0 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,0,0,0,0,0|0,0,0]=0 7 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,0,0,0,0,0|2,0,0]=2 11 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,0,0,0,0,0|3,0,0]=3 12 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [1,0,0,0,0,0|0,0,0]=1 15 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,0,0,0,0,0|1,0,1]=3 21 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.2 CCCSSSCC(C)C CNP0003372.0 [1,0,0,0,0,0|2,1,0]=4 24 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,0,0,0,0,0|1,0,2]=4 25 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,0,0,0,0,0|0,0,2]=3 27 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,0,0,0,0,0|1,0,2]=4 28 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,0,0,0,0,0|1,0,0]=2 31 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,0,0,0,0,0|2,0,0]=3 33 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,0,0,0,0,0|1,0,2]=4 35 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,0,0,0,0,0|0,0,0]=1 36 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,0,0,0,0,0|3,0,0]=4 38 B11R0.6 C=C(C)CCOC(=O)CC(=C)C CNP0386732.0 [0,1,0,0,0,0|0,0,3]=4 39 B11R0.6 C=C(C)CCOC(=O)CC(C)C CNP0147789.0 [0,1,0,0,0,0|0,0,2]=3 40 B11R0.6 CC(=CC(=O)OCCC(C)C)C CNP0302991.0 [0,1,0,0,0,0|0,0,2]=3 41 B11R0.6 CC(=CCOC(=O)CC(C)C)C CNP0115393.0 [0,1,0,0,0,0|0,0,2]=3 42 B11R0.6 CC(=CCSC(=O)CC(C)C)C CNP0242977.0 [0,1,0,0,0,0|0,1,2]=4 43 B11R0.6 CC(=O)CC(=O)OCCC(C)C CNP0002893.0 [0,1,0,0,0,0|0,0,1]=2 44 B11R0.6 CC(C)CCOC(=O)CC(C)C CNP0335578.0 [0,1,0,0,0,0|0,0,0]=1 45 B11R0.145 C=C(C#N)C(=O)OCCC(C)C CNP0495507.0 [0,1,0,0,0,0|1,0,2]=4 46 B11R0.145 CC=C(C)C(=O)OCCC(C)C CNP0234140.0 [0,1,0,0,0,0|0,0,2]=3 47 B11R0.145 CC[C@@H](C)C(=O)OCCC(C)C CNP0330262.1 [0,1,0,0,0,0|0,0,0]=1 48 B11R0.147 CC(C)CCCC(C)CCCO CNP0568830.0 [0,1,0,0,0,0|2,0,1]=4 49 B11R0.147 CCCCC(=O)OCCC(C)C CNP0141436.0 [0,1,0,0,0,0|0,0,0]=1 50 B11R0.174 CCCC(=O)OCCC(C)CC CNP0235877.0 [0,1,0,0,0,0|0,0,0]=1 51 B11R0.174 CCCC(C)CCCC(C)CC CNP0076780.0 [0,1,0,0,0,0|2,0,1]=4 52 B11R0.174 CCCC(C)CCCC(C)CO CNP0041473.0 [0,1,0,0,0,0|2,0,1]=4 53 B11R0.180 CCCC(=O)OCC[N+](C)(C)C CNP0549253.0 [0,1,0,0,0,0|1,0,0]=2 54 B11R0.180 CCCC(=O)OCC[N+](C)(C)C CNP0602327.0 [0,1,0,0,0,0|1,0,0]=2 55 B11R0.180 CCCC(=O)SCC[N+](C)(C)C CNP0516061.0 [0,1,0,0,0,0|1,1,0]=3 56 B11R0.180 CCOC(=O)CCC[N+](C)(C)C CNP0063315.0 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.157 CC1=N[C@H](CCC1)C[C@@H](C)O CNP0113372.1 [0,0,0,1,0,0|3,0,0]=4 58 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [0,0,0,1,0,0|1,0,2]=4 59 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,0,0,1,0,0|2,0,0]=3 60 B11R1.166 CC1=CC[C@@H]([C@H](C1)O)C(C)C CNP0359399.1 [0,0,0,1,0,0|3,0,0]=4 61 B11R1.166 CC1=CC[C@H]([C@@H](C1)O)C(C)C CNP0359399.2 [0,0,0,1,0,0|3,0,0]=4 62 B11R1.166 CC1=CC[C@H]([C@H](C1)O)C(C)C CNP0359399.3 [0,0,0,1,0,0|3,0,0]=4 63 B11R1.424 CC1=CCCC(C1CO)(C)C CNP0086275.0 [0,0,0,1,0,0|3,0,0]=4 64 B11R1.424 CC[C@@H]1[C@H](CCCC1(C)C)C CNP0271938.1 [0,0,0,1,0,0|2,0,1]=4 65 B11R1.1251 CCO[P@@]1(=O)CCC[C@@H](C1)C CNP0060412.1 [0,0,0,1,0,0|3,0,0]=4 66 B11R1.1251 CCO[P@@]1(=O)CCC[C@H](C1)C CNP0060412.2 [0,0,0,1,0,0|3,0,0]=4 67 B11R1.1251 CCO[P@]1(=O)CCC[C@@H](C1)C CNP0060412.3 [0,0,0,1,0,0|3,0,0]=4 68 B11R1.1251 CCO[P@]1(=O)CCC[C@H](C1)C CNP0060412.4 [0,0,0,1,0,0|3,0,0]=4 69 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,0,0,0,1,0|0,0,2]=3 70 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,0,0,0,1,0|0,0,2]=3 71 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,0,0,0,1,0|1,0,1]=3 72 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,0,0,0,1,0|2,0,1]=4 73 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,0,0,0,1,0|1,0,0]=2 74 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,0,0,0,1,0|0,0,0]=1 75 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,0,0,0,1,0|0,0,2]=3 76 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,0,0,0,1,0|1,0,2]=4 77 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,0,0,0,1,0|2,0,1]=4 78 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,0,0,0,1,0|1,0,0]=2 79 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,0,0,0,1,0|3,0,0]=4 80 B11R0.176 CCCC(=O)OCCCC(C)C CNP0508013.0 [0,0,0,0,0,1|0,0,0]=1 81 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,0,0,0,0,1|2,0,0]=3 82 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,0,0,0,0,1|3,0,0]=4 83 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [2,0,0,0,0,0|0,0,2]=4 84 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [2,0,0,0,0,0|1,0,1]=4 85 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [2,0,0,0,0,0|1,0,0]=3 86 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [2,0,0,0,0,0|2,0,0]=4 88 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [2,0,0,0,0,0|0,0,0]=2 90 B8R0.7 CC(C)CCCCCO CNP0090200.0 [2,0,0,0,0,0|1,0,1]=4 91 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [2,0,0,0,0,0|1,0,1]=4 92 B8R0.7 CCCCCCC(C)C CNP0161146.0 [2,0,0,0,0,0|0,0,1]=3 93 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [2,0,0,0,0,0|1,0,1]=4 94 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [2,0,0,0,0,0|1,0,1]=4 95 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [2,0,0,0,0,0|1,0,1]=4 96 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [2,0,0,0,0,0|1,0,1]=4 97 B8R0.7 CCCCOCC(C)O CNP0506345.0 [2,0,0,0,0,0|1,0,1]=4 98 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [2,0,0,0,0,0|1,0,1]=4 99 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [2,0,0,0,0,0|0,0,2]=4 100 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [2,0,0,0,0,0|1,0,1]=4 101 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [2,0,0,0,0,0|1,0,0]=3 102 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [2,0,0,0,0,0|1,0,1]=4 103 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [2,0,0,0,0,0|1,0,0]=3 104 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [2,0,0,0,0,0|0,0,2]=4 105 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [2,0,0,0,0,0|0,0,0]=2 106 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [2,0,0,0,0,0|1,0,0]=3 107 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [2,0,0,0,0,0|0,1,0]=3 108 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [2,0,0,0,0,0|2,0,0]=4 110 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [2,0,0,0,0,0|2,0,0]=4 111 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|1,0,1]=4 112 B8R0.4 CCCC#CCCCC CNP0399647.0 [2,0,0,0,0,0|1,0,1]=4 113 B8R0.4 CCCC=CCCCC CNP0594829.0 [2,0,0,0,0,0|1,0,0]=3 114 B8R0.4 CCCC=CCCCO CNP0085599.0 [2,0,0,0,0,0|2,0,0]=4 115 B8R0.4 CCCCC=CCCO CNP0221419.0 [2,0,0,0,0,0|2,0,0]=4 116 B8R0.4 CCCCCCCCC CNP0402619.0 [2,0,0,0,0,0|1,0,1]=4 117 B8R0.4 CCCCNCCCC CNP0203128.0 [2,0,0,0,0,0|1,0,1]=4 118 B8R0.4 CCCCOCCCC CNP0077266.0 [2,0,0,0,0,0|0,0,1]=3 119 B8R0.4 CCCCOCCCO CNP0141373.0 [2,0,0,0,0,0|1,0,1]=4 120 B8R0.4 CCCCSCCCC CNP0370059.0 [2,0,0,0,0,0|0,1,1]=4 121 B8R0.4 CCCCSSCCC CNP0003137.0 [2,0,0,0,0,0|1,1,0]=4 122 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [2,0,0,0,0,0|0,0,2]=4 123 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [2,0,0,0,0,0|0,0,2]=4 124 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [2,0,0,0,0,0|1,0,0]=3 125 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [2,0,0,0,0,0|0,0,0]=2 126 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [2,0,0,0,0,0|1,0,0]=3 127 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [2,0,0,0,0,0|1,0,1]=4 128 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [2,0,0,0,0,0|0,0,2]=4 129 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [2,0,0,0,0,0|0,0,0]=2 130 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [2,0,0,0,0,0|2,0,0]=4 131 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [2,0,0,0,0,0|2,0,0]=4 132 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [1,1,0,0,0,0|1,0,0]=3 133 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [1,1,0,0,0,0|2,0,0]=4 134 B10R0.60 CCC(=O)OCC[N+](C)(C)C CNP0582310.0 [1,1,0,0,0,0|1,0,0]=3 135 B10R0.98 CC(=CCOC(=O)C(C)C)C CNP0003209.0 [1,1,0,0,0,0|0,0,2]=4 136 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [1,1,0,0,0,0|0,0,1]=3 137 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [1,1,0,0,0,0|0,0,0]=2 138 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [1,1,0,0,0,0|0,0,0]=2 139 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,1,0,0,0,0|1,0,1]=4 140 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [1,1,0,0,0,0|1,0,1]=4 141 B10R0.4 CCCCSSCCC(C)C CNP0600028.0 [1,1,0,0,0,0|0,1,1]=4 142 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [1,1,0,0,0,0|0,0,2]=4 143 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [1,1,0,0,0,0|1,0,1]=4 144 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [1,1,0,0,0,0|1,0,1]=4 145 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [1,1,0,0,0,0|1,0,1]=4 146 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [1,1,0,0,0,0|1,0,1]=4 147 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [1,1,0,0,0,0|1,0,1]=4 148 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [1,1,0,0,0,0|1,0,1]=4 149 B10R0.97 CC(O)CCOCCC(C)O CNP0211333.0 [1,1,0,0,0,0|1,0,1]=4 150 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [1,1,0,0,0,0|0,0,1]=3 151 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [1,1,0,0,0,0|1,0,0]=3 152 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [1,1,0,0,0,0|1,0,0]=3 153 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [1,1,0,0,0,0|0,0,0]=2 154 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [1,1,0,0,0,0|0,0,1]=3 155 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [1,1,0,0,0,0|2,0,0]=4 156 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [1,1,0,0,0,0|2,0,0]=4 157 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [1,1,0,0,0,0|2,0,0]=4 158 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [1,1,0,0,0,0|0,0,0]=2 159 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [1,1,0,0,0,0|2,0,0]=4 160 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [1,1,0,0,0,0|0,0,1]=3 161 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [1,1,0,0,0,0|0,0,0]=2 162 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [1,1,0,0,0,0|2,0,0]=4 163 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [1,1,0,0,0,0|2,0,0]=4 164 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [1,1,0,0,0,0|2,0,0]=4 165 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [1,1,0,0,0,0|1,0,0]=3 166 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [1,1,0,0,0,0|0,0,2]=4 167 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [1,1,0,0,0,0|0,0,0]=2 168 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [1,1,0,0,0,0|1,0,1]=4 169 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [1,1,0,0,0,0|2,0,0]=4 170 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [1,1,0,0,0,0|1,0,1]=4 171 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [1,1,0,0,0,0|1,0,0]=3 172 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [1,1,0,0,0,0|1,0,0]=3 173 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [1,1,0,0,0,0|2,0,0]=4 174 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [1,1,0,0,0,0|1,0,0]=3 175 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [1,1,0,0,0,0|0,0,0]=2 176 B10R0.91 CCCCOC(=O)CN=C=O CNP0504348.0 [1,1,0,0,0,0|1,0,1]=4 177 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [1,1,0,0,0,0|0,1,0]=3 178 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [1,1,0,0,0,0|0,0,0]=2 179 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [1,1,0,0,0,0|1,0,0]=3 180 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [1,1,0,0,0,0|1,0,0]=3 181 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,1,0,0,1,0|1,0,1]=4 182 B10R0.27 CCCC(CC)CCC(C)C CNP0482853.0 [0,1,0,0,1,0|1,0,1]=4 183 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,1,0,0,1,0|1,0,0]=3 184 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,1,0,0,1,0|1,0,0]=3 185 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,1,0,0,1,0|2,0,0]=4 186 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,1,0,0,1,0|0,0,1]=3 187 B10R0.96 CC(C)C=CC(=O)CC(C)C CNP0168890.0 [0,1,0,0,1,0|0,0,2]=4 188 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,1,0,0,1,0|1,0,0]=3 189 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [0,1,0,0,1,0|0,0,0]=2 190 B12R0.86 CCC(C)C(=O)OCCCC(C)C CNP0220928.0 [0,1,0,0,0,1|0,0,0]=2 191 B12R0.95 CCCCC(=O)OCCCC(C)C CNP0320343.0 [0,1,0,0,0,1|0,0,0]=2 192 B12R0.95 CCCOC(=O)NCCCN(C)C CNP0348045.0 [0,1,0,0,0,1|2,0,0]=4 193 B12R0.270 CC(C)CCCOC(=O)CC(C)C CNP0076997.0 [0,1,0,0,0,1|0,0,0]=2 194 B12R0.276 CCOC(=O)CCCC[C@@H](C)CC CNP0170449.1 [0,1,0,0,0,1|2,0,0]=4 195 B12R0.241 CC[C@H](C)CCOC(=O)CC(C)C CNP0310686.1 [0,2,0,0,0,0|0,0,0]=2 196 B12R0.686 C=C(C(=O)OCCC(C)C)[C@H](C)O CNP0309731.1 [0,2,0,0,0,0|0,0,1]=3 197 B12R0.687 CC(C)CC(=O)NC[C@@H](O)C(C)C CNP0293063.1 [0,2,0,0,0,0|1,0,0]=3 198 B12R0.156 CC=C(C)C(=O)OCCC(C)CC CNP0122564.0 [0,2,0,0,0,0|0,0,2]=4 199 B12R0.44 CC(C)CCCC(=O)CCC(C)C CNP0268061.0 [0,2,0,0,0,0|1,0,0]=3 200 B12R0.44 CC(C)CCNC(=O)CCC(C)C CNP0435204.0 [0,2,0,0,0,0|1,0,0]=3 201 B12R0.44 CC(C)CCOC(=O)CCC(C)C CNP0314746.0 [0,2,0,0,0,0|0,0,0]=2 202 B12R0.233 C=C(C)CCOC(=O)CCCCC CNP0572994.0 [0,2,0,0,0,0|0,0,2]=4 203 B12R0.233 CCC=CCC(=O)OCCC(C)C CNP0483242.0 [0,2,0,0,0,0|0,0,0]=2 204 B12R0.233 CCCCCC(=O)CCC[C@H](C)O CNP0232035.1 [0,2,0,0,0,0|2,0,0]=4 205 B12R0.233 CCCCCC(=O)OCC=C(C)C CNP0333606.0 [0,2,0,0,0,0|0,0,2]=4 206 B12R0.233 CCCCCC(=O)OCCC(C)C CNP0118805.0 [0,2,0,0,0,0|0,0,0]=2 207 B12R0.285 CCC=C(C)CCOC(=O)CCC CNP0575322.0 [0,2,0,0,0,0|0,0,1]=3 208 B12R0.285 CCCC(=O)OCC[C@@H](S)CCC CNP0002774.1 [0,2,0,0,0,0|1,0,0]=3 209 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [1,0,0,1,0,0|2,0,0]=4 210 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [1,0,0,1,0,0|1,0,0]=3 211 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [1,0,0,1,0,0|1,0,1]=4 212 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [1,0,0,1,0,0|1,0,1]=4 213 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [1,0,0,1,0,0|2,0,0]=4 214 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [1,0,0,1,0,0|2,0,0]=4 215 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [1,0,0,1,0,0|2,0,0]=4 216 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [1,0,0,1,0,0|2,0,0]=4 217 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [1,0,0,1,0,0|1,0,0]=3 218 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@H]1C CNP0176461.1 [1,0,0,1,0,0|1,0,1]=4 219 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [1,0,0,1,0,0|1,0,0]=3 220 B10R1.18 CC(C)CC1CC=CCC1 CNP0084870.0 [1,0,0,1,0,0|1,0,1]=4 221 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [1,0,0,1,0,0|1,0,1]=4 222 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [1,0,0,1,0,0|1,0,0]=3 223 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [1,0,0,1,0,0|1,0,0]=3 224 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [1,0,0,1,0,0|1,0,0]=3 225 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,0,0,1,0,0|2,0,0]=4 226 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,0,0,1,1,0|1,0,1]=4 227 B12R1.861 CC(=CC[C@H]1OC(=O)C[C@@H]1C)C CNP0303951.1 [0,0,0,1,0,1|0,0,1]=3 228 B12R1.861 CC(C)CCC1NC(=O)OC1C CNP0571291.0 [0,0,0,1,0,1|2,0,0]=4 229 B12R1.66 CC[C@@H]1OC(O[C@H]1C)CC(C)C CNP0085368.1 [0,1,0,1,0,0|1,0,1]=4 230 B12R1.101 C[C@@H](O)C[C@@H]1C[C@@H](CC(=O)O1)O CNP0233374.2 [0,1,0,1,0,0|1,0,0]=3 231 B12R1.101 C[C@H](O)C[C@@H]1C[C@@H](CC(=O)O1)O CNP0233374.1 [0,1,0,1,0,0|1,0,0]=3 232 B12R1.101 C[C@H](O)C[C@H]1C[C@@H](CC(=O)O1)O CNP0233374.3 [0,1,0,1,0,0|1,0,0]=3 233 B12R1.532 COC(=O)C[C@@H]1OC(=O)C[C@@H]1C CNP0441321.1 [0,1,0,1,0,0|1,0,1]=4 234 B12R2.2878 C[C@H]1[C@H]2C(=O)O[C@H]2C[C@@]1(C)O CNP0194146.1 [0,0,0,2,0,0|1,0,0]=3 235 B12R2.612 C[C@@H]1CC[C@H]2[C@@H]1COC(=O)C2 CNP0210998.1 [0,0,0,2,0,0|0,0,0]=2 236 B12R2.2899 C[C@@H]1C[C@H]2CC(=O)C[C@H](C2)O1 CNP0354996.1 [0,0,0,2,0,0|2,0,0]=4 237 B12R2.2899 C[C@H]1C[C@H]2C[C@@H](O1)CC(=O)O2 CNP0172956.1 [0,0,0,2,0,0|1,0,0]=3 238 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,0,0,0,1,0|0,0,2]=4 239 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,0,0,0,1,0|1,0,1]=4 240 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,0,0,0,1,0|0,0,0]=2 241 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,0,0,0,1,0|1,0,0]=3 242 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,0,0,0,1,0|0,0,0]=2 243 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,0,0,0,1,0|1,0,1]=4 244 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,0,0,0,1,0|0,0,2]=4 245 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,0,0,0,1,0|1,0,0]=3 246 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,0,0,0,1,0|1,0,0]=3 247 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,0,0,0,2,0|0,0,2]=4 248 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,0,0,2,0|1,0,1]=4 249 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,0,0,0,2,0|0,0,0]=2 250 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,0,0,0,2,0|0,0,0]=2 251 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,0,0,0,2,0|1,0,1]=4 252 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,0,0,0,2,0|1,0,0]=3 253 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,0,0,0,2,0|2,0,0]=4 254 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,0,0,0,2,0|2,0,0]=4 255 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,0,0,0,2,0|2,0,0]=4 256 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,0,0,0,2,0|2,0,0]=4 257 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,0,0,0,2,0|2,0,0]=4 258 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,0,0,0,2,0|2,0,0]=4 259 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,0,0,0,2,0|1,1,0]=4