0 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.2 CCCC#CC#CC(C)O CNP0243792.0 [0,0,0,0,0,0|0,0,4]=4 9 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,0,0,0,0|0,0,4]=4 10 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,0,0,0,0|1,0,3]=4 11 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,0,0,0,0,0|1,0,3]=4 12 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,0,0,0,0|0,0,4]=4 13 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,0,0,0,0,0|1,0,3]=4 14 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,0,0,0,0|1,0,1]=2 18 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,0,0,0,0|1,0,2]=3 23 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,0,0,0,0|1,0,2]=3 24 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,0,0,0,0,0|1,0,0]=1 25 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,0,0,0,0,0|0,0,0]=0 26 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,0,0,0,0,0|0,0,0]=0 27 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.2 CCCSSSCC(C)C CNP0003372.0 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.2 CS(O)CCCCN=C=S CNP0368937.0 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.2 C[S@+]([O-])CCCCCC#N CNP0534941.2 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.2 C[S@@+]([O-])CCCCCC#N CNP0534941.1 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,0,0,0,0|0,0,2]=3 38 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,0,0,0,0|0,0,2]=3 39 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,0,0,0,0,0|0,0,2]=3 40 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|0,0,3]=4 41 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|0,0,2]=3 42 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,0,0,0,0|0,0,2]=3 43 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|0,0,2]=3 44 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|0,0,2]=3 45 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,0,0,0,0,0|0,0,2]=3 46 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,0,0,0,0,0|0,0,2]=3 47 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,0,0,0,0|0,0,2]=3 48 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,0,0,0,0|0,0,2]=3 49 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|0,0,2]=3 54 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|0,0,0]=1 55 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|1,0,0]=2 56 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|0,0,0]=1 57 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|1,0,0]=2 58 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,0,0,0,0|1,0,0]=2 59 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|0,0,2]=3 60 B8R0.4 CCCCCCN=C=S CNP0253332.0 [1,0,0,0,0,0|1,1,1]=4 61 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|1,0,2]=4 62 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.4 CCCCCCSSC CNP0510251.0 [1,0,0,0,0,0|2,0,0]=3 64 B8R0.4 CCCCNCCCC CNP0203128.0 [1,0,0,0,0,0|1,0,0]=2 65 B8R0.4 CCCCOCCCC CNP0077266.0 [1,0,0,0,0,0|1,0,0]=2 66 B8R0.4 CCCCOCCCO CNP0141373.0 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.4 CCCCSCCCC CNP0370059.0 [1,0,0,0,0,0|1,0,0]=2 68 B8R0.4 CCCCSSCCC CNP0003137.0 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.4 CCCSSSCCC CNP0085911.0 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.4 CCNCCCNCC CNP0239670.0 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.4 CCOCCOCCO CNP0079970.0 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.4 COCCOCCOC CNP0466646.0 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.4 CSCCCCC=NO CNP0070910.0 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.4 CSCCCCCC#N CNP0267304.0 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.4 NCCCNCCCN CNP0609056.0 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.4 NCCCOCCCN CNP0453820.0 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,0,0,0,0|0,0,2]=3 78 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,0,0,0,0,0|0,0,2]=3 79 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,0,0,0,0,0|2,0,0]=3 81 B8R0.7 CC(C)OCCCCO CNP0461229.0 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,0,0,0,0,0|0,0,2]=3 84 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,0,0,0,0|1,0,2]=4 85 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,0,0,0,0|0,0,2]=3 86 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|0,0,2]=3 87 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|1,0,2]=4 88 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|1,0,1]=3 90 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,0,0,0,0,0|1,0,0]=2 91 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,0,0,0,0,0|1,0,0]=2 92 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,0,0,0,0|0,0,0]=1 93 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,0,0,0,0,0|1,0,0]=2 94 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,0,0,0,0|0,0,0]=1 95 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|1,0,2]=4 98 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,0,0,0,0,0|1,0,0]=2 100 B8R0.7 CCCCSSC(C)C CNP0003138.0 [1,0,0,0,0,0|3,0,0]=4 101 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|1,0,2]=4 102 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [1,0,0,0,0,0|3,0,0]=4 103 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,0,0,0,0|2,0,1]=4 104 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,0,0,0,0|2,0,1]=4 105 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [0,1,0,0,0,0|2,0,1]=4 106 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [0,1,0,0,0,0|2,0,1]=4 108 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,1,0,0,0,0|2,0,1]=4 110 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [0,1,0,0,0,0|2,0,0]=3 111 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [0,1,0,0,0,0|2,0,0]=3 112 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,0|1,0,2]=4 113 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,1,0,0,0,0|2,0,1]=4 114 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,1,0,0,0,0|1,0,0]=2 115 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,1,0,0,0,0|1,0,1]=3 117 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,1,0,0,0,0|1,0,1]=3 119 B10R0.3 C[C@H](O)CCC[C@@H](O)CCO CNP0334179.1 [0,1,0,0,0,0|1,0,0]=2 120 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,1,0,0,0,0|0,0,3]=4 122 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,0,0,0,0|1,0,2]=4 123 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|0,0,2]=3 124 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [0,1,0,0,0,0|1,0,1]=3 125 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,0,0,0,0|1,0,2]=4 126 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,0,0,0,0|0,0,3]=4 127 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,1,0,0,0,0|1,0,2]=4 128 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [0,1,0,0,0,0|0,0,1]=2 130 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|0,0,3]=4 131 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,0,0,0,0|1,0,2]=4 132 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,1,0,0,0,0|0,0,1]=2 133 B10R0.4 CCCCCCC=NN(C)C CNP0085650.0 [0,1,0,0,0,0|2,0,1]=4 134 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|0,0,2]=3 135 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,0,0,0,0|1,0,2]=4 136 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,0,0,0,0|1,0,2]=4 137 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,0,0,0,0|1,0,1]=3 138 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,1,0,0,0,0|1,0,0]=2 139 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,1,0,0,0,0|0,0,0]=1 140 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,1,0,0,0,0|0,0,0]=1 141 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,1,0,0,0,0|1,0,1]=3 142 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,1,0,0,0,0|1,0,1]=3 143 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|0,0,2]=3 144 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [0,1,0,0,0,0|1,0,0]=2 146 B10R0.4 CCCCSSCCC(C)C CNP0600028.0 [0,1,0,0,0,0|2,0,0]=3 147 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [0,1,0,0,0,0|1,0,1]=3 148 B10R0.4 C[S@+]([O-])CCCCCCC#N CNP0522618.1 [0,1,0,0,0,0|1,0,2]=4 149 B10R0.4 C[S@H+]([O-])CCCCCCC#N CNP0582396.1 [0,1,0,0,0,0|1,0,2]=4 150 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,0,0,0,0|1,0,1]=3 151 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,0,0,0,0|2,0,1]=4 153 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,0,0,0,0|1,0,1]=3 154 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,0,0,0,0|1,0,1]=3 155 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,0,0,0,0|1,0,2]=4 156 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,1,0,0,0,0|2,0,1]=4 157 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,0,0,0,0|1,0,1]=3 158 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,0,0,0,0|1,0,1]=3 159 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,0|1,0,2]=4 160 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,0,0,0,0|1,0,1]=3 161 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,1,0,0,0,0|2,0,1]=4 162 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,1,0,0,0,0|1,0,1]=3 163 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,1,0,0,0,0|1,0,1]=3 164 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,1,0,0,0,0|2,0,1]=4 165 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,0,0,0,0|2,0,1]=4 166 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,1,0,0,0,0|3,0,0]=4 167 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,1,0,0,0,0|3,0,0]=4 168 B10R0.55 CC(C)CCCCC(C)CO CNP0444832.0 [0,1,0,0,0,0|2,0,0]=3 169 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,1,0,0,0,0|0,0,0]=1 170 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,0,0,0,0|1,0,1]=3 171 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,0,0,0,0|0,0,3]=4 173 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,1,0,0,0,0|0,0,1]=2 174 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [0,1,0,0,0,0|1,0,2]=4 175 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,0,0,0,0|0,0,1]=2 176 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|0,0,2]=3 177 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|0,0,2]=3 178 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,0,0,0,0|1,0,1]=3 179 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|0,0,2]=3 180 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,1,0,0,0,0|0,0,0]=1 181 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,1,0,0,0,0|1,0,0]=2 182 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,1,0,0,0,0|1,0,0]=2 183 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,1,0,0,0,0|0,0,0]=1 184 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,1,0,0,0,0|1,0,0]=2 185 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,1,0,0,0,0|0,0,0]=1 186 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|1,0,2]=4 187 B10R0.74 NCCCCNCC(O)CN CNP0547539.0 [0,1,0,0,0,0|2,0,0]=3 188 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,0,0,0,0|1,0,2]=4 189 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,0,0,0,0|1,0,1]=3 190 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,0,0,0,0|1,0,1]=3 191 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,0,0,0,0|1,0,1]=3 192 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,0,0,0,0|1,0,1]=3 193 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,0,0,0,0|1,0,1]=3 194 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,1,0,0,0,0|2,0,1]=4 195 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,0,0,0,0|2,0,1]=4 196 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,0,0,0,0|2,0,1]=4 197 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,0,0,0,0|2,0,1]=4 198 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,0,0,0,0|2,0,1]=4 199 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,1,0,0,0,0|2,0,1]=4 200 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [0,1,0,0,0,0|1,0,0]=2 201 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,1,0,0,0,0|1,0,1]=3 202 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [0,1,0,0,0,0|1,0,0]=2 203 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,0,0,0,0|0,0,2]=3 204 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,1,0,0,0,0|1,0,1]=3 205 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,1,0,0,0,0|0,0,0]=1 206 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,1,0,0,0,0|1,0,1]=3 207 B10R0.97 CC(O)CCOCCC(C)O CNP0211333.0 [0,1,0,0,0,0|1,0,0]=2 208 B10R1.10 C/C=C/[C@@H]1CCC[C@@H](N1)C CNP0335648.1 [0,0,0,1,0,0|1,0,2]=4 209 B10R1.10 C/C=C/[C@H]1CCC[C@H](N1)C CNP0335648.2 [0,0,0,1,0,0|1,0,2]=4 210 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,1,0,0|1,0,1]=3 211 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,0,0,1,0,0|1,0,0]=2 212 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,0,0,1,0,0|1,0,0]=2 213 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,0,0,1,0,0|1,1,0]=3 214 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,0,0,1,0,0|1,0,0]=2 215 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,0,0,1,0,0|1,0,0]=2 216 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,0,0,1,0,0|1,1,0]=3 217 B10R1.10 OCCC1OCCC(O1)O CNP0338052.0 [0,0,0,1,0,0|3,0,0]=4 218 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,1,0,0|1,0,2]=4 219 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,1,0,0|1,0,1]=3 220 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,1,0,0|1,0,1]=3 221 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,0,0,1,0,0|1,0,1]=3 222 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,1,0,0|1,0,2]=4 223 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,1,0,0|1,0,2]=4 224 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,0|1,0,2]=4 225 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [0,0,0,1,0,0|1,0,2]=4 226 B10R1.18 CC(C)CC1CC=CCC1 CNP0084870.0 [0,0,0,1,0,0|1,0,2]=4 227 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [0,0,0,1,0,0|1,0,0]=2 228 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [0,0,0,1,0,0|1,0,0]=2 229 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [0,0,0,1,0,0|1,0,0]=2 230 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [0,0,0,1,0,0|1,0,0]=2 231 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,0,1,0,0|1,0,1]=3 232 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,0,1,0,0|2,0,1]=4 233 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,0,0,1,0,0|2,0,1]=4 234 B10R1.38 CC1(CCCCC1C=O)C CNP0462462.0 [0,0,0,1,0,0|2,0,1]=4 235 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,0,0,1,0,0|1,0,1]=3 236 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,0,0,1,0,0|2,0,1]=4 237 B10R1.61 CC(C)[C@@H]1CCCC[C@@H]1O CNP0289802.3 [0,0,0,1,0,0|2,0,0]=3 238 B10R1.61 CC(C)[C@@H]1CCCC[C@H]1O CNP0289802.4 [0,0,0,1,0,0|2,0,0]=3 239 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O CNP0289802.2 [0,0,0,1,0,0|2,0,0]=3 240 B10R1.61 CC(C)[C@H]1CCCC[C@H]1O CNP0289802.1 [0,0,0,1,0,0|2,0,0]=3 241 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,0,1,0,0|2,0,1]=4 242 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,0,0,1,0,0|1,0,2]=4 243 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,0,0,1,0,0|1,0,2]=4 244 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,0,0,1,0,0|2,0,1]=4 245 B10R1.64 C[C@@H](O)C[C@@H]1CCCN1C CNP0115494.4 [0,0,0,1,0,0|1,0,0]=2 246 B10R1.64 C[C@@H](O)C[C@H]1CCCN1C CNP0115494.1 [0,0,0,1,0,0|1,0,0]=2 247 B10R1.64 C[C@H](O)C[C@@H]1CCCN1C CNP0115494.3 [0,0,0,1,0,0|1,0,0]=2 248 B10R1.64 C[C@H](O)C[C@H]1CCCN1C CNP0115494.2 [0,0,0,1,0,0|1,0,0]=2 249 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,0,0,1,0,0|1,0,2]=4 250 B10R1.66 CC(C)CSC1CCCC1 CNP0109585.0 [0,0,0,1,0,0|2,0,0]=3 251 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,0,0,1,0,0|2,0,1]=4 252 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|0,0,2]=3 253 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,0,1,0,0|1,0,2]=4 254 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,0,1,0,0|1,0,2]=4 255 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,0,0,1,0,0|0,0,2]=3 256 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,0,1,0,0|1,0,1]=3 257 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,1,0,0|2,0,1]=4 258 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,1,0,0|2,0,1]=4 259 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|0,0,2]=4 260 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|0,0,2]=4 261 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|0,0,2]=4 262 B7R0.1 CCC#CCCCC CNP0602501.0 [2,0,0,0,0,0|0,0,2]=4 263 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|0,0,2]=4 264 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|0,0,2]=4 265 B7R0.1 CCCC#CCCC CNP0381743.0 [2,0,0,0,0,0|0,0,2]=4 266 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|0,0,2]=4 267 B7R0.1 CCCC=CCCO CNP0287313.0 [2,0,0,0,0,0|0,0,2]=4 268 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|0,0,2]=4 269 B7R0.1 CCCCCCC#N CNP0186663.0 [2,0,0,0,0,0|1,0,1]=4 270 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,2]=4 271 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,0]=2 272 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,0]=3 273 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|0,0,0]=2 274 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|1,0,0]=3 275 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|1,0,0]=3 276 B7R0.1 CCCCCSSC CNP0201479.0 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.1 CCCCNCCO CNP0185911.0 [2,0,0,0,0,0|1,0,0]=3 278 B7R0.1 CCCCOCCO CNP0080154.0 [2,0,0,0,0,0|1,0,0]=3 279 B7R0.1 CCCSSCCC CNP0328321.0 [2,0,0,0,0,0|2,0,0]=4 280 B7R0.1 CCNCCCCN CNP0107714.0 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.1 CCNCCNCC CNP0103183.0 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.1 CNCCCCCN CNP0390055.0 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.1 CNCCCCNC CNP0145070.0 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.1 COCCOCCO CNP0610336.0 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.1 NCCCCCCN CNP0230906.0 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.1 NCCCCCCO CNP0568466.0 [2,0,0,0,0,0|1,0,0]=3 287 B7R0.1 NCCCCCNO CNP0455910.0 [2,0,0,0,0,0|2,0,0]=4 288 B7R0.1 OCCCCCCBr CNP0593386.0 [2,0,0,0,0,0|1,0,0]=3 289 B7R0.1 OCCCCCCO CNP0080019.0 [2,0,0,0,0,0|1,0,0]=3 290 B7R0.1 OCCCCCCS CNP0154751.0 [2,0,0,0,0,0|1,0,0]=3 291 B7R0.1 OCCCSCCO CNP0079791.0 [2,0,0,0,0,0|2,0,0]=4 292 B7R0.1 SCCCCCCS CNP0089642.0 [2,0,0,0,0,0|1,1,0]=4 293 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|0,0,2]=4 294 B7R0.4 CC(C)CCCCO CNP0497904.0 [2,0,0,0,0,0|2,0,0]=4 295 B7R0.4 CC(O)CCCCO CNP0285438.0 [2,0,0,0,0,0|1,0,0]=3 296 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|0,0,2]=4 297 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|0,0,2]=4 298 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|0,0,2]=4 299 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,2]=4 300 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|1,0,1]=4 301 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|1,0,1]=4 302 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|1,0,0]=3 303 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|1,0,1]=4 304 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,0]=3 305 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|0,0,0]=2 306 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|0,1,0]=3 307 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,0]=3 308 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|0,0,0]=2 309 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|0,1,0]=3 310 B7R0.4 CCCNCC(C)C CNP0333564.0 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.4 CCCSCC(C)C CNP0116113.0 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.4 CCNCCC(C)C CNP0184897.0 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [2,0,0,0,0,0|1,0,1]=4 315 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [1,1,0,0,0,0|0,0,2]=4 316 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [1,1,0,0,0,0|0,0,2]=4 317 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,1,0,0,0,0|0,0,1]=3 318 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,1,0,0,0,0|0,0,1]=3 319 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|1,0,1]=4 320 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|0,0,2]=4 321 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|0,0,2]=4 322 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,1,0,0,0,0|0,0,0]=2 323 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,1,0,0,0,0|0,0,0]=2 324 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [1,1,0,0,0,0|0,0,0]=2 325 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [1,1,0,0,0,0|2,0,0]=4 327 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,1,0,0,0,0|0,0,1]=3 328 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [1,1,0,0,0,0|1,0,0]=3 330 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [1,1,0,0,0,0|1,0,0]=3 331 B9R0.45 C#CCCCCCCCC CNP0272182.0 [1,1,0,0,0,0|0,0,1]=3 332 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,1,0,0,0,0|0,0,1]=3 333 B9R0.45 C=CCCCCCCCO CNP0326407.0 [1,1,0,0,0,0|0,0,1]=3 334 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,1,0,0,0,0|0,0,1]=3 335 B9R0.45 CCC#CCCCCCC CNP0606734.0 [1,1,0,0,0,0|0,0,1]=3 336 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,1,0,0,0,0|0,0,1]=3 337 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,1,0,0,0,0|0,0,1]=3 338 B9R0.45 CCCC#CCCCCC CNP0576219.0 [1,1,0,0,0,0|0,0,1]=3 339 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,1,0,0,0,0|0,0,1]=3 340 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,1,0,0,0,0|0,0,1]=3 341 B9R0.45 CCCCCCC#CCO CNP0485953.0 [1,1,0,0,0,0|0,0,1]=3 342 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,1,0,0,0,0|0,0,1]=3 343 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,1,0,0,0,0|0,0,2]=4 344 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,1,0,0,0,0|0,0,1]=3 345 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,1,0,0,0,0|0,0,1]=3 346 B9R0.45 CCCCCCCCC#N CNP0309769.0 [1,1,0,0,0,0|0,0,1]=3 347 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,1,0,0,0,0|0,0,1]=3 348 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,1,0,0,0,0|0,0,0]=2 349 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,1,0,0,0,0|0,0,0]=2 350 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,1,0,0,0,0|0,0,0]=2 351 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,1,0,0,0,0|0,0,0]=2 352 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,1,0,0,0,0|0,0,2]=4 353 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,1,0,0,0,0|0,0,2]=4 354 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,1,0,0,0,0|0,0,0]=2 355 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,1,0,0,0,0|0,0,0]=2 356 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,1,0,0,0,0|0,0,0]=2 357 B9R0.45 CCCCOCCCCO CNP0571704.0 [1,1,0,0,0,0|0,0,0]=2 358 B9R0.45 CCOCCOCCOC CNP0567615.0 [1,1,0,0,0,0|2,0,0]=4 359 B9R0.45 CSCCCCCC=NO CNP0405939.0 [1,1,0,0,0,0|1,0,1]=4 360 B9R0.45 CSCCCCCCC#N CNP0328653.0 [1,1,0,0,0,0|1,0,1]=4 361 B9R0.45 NCCCCCCCCN CNP0462737.0 [1,1,0,0,0,0|1,0,0]=3 362 B9R0.45 NCCCCNCCCN CNP0279184.0 [1,1,0,0,0,0|2,0,0]=4 363 B9R0.45 OCCCCCCCCO CNP0076363.0 [1,1,0,0,0,0|0,0,0]=2 364 B9R0.45 OCCCSSCCCO CNP0182015.0 [1,1,0,0,0,0|2,0,0]=4 365 B9R0.45 OCCOCCOCCO CNP0560711.0 [1,1,0,0,0,0|2,0,0]=4 366 B9R0.45 SCCCCCCCCS CNP0058300.0 [1,1,0,0,0,0|0,1,0]=3 367 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,1,0,0,0,0|0,0,2]=4 368 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [1,1,0,0,0,0|0,0,2]=4 369 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,1,0,0,0,0|0,0,2]=4 370 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [1,1,0,0,0,0|0,0,2]=4 371 B9R0.46 CCCC#CCC(O)CC CNP0082068.0 [1,1,0,0,0,0|0,0,2]=4 372 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [1,1,0,0,0,0|1,0,1]=4 373 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,1,0,0,0,0|0,0,1]=3 374 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,1,0,0,0,0|1,0,1]=4 375 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|0,0,2]=4 376 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [1,1,0,0,0,0|0,0,0]=2 377 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [1,1,0,0,0,0|2,0,0]=4 378 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|0,0,0]=2 379 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,1,0,0,0,0|0,0,0]=2 380 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [1,1,0,0,0,0|0,0,0]=2 381 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,1,0,0,0,0|1,0,0]=3 382 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,1,0,0,0,0|0,0,0]=2 383 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,1,0,0,0,0|1,0,1]=4 384 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [1,1,0,0,0,0|2,0,0]=4 385 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [1,1,0,0,0,0|0,0,0]=2 386 B9R0.46 NCCCSC[C@H](N)CO CNP0509719.1 [1,1,0,0,0,0|2,0,0]=4 387 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [1,1,0,0,0,0|1,0,1]=4 390 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [1,1,0,0,0,0|0,0,0]=2 391 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,1,0,0,0,0|1,0,0]=3 392 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,1,0,0,0,0|1,0,1]=4 393 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [1,1,0,0,0,0|1,0,0]=3 394 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,1,0,0,0,0|1,0,1]=4 395 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [1,1,0,0,0,0|1,0,0]=3 396 B9R0.38 CCCCC=CC(C)(C)O CNP0348905.0 [1,1,0,0,0,0|0,0,2]=4 397 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [1,1,0,0,0,0|0,0,1]=3 398 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [1,1,0,0,0,0|0,0,0]=2 399 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,1,0,0,0,0|1,0,1]=4 400 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [1,1,0,0,0,0|1,0,1]=4 401 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|0,0,2]=4 402 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [1,1,0,0,0,0|1,0,1]=4 403 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [1,1,0,0,0,0|1,0,1]=4 404 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [1,1,0,0,0,0|1,0,1]=4 405 B9R0.47 CCCCC[C@H](O)C(Br)Br CNP0017667.1 [1,1,0,0,0,0|2,0,0]=4 406 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [1,1,0,0,0,0|0,0,0]=2 407 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [1,1,0,0,0,0|0,0,0]=2 408 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [1,1,0,0,0,0|1,0,1]=4 409 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,1,0,0,0,0|0,0,2]=4 410 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [1,1,0,0,0,0|1,0,0]=3 411 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [1,1,0,0,0,0|1,0,1]=4 412 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [1,1,0,0,0,0|1,0,1]=4 413 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [1,1,0,0,0,0|1,0,1]=4 414 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [1,1,0,0,0,0|1,0,1]=4 415 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|0,0,2]=4 416 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [1,1,0,0,0,0|1,0,1]=4 417 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [1,1,0,0,0,0|1,0,0]=3 418 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [1,1,0,0,0,0|0,0,0]=2 419 B11R0.1 C=C(C)CC(C)CC(C)CCC CNP0549740.0 [0,2,0,0,0,0|1,0,1]=4 420 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O CNP0510136.1 [0,2,0,0,0,0|1,0,1]=4 421 B11R0.59 CCCC(C)C(C)CCC(=O)O CNP0340761.0 [0,2,0,0,0,0|1,0,1]=4 422 B11R0.145 CC[C@H](O)[C@H](C)CCC[C@H](C)O CNP0407566.1 [0,2,0,0,0,0|0,0,0]=2 423 B11R0.147 CC(C)CCCC(C)CCCO CNP0568830.0 [0,2,0,0,0,0|1,0,0]=3 424 B11R0.147 CCCCC(=O)OCCC(C)C CNP0141436.0 [0,2,0,0,0,0|1,0,1]=4 425 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,2,0,0,0,0|0,0,2]=4 426 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,2,0,0,0,0|1,0,1]=4 427 B11R0.174 CCCC(C)CCCC(C)CC CNP0076780.0 [0,2,0,0,0,0|1,0,0]=3 428 B11R0.174 CCCC(C)CCCC(C)CO CNP0041473.0 [0,2,0,0,0,0|0,0,0]=2 429 B11R0.174 CCC[C@@H](C)/C=C/C[C@H](C)CO CNP0345077.1 [0,2,0,0,0,0|0,0,2]=4 430 B11R0.174 C[C@@H](CCO)CCC[C@H](C)CO CNP0376305.1 [0,2,0,0,0,0|1,0,0]=3 431 B11R0.180 C[C@@H](CC=O)CCCC(C)(C)O CNP0276993.1 [0,2,0,0,0,0|1,0,1]=4 432 B11R0.180 C[C@H](CC=O)CCCC(C)(C)O CNP0276993.2 [0,2,0,0,0,0|1,0,1]=4 433 B11R0.180 C[C@H](CCO)CCCC(C)(C)O CNP0335724.1 [0,2,0,0,0,0|1,0,0]=3 434 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [0,2,0,0,0,0|1,0,1]=4 435 B11R0.2 CCCCCCC(C)CC(C)C CNP0576324.0 [0,2,0,0,0,0|1,0,0]=3 436 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,2,0,0,0,0|1,0,1]=4 437 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,2,0,0,0,0|0,0,2]=4 438 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,2,0,0,0,0|1,0,1]=4 439 B11R0.2 CCCCCOC(=O)CC(C)C CNP0135492.0 [0,2,0,0,0,0|1,0,1]=4 440 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,2,0,0,0,0|1,0,0]=3 441 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,2,0,0,0,0|1,0,1]=4 442 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [0,2,0,0,0,0|1,0,1]=4 443 B11R0.30 CC(C)CCCCCCC(C)C CNP0502165.0 [0,2,0,0,0,0|1,0,0]=3 444 B11R0.30 CC(C)CCSSCCC(C)C CNP0606250.0 [0,2,0,0,0,0|2,0,0]=4 445 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,2,0,0,0,0|0,0,1]=3 446 B11R0.40 C#CC(O)C=CCCCCCC CNP0540636.0 [0,2,0,0,0,0|0,0,2]=4 447 B11R0.40 C/C=C/CCCCC[C@H](C)CC CNP0099624.1 [0,2,0,0,0,0|1,0,1]=4 448 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,2,0,0,0,0|1,0,1]=4 449 B11R0.40 C=C[C@@H](O)C/C=C/CCCCC CNP0262643.1 [0,2,0,0,0,0|0,0,2]=4 450 B11R0.40 C=C[C@@H](O)C/C=C\CCCCC CNP0262643.2 [0,2,0,0,0,0|0,0,2]=4 451 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,2,0,0,0,0|0,0,1]=3 452 B11R0.40 CCC=CCCCCC(C)CC CNP0546883.0 [0,2,0,0,0,0|1,0,1]=4 453 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,2,0,0,0,0|0,0,2]=4 454 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,2,0,0,0,0|0,0,2]=4 455 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,2,0,0,0,0|0,0,0]=2 456 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,2,0,0,0,0|0,0,0]=2 457 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [0,2,0,0,0,0|1,0,0]=3 458 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,2,0,0,0,0|0,0,2]=4 459 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,2,0,0,0,0|0,0,2]=4 460 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,2,0,0,0,0|0,0,1]=3 461 B11R0.42 CCCCCCCC(C)C(C)C CNP0351892.0 [0,2,0,0,0,0|1,0,0]=3 462 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,2,0,0,0,0|0,0,1]=3 463 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,2,0,0,0,0|0,0,0]=2 464 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,2,0,0,0,0|1,0,0]=3 465 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,2,0,0,0,0|1,0,0]=3 466 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,2,0,0,0,0|1,0,1]=4 467 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,2,0,0,0,0|1,0,1]=4 468 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,2,0,0,0,0|1,0,1]=4 469 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|0,0,2]=4 470 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,2,0,0,0,0|1,0,1]=4 471 B11R0.46 CCCCCC(=O)NCC(C)C CNP0299314.0 [0,2,0,0,0,0|1,0,1]=4 472 B11R0.46 CCCCCC(=O)OCC(C)C CNP0258306.0 [0,2,0,0,0,0|1,0,1]=4 473 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,2,0,0,0,0|1,0,1]=4 474 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [0,2,0,0,0,0|0,0,0]=2 475 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [0,2,0,0,0,0|0,0,0]=2 476 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [0,2,0,0,0,0|0,0,0]=2 477 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,2,0,0,0,0|1,0,1]=4 478 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,2,0,0,0,0|1,0,1]=4 479 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [0,2,0,0,0,0|0,0,0]=2 480 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,2,0,0,0,0|0,0,2]=4 481 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,2,0,0,0,0|1,0,1]=4 482 B11R0.148 C=CCCCCCCCC(C)C CNP0591063.0 [0,2,0,0,0,0|1,0,0]=3 483 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,2,0,0,0,0|0,0,0]=2 484 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,2,0,0,0,0|1,0,1]=4 485 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|1,0,1]=4 486 B11R0.148 CCCC/C=C\CCC[C@@H](C)O CNP0328991.1 [0,2,0,0,0,0|0,0,0]=2 487 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|0,0,2]=4 488 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,2,0,0,0,0|1,0,1]=4 489 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,2,0,0,0,0|1,0,1]=4 490 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,2,0,0,0,0|0,0,2]=4 491 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,2,0,0,0,0|1,0,1]=4 492 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,2,0,0,0,0|1,0,1]=4 493 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,2,0,0,0,0|0,0,2]=4 494 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,2,0,0,0,0|1,0,1]=4 495 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,2,0,0,0,0|1,0,1]=4 496 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,2,0,0,0,0|0,0,2]=4 497 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,2,0,0,0,0|1,0,1]=4 498 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [0,2,0,0,0,0|1,0,0]=3 499 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,2,0,0,0,0|0,0,0]=2 500 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,2,0,0,0,0|0,0,0]=2 501 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,2,0,0,0,0|0,0,2]=4 502 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,2,0,0,0,0|0,0,2]=4 503 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,2,0,0,0,0|0,0,2]=4 504 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,2,0,0,0,0|0,0,2]=4 505 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,2,0,0,0,0|1,0,1]=4 506 B11R0.148 C[S+]([O-])CCCCCCCCN CNP0583267.0 [0,2,0,0,0,0|1,0,1]=4 507 B11R0.148 C[S@+]([O-])CCCCCCCC#N CNP0570120.1 [0,2,0,0,0,0|1,0,1]=4 508 B11R0.148 C[S@+]([O-])CCCCCCCC=N CNP0478957.1 [0,2,0,0,0,0|1,0,1]=4 509 B11R0.148 C[S@H+]([O-])CCCCCCCC#N CNP0479647.1 [0,2,0,0,0,0|1,0,1]=4 510 B11R0.148 C[S@H+]([O-])CCCCCCCC=N CNP0504595.1 [0,2,0,0,0,0|1,0,1]=4 511 B11R0.148 NCCCCCCCNC(N)N CNP0511413.0 [0,2,0,0,0,0|2,0,0]=4 512 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,2,0,0,0,0|1,0,1]=4 513 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,2,0,0,0,0|1,0,1]=4 514 B11R0.176 CCCC(=O)OCCCC(C)C CNP0508013.0 [0,2,0,0,0,0|1,0,1]=4 515 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,2,0,0,0,0|1,0,1]=4 516 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,2,0,0,0,0|0,0,1]=3 517 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [0,2,0,0,0,0|1,0,1]=4 518 B11R0.68 CCCC[C@H](O)[C@@H](C)CC(=O)O CNP0548280.1 [0,2,0,0,0,0|1,0,1]=4 519 B11R0.77 C=CC(CCCCC)CC(=O)O CNP0535039.0 [0,2,0,0,0,0|1,0,1]=4 520 B11R0.139 CCCCCC(O)C(O)C(=O)O CNP0086711.0 [0,2,0,0,0,0|1,0,1]=4 521 B11R0.154 CCCCCC(O)CC(O)CC CNP0502032.0 [0,2,0,0,0,0|0,0,0]=2 522 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [0,2,0,0,0,0|0,0,2]=4 523 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [0,2,0,0,0,0|0,0,2]=4 524 B11R0.49 CCCCCCCC(C)(C)CO CNP0350508.0 [0,2,0,0,0,0|0,0,0]=2 525 B11R0.29 CC(C)CCCC[C@H](N)C(=O)O CNP0257008.1 [0,2,0,0,0,0|1,0,1]=4 526 B11R0.29 C[C@H](O)CCCC[C@H](N)C(=O)O CNP0300370.1 [0,2,0,0,0,0|1,0,1]=4 527 B11R0.93 CC[C@H](C)C[C@H](C)CCC(=O)O CNP0332942.1 [0,2,0,0,0,0|1,0,1]=4 528 B11R0.106 CCC(C)CCCCC(C)CC CNP0584422.0 [0,2,0,0,0,0|1,0,0]=3 529 B11R0.106 OC[C@@H](O)CCCC[C@H](O)CO CNP0379783.1 [0,2,0,0,0,0|1,0,0]=3 530 B11R0.109 CC[C@H](C)CCC[C@@H](C)C(=O)O CNP0357116.1 [0,2,0,0,0,0|1,0,1]=4 531 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [0,2,0,0,0,0|0,0,0]=2 532 B11R0.4 CCCCCC=CC(C)CCO CNP0003544.0 [0,2,0,0,0,0|0,0,2]=4 533 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,2,0,0,0,0|0,0,2]=4 534 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,2,0,0,0,0|0,0,2]=4 535 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|0,0,2]=4 536 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [0,2,0,0,0,0|1,0,0]=3 537 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [0,2,0,0,0,0|0,0,0]=2 538 B11R0.4 CCCCCCO[C@H](C)OCC CNP0259643.1 [0,2,0,0,0,0|1,0,0]=3 539 B11R0.70 CCCCC(=O)OC[C@H](O)CO CNP0081553.1 [0,2,0,0,0,0|1,0,1]=4 540 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [0,2,0,0,0,0|0,0,2]=4 541 B11R0.70 CCCCC(C)CCC(C)CC CNP0547533.0 [0,2,0,0,0,0|1,0,0]=3 542 B11R0.70 CCCC[C@H](O)C#C[C@@H](O)CC CNP0148098.1 [0,2,0,0,0,0|0,0,2]=4 543 B11R0.124 CCCCCCCC(OC)OC CNP0398698.0 [0,2,0,0,0,0|0,0,0]=2 544 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [0,2,0,0,0,0|0,0,2]=4 545 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [0,2,0,0,0,0|0,0,2]=4 546 B11R0.76 CCCCCCC(CC)C(=O)C CNP0533246.0 [0,2,0,0,0,0|0,0,2]=4 547 B11R0.85 CC(C)CC[C@@H](N)CCC(=O)O CNP0367952.2 [0,2,0,0,0,0|1,0,1]=4 548 B11R0.85 CC(C)CC[C@H](N)CCC(=O)O CNP0367952.1 [0,2,0,0,0,0|1,0,1]=4 549 B11R0.85 C[C@@H](O)CC[C@H](O)CCC(=O)O CNP0319928.1 [0,2,0,0,0,0|1,0,1]=4 550 B11R0.164 CCCCC(CC)CCC(=O)O CNP0002943.0 [0,2,0,0,0,0|1,0,1]=4 551 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,2]=4 552 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,1,0,0|0,0,2]=4 553 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,1,0,0|0,0,2]=4 554 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,1,0,0|1,0,1]=4 555 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,1,0,0|0,0,0]=2 556 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [1,0,0,1,0,0|1,0,0]=3 557 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [1,0,0,1,0,0|1,0,0]=3 558 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [1,0,0,1,0,0|1,0,0]=3 559 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [1,0,0,1,0,0|1,0,0]=3 560 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [1,0,0,1,0,0|2,0,0]=4 561 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [1,0,0,1,0,0|0,0,2]=4 562 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [1,0,0,1,0,0|1,0,0]=3 563 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [1,0,0,1,0,0|1,0,0]=3 564 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [1,0,0,1,0,0|1,0,0]=3 565 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,1,0,0|0,0,2]=4 566 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [1,0,0,1,0,0|1,1,0]=4 567 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,0,0,1,0,0|1,0,0]=3 568 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|0,0,0]=2 569 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [1,0,0,1,0,0|1,0,0]=3 570 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [1,0,0,1,0,0|0,0,2]=4 571 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [1,0,0,1,0,0|0,0,2]=4 572 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [1,0,0,1,0,0|0,0,2]=4 573 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|0,0,2]=4 574 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [1,0,0,1,0,0|0,0,0]=2 575 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|0,0,0]=2 576 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [1,0,0,1,0,0|0,1,0]=3 577 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [1,0,0,1,0,0|0,0,0]=2 578 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|0,0,2]=4 579 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [1,0,0,1,0,0|0,0,2]=4 580 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [1,0,0,1,0,0|0,0,0]=2 581 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [1,0,0,1,0,0|1,0,0]=3 582 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|1,0,1]=4 583 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [1,0,0,1,0,0|1,0,0]=3 584 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [1,0,0,1,0,0|1,0,0]=3 585 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [1,0,0,1,0,0|1,0,0]=3 586 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [1,0,0,1,0,0|1,0,0]=3 587 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|0,0,2]=4 588 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [1,0,0,1,0,0|1,0,0]=3 589 B9R1.6 CC(C)N1CCCCC1 CNP0270932.0 [1,0,0,1,0,0|2,0,0]=4 590 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,1,0,0|1,0,1]=4 591 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,1,0,0|1,0,1]=4 592 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [1,0,0,1,0,0|1,0,0]=3 593 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [1,0,0,1,0,0|1,0,0]=3 594 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,1,0,0|1,0,1]=4 595 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [1,0,0,1,0,0|1,0,0]=3 596 B9R1.40 C[C@]1(CCCC[C@@H]1O)Cl CNP0062088.1 [1,0,0,1,0,0|2,0,0]=4 597 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [1,0,0,1,0,0|1,0,0]=3 598 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,0,0,1,0,0|1,0,1]=4 599 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,0,0,1,0,0|1,0,1]=4 600 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|0,0,2]=4 601 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|1,0,1]=4 602 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [1,0,0,1,0,0|1,0,1]=4 603 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [1,0,0,1,0,0|0,0,0]=2 604 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](N1)C CNP0270441.4 [0,1,0,1,0,0|0,0,2]=4 605 B11R1.157 CC(=O)C[C@@H]1CCC[C@H](N1)C CNP0270441.3 [0,1,0,1,0,0|0,0,2]=4 606 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](N1)C CNP0270441.2 [0,1,0,1,0,0|0,0,2]=4 607 B11R1.157 CC(=O)C[C@H]1CCC[C@H](N1)C CNP0270441.1 [0,1,0,1,0,0|0,0,2]=4 608 B11R1.157 CC(C)O[C@@H]1CCC[C@@H](C1)C CNP0180292.2 [0,1,0,1,0,0|2,0,0]=4 609 B11R1.157 CC(C)O[C@H]1CCC[C@@H](C1)C CNP0180292.1 [0,1,0,1,0,0|2,0,0]=4 610 B11R1.157 CC1=N[C@H](CCC1)C[C@@H](C)O CNP0113372.1 [0,1,0,1,0,0|0,0,1]=3 611 B11R1.157 C[C@@H]1CCC[C@@H](N1)C[C@@H](C)O CNP0140352.2 [0,1,0,1,0,0|0,0,0]=2 612 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@@H](N1)C CNP0140352.3 [0,1,0,1,0,0|0,0,0]=2 613 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@H](N1)C CNP0140352.1 [0,1,0,1,0,0|0,0,0]=2 614 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,1,0,0|0,0,1]=3 615 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,1,0,1,0,0|1,0,1]=4 616 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@@H]1O)C CNP0243697.8 [0,1,0,1,0,0|2,0,0]=4 617 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@H]1O)C CNP0243697.9 [0,1,0,1,0,0|2,0,0]=4 618 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1O)C CNP0243697.5 [0,1,0,1,0,0|2,0,0]=4 619 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C CNP0243697.6 [0,1,0,1,0,0|2,0,0]=4 620 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C CNP0243697.7 [0,1,0,1,0,0|2,0,0]=4 621 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@H]1O)C CNP0243697.4 [0,1,0,1,0,0|2,0,0]=4 622 B11R1.166 CC(C)[C@H]1CC[C@H](CC1O)C CNP0243697.3 [0,1,0,1,0,0|2,0,0]=4 623 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C CNP0243697.10 [0,1,0,1,0,0|2,0,0]=4 624 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1O)C CNP0243697.1 [0,1,0,1,0,0|2,0,0]=4 625 B11R1.166 CC1CC[C@@H]([C@H](C1)O)C(C)C CNP0243697.2 [0,1,0,1,0,0|2,0,0]=4 626 B11R1.424 CC[C@@H]1[C@H](CCCC1(C)C)C CNP0271938.1 [0,1,0,1,0,0|1,0,0]=3 627 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|1,0,1]=4 628 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|1,0,1]=4 629 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,1,0,0|1,0,1]=4 630 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,1,0,0|1,0,1]=4 631 B11R1.27 CCCC=CC1OCC(O1)C CNP0003194.0 [0,1,0,1,0,0|0,0,2]=4 632 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [0,1,0,1,0,0|0,0,0]=2 633 B11R1.27 CCCCCC1SSC(S1)C CNP0276947.0 [0,1,0,1,0,0|1,1,0]=4 634 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|1,0,1]=4 635 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|1,0,1]=4 636 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,1,0,1,0,0|1,0,0]=3 637 B11R1.27 CSCCCN1CCC(C1)C CNP0313643.0 [0,1,0,1,0,0|2,0,0]=4 638 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [0,1,0,1,0,0|1,0,0]=3 639 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,1,0,1,0,0|0,0,2]=4 640 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,1,0,1,0,0|0,0,2]=4 641 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C CNP0332204.2 [0,1,0,1,0,0|0,0,0]=2 642 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C CNP0332204.1 [0,1,0,1,0,0|0,0,0]=2 643 B11R1.91 CC(C)CCC1=CCCCC1 CNP0076495.0 [0,1,0,1,0,0|1,0,1]=4 644 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,1,0,1,0,0|1,0,1]=4 645 B11R1.99 CCCCCCCCC1CC1 CNP0611993.0 [0,1,0,1,0,0|1,0,0]=3 646 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [0,1,0,1,0,0|1,0,0]=3 647 B11R1.101 C[C@@H]1CCCCCCCNC1 CNP0435621.1 [0,1,0,1,0,0|1,0,0]=3 648 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,1,0,1,0,0|0,0,0]=2 649 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [0,1,0,1,0,0|0,0,0]=2 650 B11R1.101 PN1CCCCCNCCC1 CNP0213526.0 [0,1,0,1,0,0|2,0,0]=4 651 B11R1.191 CCC[C@@H]1CCCC[N+]1(C)C CNP0422167.1 [0,1,0,1,0,0|2,0,0]=4 652 B11R1.191 CCC[C@H]1CCCC[N+]1(C)C CNP0422167.2 [0,1,0,1,0,0|2,0,0]=4 653 B11R1.742 CC(O)CN1CCCCCC1 CNP0514501.0 [0,1,0,1,0,0|0,0,0]=2 654 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,1,0,1,0,0|1,0,1]=4 655 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,1,0,1,0,0|1,0,1]=4 656 B11R1.88 C[C@@H](O)C[C@]1(CCCN1C)C CNP0207746.3 [0,1,0,1,0,0|1,0,0]=3 657 B11R1.88 C[C@H](O)C[C@@]1(CCCN1C)C CNP0207746.1 [0,1,0,1,0,0|1,0,0]=3 658 B11R1.88 C[C@H](O)C[C@]1(CCCN1C)C CNP0207746.2 [0,1,0,1,0,0|1,0,0]=3 659 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,1,0,1,0,0|1,0,1]=4 660 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,1,0,1,0,0|1,0,1]=4 661 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,1,0,1,0,0|1,0,1]=4 662 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,1,0,1,0,0|1,0,1]=4 663 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,1,0,1,0,0|1,0,1]=4 664 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,1,0,1,0,0|1,0,1]=4 665 B11R1.159 C=C(C)C1CCCC(C1C)O CNP0518482.0 [0,1,0,1,0,0|1,0,1]=4 666 B11R1.313 C[C@H]1[C@@H](CC[C@@H]1C)CC(=O)O CNP0391795.1 [0,1,0,1,0,0|1,0,1]=4 667 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,1,0,1,0,0|0,0,2]=4 668 B11R1.40 CC[C@@H](O)C[C@@H]1CCCCN1 CNP0267069.1 [0,1,0,1,0,0|1,0,0]=3 669 B11R1.40 CC[C@H](O)C[C@H]1CCCCN1 CNP0267069.2 [0,1,0,1,0,0|1,0,0]=3 670 B11R1.40 CNC(C)CC1CCCCC1 CNP0071281.0 [0,1,0,1,0,0|1,0,0]=3 671 B11R1.40 N[C@H](CO)CC1CCCCC1 CNP0508776.1 [0,1,0,1,0,0|1,0,0]=3 672 B11R1.35 N[C@H](CC1CCCC1)C(=O)O CNP0066983.1 [0,1,0,1,0,0|1,0,1]=4 673 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 CNP0535459.2 [0,1,0,1,0,0|1,0,1]=4 674 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 CNP0535459.1 [0,1,0,1,0,0|1,0,1]=4 675 B11R1.520 C[C@@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.4 [0,1,0,1,0,0|1,0,1]=4 676 B11R1.520 C[C@@H]1CCCC[C@]1(N)C(=O)O CNP0518909.1 [0,1,0,1,0,0|1,0,1]=4 677 B11R1.520 C[C@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.2 [0,1,0,1,0,0|1,0,1]=4 678 B11R1.520 C[C@H]1CCCC[C@]1(N)C(=O)O CNP0518909.3 [0,1,0,1,0,0|1,0,1]=4 679 B11R1.737 NC1(CCCCCC1)C(=O)O CNP0306705.0 [0,1,0,1,0,0|1,0,1]=4 680 B11R1.285 CCCCC(=O)OCC1CO1 CNP0216897.0 [0,1,0,1,0,0|1,0,1]=4 681 B11R1.177 CC(=O)C1CCCCC1(C)C CNP0573229.0 [0,1,0,1,0,0|0,0,2]=4 682 B11R1.177 CC(C)[C@@H]1CC=CC[C@@]1(C)O CNP0119592.1 [0,1,0,1,0,0|0,0,2]=4 683 B11R2.434 O[C@@H]1C[C@@H]2C[C@H]([C@H](C1)N2)O CNP0177309.1 [0,0,0,2,0,0|2,0,0]=4 684 B11R2.434 O[C@H]1C[C@@H]2C[C@H]([C@H](C1)N2)O CNP0177309.2 [0,0,0,2,0,0|2,0,0]=4 685 B11R2.1 O[C@@H]1CCN2[C@H]1CCCC2 CNP0315202.1 [0,0,0,2,0,0|1,0,0]=3 686 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|1,0,1]=4 687 B11R2.67 C[C@H]1CCN2[C@H]1[C@@H](CC2)O CNP0316397.1 [0,0,0,2,0,0|1,0,0]=3 688 B11R2.116 O[C@@H]1CC[C@@H]2C[C@H]([C@H]1N2)O CNP0286503.2 [0,0,0,2,0,0|2,0,0]=4 689 B11R2.116 O[C@@H]1CC[C@H]2C[C@@H]([C@@H]1N2)O CNP0286503.4 [0,0,0,2,0,0|2,0,0]=4 690 B11R2.116 O[C@@H]1C[C@H]2CC[C@@H]([C@@H]1N2)O CNP0286503.1 [0,0,0,2,0,0|2,0,0]=4 691 B11R2.116 O[C@H]1CC[C@H]2C[C@@H]([C@@H]1N2)O CNP0286503.3 [0,0,0,2,0,0|2,0,0]=4 692 B11R2.748 C[C@@H]1CC[N+]2(C1)CCCC2 CNP0504616.2 [0,0,0,2,0,0|2,0,0]=4 693 B11R2.748 C[C@H]1CC[N+]2(C1)CCCC2 CNP0504616.1 [0,0,0,2,0,0|2,0,0]=4 694 B11R2.748 O=C1CCC2(C1)CCCC2 CNP0107580.0 [0,0,0,2,0,0|0,0,2]=4 695 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CNP0211377.3 [0,0,0,2,0,0|1,0,1]=4 696 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.1 [0,0,0,2,0,0|1,0,1]=4 697 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.2 [0,0,0,2,0,0|1,0,1]=4 698 B11R2.533 C[C@H]1CC[C@@H]2C[C@@H]1C2(C)C CNP0170599.1 [0,0,0,2,0,0|1,0,0]=3 699 B11R2.533 C[C@H]1CC[C@H]2C[C@@H]1C2(C)C CNP0170599.2 [0,0,0,2,0,0|1,0,0]=3 700 B11R2.732 CC1([C@@H]2CC[C@H]1[C@@H](C2)O)C CNP0048179.2 [0,0,0,2,0,0|2,0,0]=4 701 B11R2.732 CC1([C@H]2CC[C@@H]1[C@@H](C2)O)C CNP0048179.1 [0,0,0,2,0,0|2,0,0]=4 702 B11R2.432 CN1C2CC[C@@H]1C[C@@H](C2)O CNP0346043.7 [0,0,0,2,0,0|1,0,0]=3 703 B11R2.432 CN1C2CC[C@@H]1C[C@H](C2)O CNP0346043.6 [0,0,0,2,0,0|1,0,0]=3 704 B11R2.432 CN1[C@@H]2CC[C@@H]1CC(C2)O CNP0346043.4 [0,0,0,2,0,0|1,0,0]=3 705 B11R2.432 CN1[C@@H]2CC[C@H]1CC(C2)O CNP0346043.1 [0,0,0,2,0,0|1,0,0]=3 706 B11R2.432 CN1[C@@H]2CC[C@H]1C[C@@H](C2)O CNP0346043.5 [0,0,0,2,0,0|1,0,0]=3 707 B11R2.432 CN1[C@@H]2CC[C@H]1C[C@H](C2)O CNP0346043.2 [0,0,0,2,0,0|1,0,0]=3 708 B11R2.432 CN1[C@H]2CC[C@H]1CC(C2)O CNP0346043.8 [0,0,0,2,0,0|1,0,0]=3