0476658.0 [0,1,0,0,0,0|3,0,0]=4 95 B14R0.88 CCCCCCCCCCOS(=O)(=O)O CNP0421232.0 [0,1,0,0,0,0|2,0,0]=3 96 B14R0.153 CCCC[C@H](O)CCCCCCC(=O)O CNP0106337.1 [0,1,0,0,0,0|2,0,0]=3 97 B14R0.231 CCCCC[C@H](O)CCCCCC(=O)O CNP0102854.1 [0,1,0,0,0,0|2,0,0]=3 98 B14R0.305 CCC(C)CCCCCCCCC(=O)C CNP0210226.0 [0,1,0,0,0,0|1,0,0]=2 99 B14R0.305 CC[C@@H](C)CCCCCCCCC(=O)O CNP0277749.2 [0,1,0,0,0,0|2,0,0]=3 100 B14R0.305 CC[C@H](C)CCCCCCCCC(=O)O CNP0277749.1 [0,1,0,0,0,0|2,0,0]=3 101 B14R0.305 CC[C@H](O)CCCCCCCCC(=O)O CNP0298538.1 [0,1,0,0,0,0|2,0,0]=3 102 B14R0.305 COC(=O)CCCCCCCCC(=O)C CNP0275083.0 [0,1,0,0,0,0|2,0,1]=4 103 B14R0.337 C=CC(=O)CCCCCCCCCCC CNP0334014.0 [0,1,0,0,0,0|1,0,1]=3 104 B14R0.337 CCC=CCCCCCCCC(=O)OC CNP0086356.0 [0,1,0,0,0,0|1,0,2]=4 105 B14R0.337 CCCCCCCCCC=CC(=O)OC CNP0281832.0 [0,1,0,0,0,0|1,0,1]=3 106 B14R0.337 CCCCCCCCCCCC(=O)CC CNP0260208.0 [0,1,0,0,0,0|1,0,0]=2 107 B14R0.337 CCCCCCCCCCCC(=O)CO CNP0162178.0 [0,1,0,0,0,0|1,0,0]=2 108 B14R0.337 CCCCCCCCCCCC(=O)OC CNP0307835.0 [0,1,0,0,0,0|1,0,0]=2 109 B14R0.337 CCCCCCCCCCC[C@H](C)CC CNP0294304.1 [0,1,0,0,0,0|2,0,1]=4 110 B14R0.337 CCCCCCCCCCOC(=O)CBr CNP0132290.0 [0,1,0,0,0,0|0,0,0]=1 111 B14R0.337 CCCCCCCCCCOC(=O)CC CNP0097861.0 [0,1,0,0,0,0|0,0,0]=1 112 B14R0.337 COC(=O)CCCCCCCCCC=O CNP0314293.0 [0,1,0,0,0,0|2,0,1]=4 113 B14R0.340 CCCCCCCCCCC(C)C(=O)C CNP0499802.0 [0,1,0,0,0,0|1,0,0]=2 114 B14R0.340 CCCCCCCCCC[C@@H](C)C(=O)O CNP0172373.1 [0,1,0,0,0,0|2,0,0]=3 115 B14R0.340 CCCCCCCCCC[C@@H](O)C(=O)O CNP0195070.1 [0,1,0,0,0,0|2,0,0]=3 116 B14R0.340 CCCCCCCCCC[C@H](O)C(=O)O CNP0195070.2 [0,1,0,0,0,0|2,0,0]=3 117 B14R0.340 CSCCCCCCCCC(=O)C(=O)O CNP0295831.0 [0,1,0,0,0,0|3,0,0]=4 118 B14R0.340 CSCCCCCCCC[C@H](N)C(=O)O CNP0359900.1 [0,1,0,0,0,0|3,0,0]=4 119 B14R0.344 CCCCCCCCC(C)CCC(=O)O CNP0598565.0 [0,1,0,0,0,0|2,0,0]=3 120 B14R0.344 CCCCCCCCC(C)CCC(C)C CNP0072523.0 [0,1,0,0,0,0|2,0,1]=4 121 B14R0.344 CCCCCCCC[C@@H](O)C#CC(=O)O CNP0458691.1 [0,1,0,0,0,0|2,0,1]=4 122 B14R0.344 CCCCCCCC[C@@H](O)CCC(=O)O CNP0550827.1 [0,1,0,0,0,0|2,0,0]=3 123 B14R0.344 CCCCCCCC[C@H](O)C#CC(=O)O CNP0458691.2 [0,1,0,0,0,0|2,0,1]=4 124 B14R0.344 CCCCCCCC[C@H](O)CCC(=O)O CNP0550827.2 [0,1,0,0,0,0|2,0,0]=3 125 B14R0.391 CCCCCCCCCC(=O)C=C(C)C CNP0232845.0 [0,1,0,0,0,0|2,0,1]=4 126 B14R0.391 CCCCCCCCCC(=O)CC(=O)O CNP0069141.0 [0,1,0,0,0,0|2,0,1]=4 127 B14R0.391 CCCCCCCCCC(=O)OC(C)C CNP0080469.0 [0,1,0,0,0,0|1,0,2]=4 128 B14R0.391 CCCCCCCCC[C@@H](C)OC(=O)C CNP0165028.2 [0,1,0,0,0,0|0,0,0]=1 129 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O CNP0220266.1 [0,1,0,0,0,0|2,0,0]=3 130 B14R0.391 CCCCCCCCC[C@H](C)OC(=O)C CNP0165028.1 [0,1,0,0,0,0|0,0,0]=1 131 B14R0.391 CCCCCCCCC[C@H](O)CC(=O)O CNP0220266.2 [0,1,0,0,0,0|2,0,0]=3 132 B14R0.394 C#CCCCCCCCCCCC(=O)C CNP0503056.0 [0,1,0,0,0,0|1,0,1]=3 133 B14R0.394 C=CCCCCCCCCCOC(=O)C CNP0003547.0 [0,1,0,0,0,0|0,0,1]=2 134 B14R0.394 CC(C)CCCCCCCCCCCN CNP0301011.0 [0,1,0,0,0,0|2,0,1]=4 135 B14R0.394 CC=CCCCCCCCCOC(=O)C CNP0308487.0 [0,1,0,0,0,0|0,0,1]=2 136 B14R0.394 CCCC=CCCCCCCOC(=O)C CNP0162411.0 [0,1,0,0,0,0|0,0,1]=2 137 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [0,1,0,0,0,0|2,0,1]=4 138 B14R0.394 CCCCCCC=CCCCCC(=O)C CNP0245771.0 [0,1,0,0,0,0|1,0,1]=3 139 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [0,1,0,0,0,0|2,0,0]=3 140 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [0,1,0,0,0,0|1,0,0]=2 141 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [0,1,0,0,0,0|2,0,0]=3 142 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [0,1,0,0,0,0|2,0,0]=3 143 B14R0.394 CCCCCCCCCCCCC(C)C CNP0391491.0 [0,1,0,0,0,0|2,0,1]=4 144 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [0,1,0,0,0,0|1,0,2]=4 145 B14R0.394 CCCCCCCCCCCCN(C)C CNP0476829.0 [0,1,0,0,0,0|3,0,0]=4 146 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [0,1,0,0,0,0|0,0,0]=1 147 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [0,1,0,0,0,0|2,0,0]=3 148 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [0,1,0,0,0,0|2,0,0]=3 149 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [0,1,0,0,0,0|2,0,0]=3 150 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [0,1,0,0,0,0|2,0,0]=3 151 B14R0.432 CCCC(C)CCCCCCCC(=O)O CNP0278697.0 [0,1,0,0,0,0|2,0,0]=3 152 B14R0.432 CCC[C@@H](C)CCCCCCCC(=O)C CNP0218330.1 [0,1,0,0,0,0|1,0,0]=2 153 B14R0.432 CCC[C@H](O)CCCCCCCC(=O)O CNP0325800.1 [0,1,0,0,0,0|2,0,0]=3 154 B14R0.2224 CCCCCC[C@H](O)CCCCC(=O)O CNP0295458.1 [0,1,0,0,0,0|2,0,0]=3 155 B14R1.26 CCCCCCC[C@@H]1CC=CC(=O)O1 CNP0175844.1 [0,0,0,1,0,0|2,0,1]=4 156 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 CNP0316484.1 [0,0,0,1,0,0|2,0,0]=3 157 B14R1.122 CCCCCCCC[C@@H]1CCC(=O)O1 CNP0390908.2 [0,0,0,1,0,0|2,0,0]=3 158 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 CNP0390908.1 [0,0,0,1,0,0|2,0,0]=3 159 B14R1.241 C[C@H]1O[C@H]1CCCCCCCC(=O)O CNP0262619.1 [0,0,0,1,0,0|3,0,0]=4 160 B14R1.326 CC1CCCCCCCCCC(=O)O1 CNP0584711.0 [0,0,0,1,0,0|2,0,0]=3 161 B14R1.1252 CCCCCCC1CCCCC(=O)O1 CNP0301204.0 [0,0,0,1,0,0|2,0,0]=3 162 B14R1.1252 CCCCCC[C@H]1CC(=O)CCSS1 CNP0264209.1 [0,0,0,1,0,0|3,0,0]=4 163 B14R1.4408 O=C1CC=CCCCCCCCCO1 CNP0106632.0 [0,0,0,1,0,0|0,0,2]=3 164 B14R1.4408 O=C1CCCCCCCC=CCCO1 CNP0208635.0 [0,0,0,1,0,0|0,0,2]=3 165 B14R1.4408 O=C1CCCCCCCCC=CCO1 CNP0609723.0 [0,0,0,1,0,0|0,0,2]=3 166 B14R1.4408 O=C1CCCCCCCCCCCO1 CNP0320182.0 [0,0,0,1,0,0|0,0,0]=1 167 B14R1.4728 CCCCCCCC[C@@H]1C[C@@H]1C(=O)N CNP0285116.2 [0,0,0,1,0,0|2,0,0]=3 168 B14R1.4728 CCCCCCCC[C@@H]1C[C@H]1C(=O)N CNP0285116.3 [0,0,0,1,0,0|2,0,0]=3 169 B14R1.4728 CCCCCCCC[C@H]1C[C@@H]1C(=O)N CNP0285116.1 [0,0,0,1,0,0|2,0,0]=3 170 B14R1.4728 CCCCCCCC[C@H]1C[C@H]1C(=O)N CNP0285116.4 [0,0,0,1,0,0|2,0,0]=3 171 B14R1.4728 CCCCCCCC[C@H]1O[C@@H]1C(=O)C CNP0337041.1 [0,0,0,1,0,0|2,0,0]=3 172 B14R1.5883 CC1CCCCCCCCCC1(C)C CNP0611979.0 [0,0,0,1,0,0|2,0,1]=4 173 B14R1.6388 O=C(O)CCCCCCCCC1CC1 CNP0507777.0 [0,0,0,1,0,0|2,0,0]=3 174 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [2,0,0,0,0,0|0,0,2]=4 175 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [2,0,0,0,0,0|0,0,2]=4 176 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [2,0,0,0,0,0|1,0,1]=4 177 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [2,0,0,0,0,0|0,0,1]=3 178 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [2,0,0,0,0,0|1,0,1]=4 179 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [2,0,0,0,0,0|0,0,2]=4 180 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [2,0,0,0,0,0|0,0,1]=3 181 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [2,0,0,0,0,0|1,0,1]=4 182 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [2,0,0,0,0,0|0,0,2]=4 183 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [2,0,0,0,0,0|0,0,2]=4 184 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [2,0,0,0,0,0|1,0,1]=4 185 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [2,0,0,0,0,0|0,0,0]=2 186 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [2,0,0,0,0,0|0,0,1]=3 187 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [2,0,0,0,0,0|0,0,2]=4 188 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [2,0,0,0,0,0|1,0,0]=3 189 B11R0.3 CCCCCCCCCCON CNP0565549.0 [2,0,0,0,0,0|1,0,0]=3 190 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [2,0,0,0,0,0|1,0,1]=4 191 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [2,0,0,0,0,0|0,0,2]=4 192 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [2,0,0,0,0,0|0,0,2]=4 193 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [2,0,0,0,0,0|0,0,2]=4 194 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [2,0,0,0,0,0|0,0,2]=4 195 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [2,0,0,0,0,0|0,0,2]=4 196 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [2,0,0,0,0,0|0,0,2]=4 197 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [2,0,0,0,0,0|0,0,2]=4 198 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [2,0,0,0,0,0|0,0,2]=4 199 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [2,0,0,0,0,0|0,0,2]=4 200 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [2,0,0,0,0,0|1,0,1]=4 201 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [2,0,0,0,0,0|0,0,0]=2 202 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [2,0,0,0,0,0|1,0,0]=3 203 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [2,0,0,0,0,0|1,0,0]=3 204 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [2,0,0,0,0,0|1,0,0]=3 205 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [2,0,0,0,0,0|1,0,0]=3 206 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [2,0,0,0,0,0|1,0,0]=3 207 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [2,0,0,0,0,0|1,0,0]=3 208 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [2,0,0,0,0,0|1,0,0]=3 209 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [2,0,0,0,0,0|1,0,0]=3 210 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [2,0,0,0,0,0|1,0,0]=3 211 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [2,0,0,0,0,0|1,0,1]=4 212 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [2,0,0,0,0,0|0,0,2]=4 213 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [2,0,0,0,0,0|0,0,2]=4 214 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [2,0,0,0,0,0|0,0,0]=2 215 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [2,0,0,0,0,0|0,0,0]=2 216 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [2,0,0,0,0,0|0,1,0]=3 217 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [2,0,0,0,0,0|1,0,0]=3 218 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [2,0,0,0,0,0|2,0,0]=4 219 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [2,0,0,0,0,0|2,0,0]=4 220 B13R0.2 C=COC(=O)CCCCCCCCC CNP0137792.0 [1,1,0,0,0,0|0,0,2]=4 221 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [1,1,0,0,0,0|1,0,1]=4 222 B13R0.2 CCCCCCCCCC(=O)OCC CNP0245893.0 [1,1,0,0,0,0|0,0,2]=4 223 B13R0.2 CCCCCCCCCC(C)CCC CNP0097879.0 [1,1,0,0,0,0|1,0,1]=4 224 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [1,1,0,0,0,0|1,0,1]=4 225 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [1,1,0,0,0,0|1,0,1]=4 226 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [1,1,0,0,0,0|2,0,0]=4 227 B13R0.147 CCCCCCCCCC[C@@H](C)CC CNP0232099.1 [1,1,0,0,0,0|1,0,1]=4 228 B13R0.165 C=CCCCC[C@H](C)CCCCCC CNP0424627.1 [1,1,0,0,0,0|1,0,1]=4 229 B13R0.165 CCCCCCC(O)CCCCCC CNP0082295.0 [1,1,0,0,0,0|1,0,1]=4 230 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [1,1,0,0,0,0|1,0,1]=4 231 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [1,1,0,0,0,0|1,0,1]=4 232 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [1,1,0,0,0,0|1,0,0]=3 233 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [1,1,0,0,0,0|1,0,0]=3 234 B13R0.336 CCC=CCCCCCCCCCC CNP0003426.0 [1,1,0,0,0,0|1,0,0]=3 235 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [1,1,0,0,0,0|2,0,0]=4 236 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [1,1,0,0,0,0|1,0,1]=4 237 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [1,1,0,0,0,0|1,0,0]=3 238 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [1,1,0,0,0,0|1,0,0]=3 239 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [1,1,0,0,0,0|1,0,1]=4 240 B13R0.336 CCCCCCCCCCCC=NO CNP0018714.0 [1,1,0,0,0,0|1,0,1]=4 241 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [1,1,0,0,0,0|1,0,0]=3 242 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [1,1,0,0,0,0|1,0,1]=4 243 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [1,1,0,0,0,0|1,0,1]=4 244 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [1,1,0,0,0,0|1,0,1]=4 245 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [1,1,0,0,0,0|1,0,1]=4 246 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [1,1,0,0,0,0|0,0,0]=2 247 B13R0.338 CCCCCCCC(N)CCCCC CNP0427184.0 [1,1,0,0,0,0|1,0,1]=4 248 B13R0.338 CCCCCCC[C@H](C)CCCCC CNP0183278.1 [1,1,0,0,0,0|1,0,1]=4 249 B13R0.1 CCCCCCC(=O)CCOC(=O)C CNP0381417.0 [1,1,0,0,0,0|0,0,1]=3 250 B13R0.1 CCCCCCC(O)CCOC(=O)C CNP0003220.0 [1,1,0,0,0,0|0,0,0]=2 251 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [1,1,0,0,0,0|1,0,0]=3 252 B13R0.150 CCCCCCCCCC(C)C(=O)C CNP0524122.0 [1,1,0,0,0,0|0,0,0]=2 253 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [1,1,0,0,0,0|1,0,0]=3 254 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [1,1,0,0,0,0|1,0,0]=3 255 B13R0.150 CCCCCCCCC[C@@H](O)[C@H](C)N CNP0142474.1 [1,1,0,0,0,0|1,0,1]=4 256 B13R0.150 CCCCCCCCC[C@H](O)[C@@H](C)N CNP0142474.2 [1,1,0,0,0,0|1,0,1]=4 257 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [1,1,0,0,0,0|2,0,0]=4 258 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [1,1,0,0,0,0|1,0,1]=4 259 B13R0.179 CC(=O)CC/C=C/CCCC[C@H](C)O CNP0229571.1 [1,1,0,0,0,0|0,0,2]=4 260 B13R0.179 CC(=O)CCCCCCCCC(C)C CNP0219481.0 [1,1,0,0,0,0|0,0,0]=2 261 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [1,1,0,0,0,0|1,0,0]=3 262 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [1,1,0,0,0,0|1,0,0]=3 263 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [1,1,0,0,0,0|1,0,0]=3 264 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)N CNP0508234.0 [1,1,0,0,0,0|2,0,0]=4 265 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [1,1,0,0,0,0|2,0,0]=4 266 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [1,1,0,0,0,0|1,0,1]=4 267 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [1,1,0,0,0,0|1,0,0]=3 268 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [1,1,0,0,0,0|1,0,0]=3 269 B13R0.202 COC(=O)CCCCCCCC(=O)C CNP0550064.0 [1,1,0,0,0,0|1,0,1]=4 270 B13R0.280 CCCCCCCCCCP(=O)(C)C CNP0504286.0 [1,1,0,0,0,0|1,0,0]=3 271 B13R0.280 CCCCCCCCCCS(=O)(=O)O CNP0529919.0 [1,1,0,0,0,0|2,0,0]=4 272 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] CNP0478268.0 [1,1,0,0,0,0|1,0,1]=4 273 B13R0.280 CCCCCCCCCOS(=O)(=O)O CNP0359482.0 [1,1,0,0,0,0|2,0,0]=4 274 B13R0.280 CS(=O)(=O)CCCCCCCCCN CNP0257637.0 [1,1,0,0,0,0|2,0,0]=4 275 B13R0.335 CC(=O)OC(=O)CCCCCCCO CNP0220022.0 [1,1,0,0,0,0|1,0,1]=4 276 B13R0.335 CCCCCCCC[C@H](C)CC(C)C CNP0331374.1 [1,1,0,0,0,0|1,0,1]=4 277 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [1,1,0,0,0,0|1,0,0]=3 278 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [1,1,0,0,0,0|2,0,0]=4 279 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [1,1,0,0,0,0|2,0,0]=4 280 B15R0.137 C/C=C(\C)/CCC[C@@H](O)CCCCCCC CNP0328255.1 [0,2,0,0,0,0|2,0,0]=4 281 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC CNP0207879.0 [0,2,0,0,0,0|1,0,1]=4 282 B15R0.323 CCCCCCCC(C)CC[C@@H](C)C(=O)O CNP0218041.1 [0,2,0,0,0,0|2,0,0]=4 283 B15R0.323 CCCCCCC[C@H](C)CC[C@@H](C)C(=O)O CNP0218041.2 [0,2,0,0,0,0|2,0,0]=4 284 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C CNP0246375.0 [0,2,0,0,0,0|0,1,0]=3 285 B15R0.226 CC(=O)O[C@H](C)CCCCCCCC(=O)O CNP0118107.1 [0,2,0,0,0,0|1,0,1]=4 286 B15R0.226 CC(O)CCCCCCCC(O)CC(=O)O CNP0207161.0 [0,2,0,0,0,0|2,0,0]=4 287 B15R0.247 CCC(C)CCCCCCCCCC(=O)C CNP0353149.0 [0,2,0,0,0,0|1,0,0]=3 288 B15R0.247 CC[C@@H](C)CCCCCCCCCC(=O)O CNP0191743.2 [0,2,0,0,0,0|2,0,0]=4 289 B15R0.247 CC[C@H](C)CCCCCCCCCC(=O)O CNP0191743.1 [0,2,0,0,0,0|2,0,0]=4 290 B15R0.247 COC(=O)CCCCCCCCCC(C)C CNP0027527.0 [0,2,0,0,0,0|1,0,0]=3 291 B15R0.247 COC(=O)CCCCCCCCC[C@@H](C)O CNP0259120.1 [0,2,0,0,0,0|1,0,0]=3 292 B15R0.247 O=C(O)CCCCCCCCC[C@@H](O)CO CNP0168722.1 [0,2,0,0,0,0|2,0,0]=4 293 B15R0.2662 CC(C)(O)CCCCCCCCCC(=O)N CNP0383505.0 [0,2,0,0,0,0|2,0,0]=4 294 B15R0.2702 C[C@@H](O)[C@H](O)CCCCCCCCC(=O)O CNP0182874.1 [0,2,0,0,0,0|2,0,0]=4 295 B15R0.2704 CC(C)CCCCCC[C@@H](C)CCC(=O)O CNP0359154.1 [0,2,0,0,0,0|2,0,0]=4 296 B15R0.254 CCCCCCCCCCC[P@](=O)(O)OC CNP0506108.1 [0,2,0,0,0,0|2,0,0]=4 297 B15R0.209 CCCC[C@@H](O)CCCCCCC(=O)OC CNP0281979.1 [0,2,0,0,0,0|1,0,0]=3 298 B15R0.193 CCCCCC[C@H](O)CCCCCC(=O)O CNP0170541.1 [0,2,0,0,0,0|2,0,0]=4 299 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC CNP0320441.0 [0,2,0,0,0,0|1,0,1]=4 300 B15R0.111 CCCC(C)CCCCCCCCC(=O)O CNP0227243.0 [0,2,0,0,0,0|2,0,0]=4 301 B15R0.172 CCC(=O)CCCCCCCCC(C)CC CNP0284050.0 [0,2,0,0,0,0|1,0,0]=3 302 B15R0.172 CC[C@@H](C)CCCCCCCCC(=O)OC CNP0309732.1 [0,2,0,0,0,0|1,0,0]=3 303 B15R0.172 CC[C@H](C)CCCCCCCCC(=O)OC CNP0309732.2 [0,2,0,0,0,0|1,0,0]=3 304 B15R0.2076 CC[C@@H](C)CCCCC[C@@H](C)CCC(=O)O CNP0313932.1 [0,2,0,0,0,0|2,0,0]=4 305 B15R0.81 CCCCCCCCCCC=CC(=O)OC CNP0291148.0 [0,2,0,0,0,0|1,0,0]=3 306 B15R0.81 CCCCCCCCCCCCC(=O)OC CNP0210866.0 [0,2,0,0,0,0|1,0,0]=3 307 B15R0.81 CCCCCCCCCCCOC(=O)CC CNP0236979.0 [0,2,0,0,0,0|0,0,0]=2 308 B15R0.81 COC(=O)CCCCCCCCCCCO CNP0267260.0 [0,2,0,0,0,0|1,0,0]=3 309 B15R0.84 C=C(C)C(=O)OCCCCCCCCCC CNP0077255.0 [0,2,0,0,0,0|0,0,0]=2 310 B15R0.84 CCCCCCCCCCCC(C)C(=O)O CNP0596867.0 [0,2,0,0,0,0|1,0,1]=4 311 B15R0.84 CCCCCCCCCCCC(N)C(=O)O CNP0041447.0 [0,2,0,0,0,0|2,0,0]=4 312 B15R0.84 CCCCCCCCCCC[C@@H](C)C(=O)C CNP0377330.1 [0,2,0,0,0,0|1,0,0]=3 313 B15R0.84 CCCCCCCCCCC[C@@H](O)C(=O)O CNP0340683.1 [0,2,0,0,0,0|2,0,0]=4 314 B15R0.84 CCCCCCCCCCOC(=O)C(C)C CNP0611686.0 [0,2,0,0,0,0|0,0,0]=2 315 B15R0.84 CCCCCCCCCCOC(=O)C(Cl)Cl CNP0086443.0 [0,2,0,0,0,0|0,0,0]=2 316 B15R0.84 CCCCCCCCCSC[C@H](N)C(=O)O CNP0590207.1 [0,2,0,0,0,0|2,0,0]=4 317 B15R0.253 CCCCCCCCCCOB(CC)CC CNP0509037.0 [0,2,0,0,0,0|2,0,0]=4 318 B15R0.324 CCCCCCCCCC[C@@H](C)C(=O)OC CNP0245672.1 [0,2,0,0,0,0|1,0,0]=3 319 B15R0.366 C=COC(=O)CCCCCCCCCCC CNP0315574.0 [0,2,0,0,0,0|1,0,1]=4 320 B15R0.366 CCCCCCCCCC=CC(=O)OCC CNP0203006.0 [0,2,0,0,0,0|1,0,1]=4 321 B15R0.366 CCCCCCCCCCCC(=O)CC=O CNP0349328.0 [0,2,0,0,0,0|1,0,0]=3 322 B15R0.366 CCCCCCCCCCCC(=O)CCO CNP0280181.0 [0,2,0,0,0,0|1,0,0]=3 323 B15R0.366 CCCCCCCCCCCC(=O)NCC CNP0001305.0 [0,2,0,0,0,0|1,0,0]=3 324 B15R0.366 CCCCCCCCCCCC(=O)OCC CNP0263071.0 [0,2,0,0,0,0|1,0,0]=3 325 B15R0.366 CCCCCCCCCCOC(=O)CCC CNP0186393.0 [0,2,0,0,0,0|0,0,0]=2 326 B15R0.2405 CCCCCCCCC(=O)CCC(=O)OC CNP0158431.0 [0,2,0,0,0,0|1,0,1]=4 327 B15R0.3221 CCCCCCCCCC(=CC(=O)OC)C CNP0230553.0 [0,2,0,0,0,0|1,0,1]=4 328 B15R0.3221 CCCCCCCCC[C@H](C)CC(=O)OC CNP0308441.1 [0,2,0,0,0,0|1,0,0]=3 329 B15R0.1997 CCCCCCCCCCC(CC)C(=O)O CNP0612175.0 [0,2,0,0,0,0|2,0,0]=4 330 B15R0.88 CCCCCCCCC[C@H](O)CNC(=O)C CNP0276757.1 [0,2,0,0,0,0|1,0,0]=3 331 B15R0.3245 CCCCCCCC[C@H](O)[C@@H](C)NC(=O)C CNP0315647.1 [0,2,0,0,0,0|1,0,0]=3 332 B15R0.69 CCCCCCCCCCC(C)CC(=O)O CNP0273459.0 [0,2,0,0,0,0|2,0,0]=4 333 B15R0.69 CCCCCCCCCC[C@H](C)OC(=O)C CNP0204455.1 [0,2,0,0,0,0|0,0,0]=2 334 B15R0.69 CCCCCCCCCC[C@H](O)CC(=O)O CNP0272673.1 [0,2,0,0,0,0|2,0,0]=4 335 B15R0.187 CCCCCCC(=O)CC[C@H](C)OC(=O)C CNP0139622.1 [0,2,0,0,0,0|0,0,1]=3 336 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [0,2,0,0,0,0|2,0,0]=4 337 B15R0.164 C=CC=CCCCCCCCCOC(=O)C CNP0276404.0 [0,2,0,0,0,0|0,0,2]=4 338 B15R0.164 C=CCCCCCCCCCCOC(=O)C CNP0406625.0 [0,2,0,0,0,0|0,0,0]=2 339 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [0,2,0,0,0,0|0,0,0]=2 340 B15R0.164 CC=CC=CCCCCCCCOC(=O)C CNP0209613.0 [0,2,0,0,0,0|0,0,2]=4 341 B15R0.164 CC=CCCCCCCCCCOC(=O)C CNP0230290.0 [0,2,0,0,0,0|0,0,0]=2 342 B15R0.164 CCC=CC=CCCCCCCOC(=O)C CNP0209542.0 [0,2,0,0,0,0|0,0,2]=4 343 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [0,2,0,0,0,0|2,0,0]=4 344 B15R0.164 CCC=CCCCCCCCCOC(=O)C CNP0132176.0 [0,2,0,0,0,0|0,0,0]=2 345 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [0,2,0,0,0,0|2,0,0]=4 346 B15R0.164 CCCC=CCCCCCCCOC(=O)C CNP0304445.0 [0,2,0,0,0,0|0,0,0]=2 347 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [0,2,0,0,0,0|2,0,0]=4 348 B15R0.164 CCCCC=CCCCCCCOC(=O)C CNP0179053.0 [0,2,0,0,0,0|0,0,0]=2 349 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [0,2,0,0,0,0|2,0,0]=4 350 B15R0.164 CCCCCCC=CC=CCCOC(=O)C CNP0297259.0 [0,2,0,0,0,0|0,0,2]=4 351 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [0,2,0,0,0,0|1,0,0]=3 352 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [0,2,0,0,0,0|2,0,0]=4 353 B15R0.164 CCCCCCC=CCCCCOC(=O)C CNP0212830.0 [0,2,0,0,0,0|0,0,0]=2 354 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [0,2,0,0,0,0|2,0,0]=4 355 B15R0.164 CCCCCCCC=CCCCOC(=O)C CNP0503025.0 [0,2,0,0,0,0|0,0,0]=2 356 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [0,2,0,0,0,0|2,0,0]=4 357 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [0,2,0,0,0,0|2,0,0]=4 358 B15R0.164 CCCCCCCCC=CCCOC(=O)C CNP0610375.0 [0,2,0,0,0,0|0,0,0]=2 359 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [0,2,0,0,0,0|2,0,0]=4 360 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [0,2,0,0,0,0|2,0,0]=4 361 B15R0.164 CCCCCCCCCCC=COC(=O)C CNP0375176.0 [0,2,0,0,0,0|0,0,0]=2 362 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [0,2,0,0,0,0|2,0,0]=4 363 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [0,2,0,0,0,0|1,0,0]=3 364 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [0,2,0,0,0,0|2,0,0]=4 365 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [0,2,0,0,0,0|2,0,0]=4 366 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [0,2,0,0,0,0|2,0,0]=4 367 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [0,2,0,0,0,0|2,0,0]=4 368 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [0,2,0,0,0,0|2,0,0]=4 369 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [0,2,0,0,0,0|2,0,0]=4 370 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [0,2,0,0,0,0|2,0,0]=4 371 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [0,2,0,0,0,0|2,0,0]=4 372 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [0,2,0,0,0,0|2,0,0]=4 373 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [0,2,0,0,0,0|2,0,0]=4 374 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [0,2,0,0,0,0|0,0,0]=2 375 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [0,2,0,0,0,0|1,0,1]=4 376 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [0,2,0,0,0,0|2,0,0]=4 377 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [0,2,0,0,0,0|2,0,0]=4 378 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [0,2,0,0,0,0|2,0,0]=4 379 B15R0.222 CC(=O)CCCCCC=CCCCC(C)C CNP0227426.0 [0,2,0,0,0,0|1,0,1]=4 380 B15R0.222 CC(=O)OCCCCCCCCCC(=O)O CNP0256330.0 [0,2,0,0,0,0|0,0,1]=3 381 B15R0.222 CC(C)CCCCCCCCCCC(=O)O CNP0189217.0 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.28 CCCCCCCC1CCCCC1 CNP0076836.0 [1,0,0,1,0,0|1,0,1]=4 383 B13R1.119 CCCCCCCCC1CCCC1 CNP0080496.0 [1,0,0,1,0,0|1,0,1]=4 384 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [1,0,0,1,0,0|1,0,0]=3 385 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [1,0,0,1,0,0|0,0,0]=2 386 B13R1.654 CCCCCCCC1CCCC1=O CNP0079998.0 [1,0,0,1,0,0|1,0,0]=3 387 B13R1.2883 C1CCCCCCCCCCCC1 CNP0566911.0 [1,0,0,1,0,0|1,0,1]=4 388 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [1,0,0,1,0,0|1,0,0]=3 389 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [1,0,0,1,0,0|2,0,0]=4 390 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [1,0,0,1,0,0|1,0,0]=3 391 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [1,0,0,1,0,0|1,0,0]=3 392 B13R1.167 CC(=O)CCCCC1CCCC1=O CNP0595724.0 [1,0,0,1,0,0|1,0,1]=4 393 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [1,0,0,1,0,0|1,0,0]=3 394 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [1,0,0,1,0,0|2,0,0]=4 395 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [1,0,0,1,0,0|1,0,0]=3 396 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [1,0,0,1,0,0|1,0,0]=3 397 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [1,0,0,1,0,0|1,0,0]=3 398 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [1,0,0,1,0,0|1,0,0]=3 399 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [1,0,0,1,0,0|1,0,0]=3 400 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [1,0,0,1,0,0|1,0,0]=3 401 B15R1.1941 CCCCCCC[C@@H]1C[C@H]1CCC(=O)O CNP0253160.1 [0,1,0,1,0,0|2,0,0]=4 402 B15R1.7161 CCCC1C/C=C/[C@H](CCOC(=O)C1)O CNP0081450.2 [0,1,0,1,0,0|0,0,2]=4 403 B15R1.7161 CCCC1CCC[C@@H](CCCC(=O)O1)O CNP0225950.2 [0,1,0,1,0,0|2,0,0]=4 404 B15R1.7161 CCC[C@@H]1CCC[C@@H](CCCC(=O)O1)O CNP0225950.3 [0,1,0,1,0,0|2,0,0]=4 405 B15R1.7161 CCC[C@H]1C/C=C/[C@H](CCOC(=O)C1)O CNP0081450.1 [0,1,0,1,0,0|0,0,2]=4 406 B15R1.7161 CCC[C@H]1CCC[C@@H](CCCC(=O)O1)O CNP0225950.1 [0,1,0,1,0,0|2,0,0]=4 407 B15R1.11847 CCCCCC[C@H]1C[C@H]1CCCC(=O)O CNP0431634.1 [0,1,0,1,0,0|2,0,0]=4 408 B15R1.110 CC(O)CCCCCC[C@H]1CCC(=O)O1 CNP0339495.1 [0,1,0,1,0,0|2,0,0]=4 409 B15R1.77 CCCCCC(=O)OCC1COC(=O)C1 CNP0086956.0 [0,1,0,1,0,0|1,0,1]=4 410 B15R1.1180 CCCCCC1=N[C@H](CCC1)CC(=O)C CNP0199357.1 [0,1,0,1,0,0|1,0,1]=4 411 B15R1.942 CCC(C)CCCCC1CCCC(=O)O1 CNP0351135.0 [0,1,0,1,0,0|2,0,0]=4 412 B15R1.961 CCC(C)CCCCCC1CCC(=O)O1 CNP0271081.0 [0,1,0,1,0,0|2,0,0]=4 413 B15R1.961 CC[C@@H](O)CCCCC[C@H]1CCC(=O)O1 CNP0208587.1 [0,1,0,1,0,0|2,0,0]=4 414 B15R1.11631 COC(=O)CCCCCCCCC1CC1 CNP0418126.0 [0,1,0,1,0,0|1,0,0]=3 415 B15R1.11631 COC(=O)CCCCCCCC[C@@H]1CO1 CNP0286552.2 [0,1,0,1,0,0|2,0,0]=4 416 B15R1.11631 COC(=O)CCCCCCCC[C@H]1CO1 CNP0286552.1 [0,1,0,1,0,0|2,0,0]=4 417 B15R1.12434 CC[C@H](C)CCC[C@H]1CCCCC(=O)O1 CNP0157041.1 [0,1,0,1,0,0|2,0,0]=4 418 B15R1.253 N[C@H]1CCCCCCCCCCNC1=O CNP0547506.1 [0,1,0,1,0,0|1,0,0]=3 419 B15R1.6595 O=C1C=CCCCCCCCCCCC1 CNP0071987.0 [0,1,0,1,0,0|1,0,0]=3 420 B15R1.6595 O=C1CCCC=CCCCCCCCC1 CNP0321790.0 [0,1,0,1,0,0|1,0,1]=4 421 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [0,1,0,1,0,0|1,0,0]=3 422 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [0,1,0,1,0,0|0,0,0]=2 423 B15R1.224 CCCCCCC1CC(CO1)OC(=O)C CNP0002819.0 [0,1,0,1,0,0|1,0,0]=3 424 B15R1.1010 CCCCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0545694.1 [0,1,0,1,0,0|2,0,0]=4 425 B15R1.5365 CCCCCCCC[C@@H]1CC(=O)CC1=O CNP0321800.1 [0,1,0,1,0,0|1,0,1]=4 426 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)C1 CNP0104860.1 [0,1,0,1,0,0|1,0,0]=3 427 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)O1 CNP0233115.1 [0,1,0,1,0,0|0,0,0]=2 428 B15R1.106 CCCCCCCCC1CCCC(=O)O1 CNP0174932.0 [0,1,0,1,0,0|2,0,0]=4 429 B15R1.6476 O=C1CCCCCCCC(=O)OCCO1 CNP0319407.0 [0,1,0,1,0,0|1,0,1]=4 430 B15R2.68122 CC(=O)N[C@@H]1CCCN2[C@@H]1CCCC2 CNP0418093.2 [0,0,0,2,0,0|2,0,0]=4 431 B15R2.68122 CC(=O)N[C@H]1CCCN2[C@H]1CCCC2 CNP0418093.1 [0,0,0,2,0,0|2,0,0]=4 432 B15R2.1428 CCCCC1OC(=O)C2C1CCCC2 CNP0003483.0 [0,0,0,2,0,0|2,0,0]=4 433 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