0 B21R0.2907 CCC=CCC=CCC=CCCCCCCCC(=O)OCC CNP0216121.0 [0,0,0,0,0,0|0,0,4]=4 1 B21R0.2907 CCCCC=CC=CC=CCCCCCCCC(=O)OCC CNP0288893.0 [0,0,0,0,0,0|0,0,4]=4 2 B21R0.2907 CCCCC=CCC=CCCCCCCCCC(=O)OCC CNP0328186.0 [0,0,0,0,0,0|0,0,4]=4 3 B21R0.2907 CCCCC=CCCCCCCCCCCCC(=O)OCC CNP0232563.0 [0,0,0,0,0,0|0,0,4]=4 4 B21R0.2907 CCCCCC=CCC=CCC=CCCCCC(=O)OCC CNP0221277.0 [0,0,0,0,0,0|0,0,4]=4 5 B21R0.2907 CCCCCC=CCC=CCCC=CCCCC(=O)OCC CNP0363609.0 [0,0,0,0,0,0|0,0,4]=4 6 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)NCC CNP0137959.0 [0,0,0,0,0,0|1,0,2]=3 7 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC CNP0139692.0 [0,0,0,0,0,0|0,0,2]=2 8 B21R0.2907 CCCCCCC=CC=CCCCCCCCC(=O)OCC CNP0609551.0 [0,0,0,0,0,0|0,0,2]=2 9 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)NCC CNP0452596.0 [0,0,0,0,0,0|1,0,0]=1 10 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC CNP0199663.0 [0,0,0,0,0,0|0,0,0]=0 11 B21R0.2907 CCCCCCCCCCCCCCCC=CC(=O)OCC CNP0504154.0 [0,0,0,0,0,0|0,0,4]=4 12 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)CCO CNP0365004.0 [0,0,0,0,0,0|2,0,2]=4 13 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC CNP0233393.0 [0,0,0,0,0,0|0,0,2]=2 14 B20R0.39 CCCCCC=CCC=CCCCCCCC(=O)OCC CNP0366545.0 [1,0,0,0,0,0|0,0,2]=3 15 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC CNP0158535.0 [1,0,0,0,0,0|0,0,1]=2 16 B20R0.2932 CCCCCCCCC=CCCCCCCCCCCC CNP0086164.0 [1,0,0,0,0,0|1,0,1]=3 17 B20R0.2932 CCCCCCCCC=CCCCCCCCCCCO CNP0261137.0 [1,0,0,0,0,0|2,0,1]=4 18 B20R0.3034 CCC=CCCCCC=CCCCCCCCC(=O)OC CNP0086473.0 [1,0,0,0,0,0|0,0,2]=3 19 B20R0.3034 CCCCC=CCCC=CCCCCCCCC(=O)OC CNP0237546.0 [1,0,0,0,0,0|0,0,2]=3 20 B20R0.3034 CCCCCC#CCC=CCCCCCCCC(=O)OC CNP0271233.0 [1,0,0,0,0,0|0,0,2]=3 21 B20R0.3034 CCCCCC=CCC=CCCCCCCCC(=O)OC CNP0199763.0 [1,0,0,0,0,0|0,0,2]=3 22 B20R0.3034 CCCCCCCC=CCCCCCCCCC(=O)OC CNP0388640.0 [1,0,0,0,0,0|0,0,2]=3 23 B20R0.3034 CCCCCCCCC#CCCCCCCCC(=O)OC CNP0306927.0 [1,0,0,0,0,0|0,0,2]=3 24 B20R0.3034 CCCCCCCCC=CCC#CCCCCC(=O)OC CNP0205459.0 [1,0,0,0,0,0|0,0,2]=3 25 B20R0.3034 CCCCCCCCC=CCCCCC=CCC(=O)OC CNP0238008.0 [1,0,0,0,0,0|0,0,2]=3 26 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC CNP0185882.0 [1,0,0,0,0,0|0,0,0]=1 27 B20R0.3034 CCCCCCCCCC=CCCCCCCC(=O)OC CNP0085843.0 [1,0,0,0,0,0|0,0,2]=3 28 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC CNP0105908.0 [1,0,0,0,0,0|0,0,2]=3 29 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CC CNP0610568.0 [1,0,0,0,0,0|1,0,2]=4 30 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO CNP0188999.0 [1,0,0,0,0,0|1,0,2]=4 31 B22R0.54 CCCCCCCCCCCCCCCCCCC(=O)OCC CNP0421801.0 [0,1,0,0,0,0|0,0,2]=3 32 B22R0.56 CCCCCCCCCCCCCCCC(O)CC(=O)CCC CNP0002961.0 [0,1,0,0,0,0|1,0,2]=4 33 B22R0.56 CCCCCCCCCCCCCCC[C@H](O)CC(=O)OCC CNP0110594.1 [0,1,0,0,0,0|0,0,2]=3 34 B22R0.34672 CCCCCCCCC=CC(=O)CCCCCCC(=O)OCC CNP0190548.0 [0,1,0,0,0,0|0,0,1]=2 35 B22R0.37842 CCCCCC=CCC=CCCCCCCCC(=O)NC(C)C CNP0014674.0 [0,1,0,0,0,0|1,0,2]=4 36 B22R0.37842 CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C CNP0527320.0 [0,1,0,0,0,0|0,0,2]=3 37 B22R0.37842 CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C CNP0174735.0 [0,1,0,0,0,0|0,0,1]=2 38 B22R0.38515 C=CCOC(=O)CCCCCCCCCCCCCCCCC CNP0079849.0 [0,1,0,0,0,0|0,0,3]=4 39 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)NCCC CNP0085416.0 [0,1,0,0,0,0|1,0,2]=4 40 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)NCCO CNP0187671.0 [0,1,0,0,0,0|1,0,2]=4 41 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)OCCC CNP0148476.0 [0,1,0,0,0,0|0,0,2]=3 42 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)OCCO CNP0159042.0 [0,1,0,0,0,0|0,0,2]=3 43 B22R0.38515 CCCCCCCCC=CCCCCCCCC(=O)NCCO CNP0367242.0 [0,1,0,0,0,0|1,0,0]=2 44 B22R0.38515 CCCCCCCCC=CCCCCCCCC(=O)OCCC CNP0102478.0 [0,1,0,0,0,0|0,0,0]=1 45 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCO CNP0346699.0 [0,1,0,0,0,0|1,0,2]=4 46 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCC CNP0611631.0 [0,1,0,0,0,0|0,0,2]=3 47 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCO CNP0168351.0 [0,1,0,0,0,0|0,0,2]=3 48 B22R1.88526 CCOC(=O)CCCCCCC/C=C/C[C@H]1CCCC=C1C CNP0156238.1 [0,0,0,1,0,0|0,0,2]=3 49 B22R1.563000 O=C1CCCCCCCCCCCCCCCCCCCO1 CNP0274718.0 [0,0,0,1,0,0|0,0,2]=3 50 B19R0.36 CCC=CCCCCCCCCCCCCCCCC CNP0314255.0 [2,0,0,0,0,0|1,0,1]=4 51 B19R0.36 CCCCCCCCC=CCCCCCCCCCC CNP0434731.0 [2,0,0,0,0,0|0,0,1]=3 52 B19R0.148 CCCCCC=CCC=CCCCCCCC(=O)OC CNP0129331.0 [2,0,0,0,0,0|0,0,2]=4 53 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC CNP0086436.0 [2,0,0,0,0,0|0,0,2]=4 54 B19R0.148 CCCCCCCC=CCCCCCCCC(=O)OC CNP0126715.0 [2,0,0,0,0,0|0,0,0]=2 55 B19R0.148 CCCCCCCCC=CCCCCCCC(=O)OC CNP0179953.0 [2,0,0,0,0,0|0,0,0]=2 56 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC CNP0180209.0 [2,0,0,0,0,0|0,0,1]=3 57 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO CNP0363217.0 [2,0,0,0,0,0|1,0,1]=4 58 B19R0.182 C=COC(=O)CCCCCCCCCCCCCCC CNP0484018.0 [2,0,0,0,0,0|0,0,2]=4 59 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC CNP0421503.0 [2,0,0,0,0,0|0,0,0]=2 60 B19R0.182 CCCCCCCCCCCC=CCCC(=O)OCC CNP0261112.0 [2,0,0,0,0,0|0,0,2]=4 61 B19R0.182 CCCCCCCCCCCCCC=CC(=O)OCC CNP0181293.0 [2,0,0,0,0,0|0,0,2]=4 62 B19R0.182 CCCCCCCCCCCCCCCC(=O)CCO CNP0593211.0 [2,0,0,0,0,0|2,0,0]=4 63 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC CNP0001274.0 [2,0,0,0,0,0|1,0,0]=3 64 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC CNP0248873.0 [2,0,0,0,0,0|0,0,0]=2 65 B19R0.149 C=CCCCCCCC=CCCCCCCCC(=O)O CNP0586886.0 [2,0,0,0,0,0|0,0,2]=4 66 B19R0.149 CCC=CCCCCC=CCCCCCCCC(=O)O CNP0003634.0 [2,0,0,0,0,0|0,0,2]=4 67 B19R0.149 CCCCCC#CCC=CCCCCCCCC(=O)O CNP0311772.0 [2,0,0,0,0,0|0,0,2]=4 68 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)C CNP0173548.0 [2,0,0,0,0,0|0,0,2]=4 69 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O CNP0194582.0 [2,0,0,0,0,0|0,0,2]=4 70 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O CNP0416601.0 [2,0,0,0,0,0|0,0,2]=4 71 B19R0.149 CCCCCCCC=C=CCCCCCCCC(=O)O CNP0079672.0 [2,0,0,0,0,0|0,0,2]=4 72 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O CNP0255353.0 [2,0,0,0,0,0|0,0,2]=4 73 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O CNP0108185.0 [2,0,0,0,0,0|0,0,2]=4 74 B19R0.149 CCCCCCCCC=CC#CCCCCCC(=O)O CNP0206292.0 [2,0,0,0,0,0|0,0,2]=4 75 B19R0.149 CCCCCCCCC=CCC#CCCCCC(=O)O CNP0577637.0 [2,0,0,0,0,0|0,0,2]=4 76 B19R0.149 CCCCCCCCC=CCC=CCCCCC(=O)O CNP0296812.0 [2,0,0,0,0,0|0,0,2]=4 77 B19R0.149 CCCCCCCCC=CCCC=CCCCC(=O)O CNP0281671.0 [2,0,0,0,0,0|0,0,2]=4 78 B19R0.149 CCCCCCCCC=CCCCC=CCCC(=O)O CNP0227646.0 [2,0,0,0,0,0|0,0,2]=4 79 B19R0.149 CCCCCCCCC=CCCCCC=CCC(=O)O CNP0490158.0 [2,0,0,0,0,0|0,0,2]=4 80 B19R0.149 CCCCCCCCC=CCCCCCC=CC(=O)O CNP0003422.0 [2,0,0,0,0,0|0,0,2]=4 81 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)C CNP0108374.0 [2,0,0,0,0,0|0,0,0]=2 82 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl CNP0569991.0 [2,0,0,0,0,0|1,0,0]=3 83 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N CNP0300480.0 [2,0,0,0,0,0|1,0,0]=3 84 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O CNP0142072.0 [2,0,0,0,0,0|0,0,0]=2 85 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0513278.0 [2,0,0,0,0,0|0,0,1]=3 86 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0513626.0 [2,0,0,0,0,0|0,0,1]=3 87 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0516903.0 [2,0,0,0,0,0|0,0,1]=3 88 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0551974.0 [2,0,0,0,0,0|0,0,1]=3 89 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0569224.0 [2,0,0,0,0,0|0,0,1]=3 90 B19R0.149 CCCCCCCCC=CCCCCCCOC(=O)C CNP0298581.0 [2,0,0,0,0,0|1,0,0]=3 91 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O CNP0278514.0 [2,0,0,0,0,0|0,0,2]=4 92 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C CNP0183458.0 [2,0,0,0,0,0|0,0,2]=4 93 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O CNP0396081.0 [2,0,0,0,0,0|0,0,2]=4 94 B19R0.149 CCCCCCCCCCCCCCCCC[14C](=O)O CNP0516392.0 [2,0,0,0,0,0|0,0,2]=4 95 B21R0.294 CCOC(=O)CCCCCCCCCCCCCCC(C)C CNP0181172.0 [1,1,0,0,0,0|0,0,1]=3 96 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCO CNP0301654.0 [1,1,0,0,0,0|1,0,1]=4 97 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)OCCC CNP0181308.0 [1,1,0,0,0,0|0,0,1]=3 98 B21R0.81 CCCCCCCCC=CCCCCCCCCOC(=O)C CNP0282097.0 [1,1,0,0,0,0|0,0,2]=4 99 B21R0.36664 CCCCCCCCC=CCCCCCCCCOCCO CNP0538108.0 [1,1,0,0,0,0|0,0,1]=3 100 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC CNP0252541.0 [1,1,0,0,0,0|0,0,1]=3 101 B21R0.2929 CCCCCCCCC[C@@H](O)CCCCCCCC(=O)OC CNP0321577.1 [1,1,0,0,0,0|0,0,2]=4 102 B21R0.9167 CCCCCCCCCCCC(O)CCCCCC(=O)OC CNP0584041.0 [1,1,0,0,0,0|0,0,2]=4 103 B21R0.10777 CCCCCCCCC(=O)CCCCCCCCC(=O)OC CNP0252345.0 [1,1,0,0,0,0|0,0,1]=3 104 B21R0.10777 CCCCCCCC[C@H](C)CCCCCCCCC(=O)OC CNP0232040.1 [1,1,0,0,0,0|0,0,2]=4 105 B21R0.10777 CCCCCCCC[C@H](O)CCCCCCCCC(=O)OC CNP0313917.1 [1,1,0,0,0,0|0,0,2]=4 106 B21R0.16361 CCCC[C@H](C)CCCCCCCCCCCCC(=O)OC CNP0307831.1 [1,1,0,0,0,0|0,0,2]=4 107 B21R0.21192 CC/C=C\CC[C@@H](O)C/C=C\CCCCCCCC(=O)OC CNP0304013.1 [1,1,0,0,0,0|0,0,2]=4 108 B21R0.21192 CCCCCCC(=O)CC=CCCCCCCCC(=O)OC CNP0139323.0 [1,1,0,0,0,0|0,0,1]=3 109 B21R0.21192 CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OC CNP0179358.2 [1,1,0,0,0,0|0,0,0]=2 110 B21R0.21192 CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC CNP0179358.1 [1,1,0,0,0,0|0,0,0]=2 111 B21R0.21192 CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OC CNP0178504.1 [1,1,0,0,0,0|0,0,2]=4 112 B21R0.21192 CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC CNP0179358.3 [1,1,0,0,0,0|0,0,0]=2 113 B21R0.21192 CCCCCC[C@H](O)CCCCCCCCCCC(=O)OC CNP0178504.2 [1,1,0,0,0,0|0,0,2]=4 114 B21R0.23597 CCCCCC(=O)CCC=CCCCCCCCC(=O)OC CNP0152736.0 [1,1,0,0,0,0|0,0,1]=3 115 B21R0.23597 CCCCC[C@@H](O)/C=C/C=C\CCCCCCCC(=O)OC CNP0201876.2 [1,1,0,0,0,0|0,0,2]=4 116 B21R0.23597 CCCCC[C@@H](O)/C=C\C=C\CCCCCCCC(=O)OC CNP0201876.1 [1,1,0,0,0,0|0,0,2]=4 117 B21R0.23597 CCCCC[C@@H](O)CCCCCCCCCCCC(=O)OC CNP0041486.1 [1,1,0,0,0,0|0,0,2]=4 118 B21R0.24664 CC[C@@H](C)CCCCCCCCCCCCCCC(=O)OC CNP0310758.2 [1,1,0,0,0,0|0,0,2]=4 119 B21R0.24664 CC[C@H](C)CCCCC/C=C\CC/C=C\CCCC(=O)OC CNP0323721.1 [1,1,0,0,0,0|0,0,2]=4 120 B21R0.24664 CC[C@H](C)CCCCCCCCCCCCCCC(=O)OC CNP0310758.1 [1,1,0,0,0,0|0,0,2]=4 121 B21R0.30140 COC(=O)CCCC=CCCC=CCCCCCCC(C)C CNP0214214.0 [1,1,0,0,0,0|0,0,2]=4 122 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(C)C CNP0269749.0 [1,1,0,0,0,0|0,0,2]=4 123 B21R0.30140 COC(=O)CCCCCCCCCCCCCCC[C@H](C)O CNP0109694.1 [1,1,0,0,0,0|0,0,2]=4 124 B21R0.36393 CCCCCCCCCCCCCCC[C@H](O)CC(=O)OC CNP0112938.1 [1,1,0,0,0,0|0,0,2]=4 125 B21R0.37037 CCCCC/C=C\[C@@H](O)/C=C\CCCCCCCC(=O)OC CNP0226279.1 [1,1,0,0,0,0|0,0,2]=4 126 B21R0.37037 CCCCCCCC(C)CCCCCCCCCC(=O)OC CNP0191634.0 [1,1,0,0,0,0|0,0,2]=4 127 B23R0.2869 CCCCCCCCCCCCCCCCC(=O)CC(=O)OCC CNP0530597.0 [0,2,0,0,0,0|0,0,2]=4 128 B23R0.36661 CCCCCC=CCC=CCC=CCCCCCCC(=O)OCC CNP0329361.0 [0,2,0,0,0,0|0,0,2]=4 129 B23R0.36661 CCCCCCC=CCC=CCCCCCCCCC(=O)OCC CNP0428681.0 [0,2,0,0,0,0|0,0,1]=3 130 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)OCC CNP0395400.0 [0,2,0,0,0,0|0,0,2]=4 131 B23R0.37240 CCCCCCCCC=CCCCCCCCC(=O)NC(C)CO CNP0346742.0 [0,2,0,0,0,0|1,0,0]=3 132 B23R0.21901 CCCCCCC(O)CC=CCCCCCCCC(=O)OCCC CNP0390932.0 [0,2,0,0,0,0|0,0,0]=2 133 B23R0.9276 CCCCCC=CCC=CCCCCCCCC(=O)OCC(C)C CNP0552957.0 [0,2,0,0,0,0|0,0,2]=4 134 B23R0.9276 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C)O CNP0556048.1 [0,2,0,0,0,0|0,0,0]=2 135 B23R0.9276 CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)O CNP0154928.0 [0,2,0,0,0,0|1,0,1]=4 136 B23R0.9276 CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C CNP0485200.0 [0,2,0,0,0,0|0,0,0]=2 137 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)OCC(C)C CNP0592211.0 [0,2,0,0,0,0|0,0,2]=4 138 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)OCC(C)O CNP0276302.0 [0,2,0,0,0,0|0,0,2]=4 139 B23R0.36743 CCCCCC=CCC=CCCCCCCCC(=O)OCCCC CNP0389073.0 [0,2,0,0,0,0|0,0,2]=4 140 B23R0.36743 CCCCCCCCC=CCCCCCCCC(=O)OCCCC CNP0275629.0 [0,2,0,0,0,0|0,0,0]=2 141 B23R0.36743 CCCCCCCCC=CCCCCCCCC(=O)OCCCO CNP0529381.0 [0,2,0,0,0,0|0,0,0]=2 142 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)OCCCC CNP0086415.0 [0,2,0,0,0,0|0,0,2]=4 143 B21R1.17776 CCCCCCC/C=C\CCCCCC[C@H]1CCN=C1C CNP0306904.1 [1,0,0,1,0,0|2,0,0]=4 144 B21R1.301839 O=C1CCCCCCCC=CCCCCCCCCCO1 CNP0085772.0 [1,0,0,1,0,0|0,0,0]=2 145 B21R1.64503 COC(=O)CCCCCCCCCCCCC1CCCC1 CNP0306630.0 [1,0,0,1,0,0|0,0,2]=4 146 B21R1.77907 CCCCCCCCC1=C(C1)CCCCCCC(=O)OC CNP0227015.0 [1,0,0,1,0,0|0,0,2]=4 147 B21R1.77907 CCCCCCCCC1CC1CCCCCCC(=O)OC CNP0612163.0 [1,0,0,1,0,0|0,0,2]=4 148 B23R1.150119 CCCCC[C@@H]1O[C@@H]1C/C=C\CCCCCCCC(=O)OCC CNP0374544.1 [0,1,0,1,0,0|0,0,0]=2 149 B23R1.194779 CCCCCCCC/C=C\CCCCCCC1=C[C@@H](OC1=O)C CNP0277824.1 [0,1,0,1,0,0|0,0,1]=3