0 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,0,0,0,0|0,0,4]=4 8 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,0,0,0,0,0|0,0,2]=2 9 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,0,0,0,0,0|0,0,0]=0 12 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,0,0,0,0|1,0,2]=3 15 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,0,0,0,0|0,0,2]=2 16 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,0,0,0,0|0,0,3]=3 17 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,0,0,0,0|0,0,3]=3 18 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,0,0,0,0|0,0,3]=3 19 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,0,0,0,0|0,0,3]=3 20 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,0,0,0,0|0,0,3]=3 21 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,0,0,0,0|0,0,3]=3 22 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,0,0,0,0,0|1,0,3]=4 23 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,0,0,0,0,0|1,0,3]=4 24 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,0,0,0,0,0|1,0,2]=3 25 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,0,0,0,0,0|1,0,3]=4 26 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.4 CC=CC#CCCCC CNP0343796.0 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [1,0,0,0,0,0|0,0,2]=3 36 B8R0.4 CC=CCCC=CCO CNP0076887.0 [1,0,0,0,0,0|0,0,3]=4 37 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.4 CC=CSSCCCC CNP0612155.0 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.4 CCC=CCC=CCO CNP0338368.0 [1,0,0,0,0,0|0,0,3]=4 41 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,0,0,0,0|0,0,2]=3 44 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,0,0,0,0|0,0,3]=4 45 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,0,0,0,0|0,0,2]=3 46 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,0,0,0,0|0,0,3]=4 47 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,0,0,0,0,0|1,0,1]=3 48 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,0,0,0,0|0,0,0]=1 49 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|0,0,1]=2 50 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,0,0,0,0|0,0,1]=2 51 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|0,0,2]=3 53 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|0,0,3]=4 54 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,0,0,0,0|1,0,2]=4 55 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|0,0,2]=3 56 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|1,0,1]=3 57 B8R0.4 CSCCCCC=NO CNP0070910.0 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.4 CSCCCN=CC=S CNP0098576.0 [1,0,0,0,0,0|2,1,0]=4 59 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [1,0,0,0,0,0|2,1,0]=4 60 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,0,0,0,0|1,0,1]=3 61 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,0,0,0,0,0|1,0,2]=4 62 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,0,0,0,0|3,0,0]=4 63 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,0,0,0,0|0,0,3]=4 65 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,0,0,0,0|0,0,2]=3 67 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,0,0,0,0|0,0,3]=4 68 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,0,0,0,0|1,0,0]=2 69 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,0,0,0,0|0,0,0]=1 70 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,0,0,0,0,0|1,0,1]=3 71 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,0,0,0,0|1,0,0]=2 73 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|1,0,1]=3 76 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|0,0,1]=2 77 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,0,0,0,0|1,0,2]=4 78 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,0,0,0,0|1,0,2]=4 79 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,0,0,0,0|1,0,1]=3 80 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,0,0,0,0|1,0,2]=4 81 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|2,0,0]=3 82 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,0,0,0,0|3,0,0]=4 86 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,0,0,0,0|1,0,1]=3 87 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,0,0,0,0|1,0,1]=3 89 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,0,0,0,0|1,0,2]=4 90 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,0|0,0,3]=4 91 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,0,0,0,0|2,0,1]=4 92 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,1,0,0,0,0|0,0,2]=3 93 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,0,0,0,0|0,0,3]=4 94 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,0,0,0,0|0,0,3]=4 95 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|1,0,2]=4 96 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,0,0,0,0|0,0,3]=4 97 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [0,1,0,0,0,0|0,0,1]=2 98 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,1,0,0,0,0|0,0,1]=2 99 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,1,0,0,0,0|1,0,2]=4 100 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,1,0,0,0,0|0,0,2]=3 101 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,1,0,0,0,0|1,0,0]=2 102 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,0,0,0,0|0,0,0]=1 103 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,1,0,0,0,0|1,0,0]=2 104 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|1,0,0]=2 105 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,0,0,0,0|1,0,0]=2 106 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,0,0,0,0|1,0,0]=2 107 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,0,0,0,0|0,0,0]=1 108 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,1,0,0,0,0|1,0,1]=3 109 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|1,0,2]=4 110 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,0,0,0,0|1,0,2]=4 111 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,0,0,0,0|1,0,2]=4 112 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,0,0,0,0|0,0,2]=3 113 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|1,0,2]=4 114 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,0,0,0,0|0,0,2]=3 116 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,0,0,0,0|0,0,2]=3 119 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,0,0,0,0|0,0,2]=3 120 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,1,0,0,0,0|2,0,0]=3 121 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,0,0,0,0|0,0,1]=2 122 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,0,0,0,0|0,0,2]=3 123 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,0,0,0,0|0,0,2]=3 124 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,0|2,0,1]=4 125 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,0,0,0,0|0,0,2]=3 126 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.6 CCCCOC(=O)NC(=O)N CNP0536572.0 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.55 CCC(=O)CCC=CC(=O)C CNP0534993.0 [0,1,0,0,0,0|1,0,1]=3 132 B10R0.55 CC[C@H](C)/C=C/C=C/C(=O)O CNP0204010.1 [0,1,0,0,0,0|0,0,2]=3 133 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,0,0,0,0|0,0,2]=3 134 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,0,0,0,0|1,0,2]=4 135 B10R0.74 CCCC#CC=CC(=O)OC CNP0126459.0 [0,1,0,0,0,0|0,0,2]=3 136 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,1,0,0,0,0|0,0,2]=3 137 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,0,0,0,0|0,0,0]=1 138 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|1,0,2]=4 140 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|0,0,2]=3 141 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,0,0,0,0|0,0,2]=3 142 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|0,1,2]=4 143 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|2,0,1]=4 144 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,0,0,0,0|0,0,1]=2 145 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,0,0,0,0|0,0,2]=3 146 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,0,0,0,0|0,0,2]=3 147 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,0,0,0,0|0,0,2]=3 148 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,0,0,0,0|0,0,2]=3 149 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,0,0,0,0|0,0,2]=3 150 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,0,0,0,0|1,0,2]=4 151 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,0,0,0,0|1,0,2]=4 152 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,1,0,0,0,0|1,0,1]=3 153 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,0,0,0,0|1,0,2]=4 154 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,0,0,0,0|1,0,2]=4 155 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,1,0,0,0,0|1,0,1]=3 156 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,1,0,0,0,0|1,0,2]=4 157 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,1,0,0,0,0|0,0,2]=3 158 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,0,0,0,0|1,0,2]=4 159 B10R0.97 CC(C)CC=CC=CC(=O)N CNP0168929.0 [0,1,0,0,0,0|1,0,2]=4 160 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,1,0,0,0,0|0,0,2]=3 161 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,1,0,0,0,0|0,0,0]=1 162 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,1,0,0,0,0|0,0,2]=3 163 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,0,0,1,0,0|1,0,2]=4 164 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,0,0,1,0,0|0,0,2]=3 165 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,1,0,0|0,0,2]=3 166 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,0,0,1,0,0|0,0,0]=1 167 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,0,0,1,0,0|0,0,0]=1 168 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,1,0,0|2,0,1]=4 169 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,1,0,0|0,0,2]=3 170 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,1,0,0|0,0,2]=3 171 B10R1.16 N#CCCN1C=CC(=O)O1 CNP0181152.0 [0,0,0,1,0,0|2,0,1]=4 172 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,0|2,0,1]=4 173 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,0,1,0,0|0,0,2]=3 174 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,0,1,0,0|1,0,2]=4 175 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,0,0,1,0,0|1,0,2]=4 176 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,0,0,1,0,0|1,0,2]=4 177 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,0,1,0,0|1,0,2]=4 178 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,0,0,1,0,0|2,0,1]=4 179 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,0,0,1,0,0|2,0,1]=4 180 B10R1.64 CC(=O)C=C1CCCN1C CNP0145277.0 [0,0,0,1,0,0|2,0,0]=3 181 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,0,0,1,0,0|1,0,2]=4 182 B10R1.66 NC(=O)/C=C/[C@@H]1CCCN1 CNP0509726.1 [0,0,0,1,0,0|2,0,0]=3 183 B10R1.66 NC(=O)C=CC1=NCCC1 CNP0286125.0 [0,0,0,1,0,0|2,0,1]=4 184 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,0,0,1,0,0|1,0,2]=4 185 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|1,0,2]=4 186 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,0,1,0,0|0,0,2]=3 187 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,1,0,0|1,0,1]=3 188 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,1,0,0|1,0,1]=3 189 B7R0.1 C#CC=CCCCC CNP0076122.0 [2,0,0,0,0,0|1,0,1]=4 190 B7R0.1 C=CC=CCCCC CNP0084214.0 [2,0,0,0,0,0|0,0,1]=3 191 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|0,0,1]=3 192 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|1,0,1]=4 193 B7R0.1 CC=CC=CCCC CNP0275494.0 [2,0,0,0,0,0|1,0,1]=4 194 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|0,0,1]=3 195 B7R0.1 CC=CCSCCC CNP0536250.0 [2,0,0,0,0,0|1,0,1]=4 196 B7R0.1 CCC=CC=CC=O CNP0276667.0 [2,0,0,0,0,0|0,0,2]=4 197 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|1,0,1]=4 198 B7R0.1 CCCC=CC=CO CNP0524724.0 [2,0,0,0,0,0|0,0,1]=3 199 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|0,0,2]=4 200 B7R0.1 CCCCC=CC=O CNP0210810.0 [2,0,0,0,0,0|0,0,0]=2 201 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|0,0,1]=3 202 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,1]=3 203 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|0,0,2]=4 204 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|1,0,0]=3 205 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|2,0,0]=4 206 B7R0.1 CCCCN=CC=S CNP0423600.0 [2,0,0,0,0,0|1,1,0]=4 207 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [2,0,0,0,0,0|1,1,0]=4 208 B7R0.1 CSCCCC=NO CNP0610383.0 [2,0,0,0,0,0|2,0,0]=4 209 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|1,0,0]=3 210 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [2,0,0,0,0,0|0,0,2]=4 211 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [2,0,0,0,0,0|0,0,2]=4 212 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|0,0,2]=4 213 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|0,0,2]=4 214 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|1,0,0]=3 215 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [2,0,0,0,0,0|0,0,0]=2 216 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|1,0,0]=3 217 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,0]=3 218 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|0,0,0]=2 219 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|0,1,0]=3 220 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|0,0,0]=2 221 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|1,0,1]=4 222 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|1,0,1]=4 223 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|2,0,0]=4 224 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|2,0,0]=4 225 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|1,0,0]=3 226 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|1,0,0]=3 227 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|2,0,0]=4 228 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [2,0,0,0,0,0|1,0,1]=4 229 B7R0.4 NCCCCC(=O)N CNP0001733.0 [2,0,0,0,0,0|2,0,0]=4 230 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|1,0,0]=3 231 B7R0.4 NCCNCC(=O)O CNP0461877.0 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|1,0,0]=3 233 B7R0.4 O=C(O)CNCCO CNP0333030.0 [2,0,0,0,0,0|2,0,0]=4 234 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [2,0,0,0,0,0|1,0,1]=4 235 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,1,0,0,0,0|1,0,1]=4 236 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [1,1,0,0,0,0|2,0,0]=4 237 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,1,0,0,0,0|1,0,0]=3 238 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,1,0,0,0,0|2,0,0]=4 239 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,1,0,0,0,0|0,0,2]=4 240 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|0,0,2]=4 241 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|0,0,2]=4 242 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [1,1,0,0,0,0|1,0,1]=4 243 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [1,1,0,0,0,0|1,0,1]=4 244 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [1,1,0,0,0,0|0,0,1]=3 245 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,1,0,0,0,0|1,0,1]=4 246 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,1,0,0,0,0|1,0,1]=4 247 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,1,0,0,0,0|1,0,0]=3 248 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [1,1,0,0,0,0|0,0,1]=3 249 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,1,0,0,0,0|1,0,0]=3 250 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [1,1,0,0,0,0|0,0,2]=4 251 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [1,1,0,0,0,0|0,0,1]=3 252 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [1,1,0,0,0,0|0,0,2]=4 253 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,1,0,0,0,0|1,0,1]=4 254 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,1,0,0,0,0|1,0,1]=4 255 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,1,0,0,0,0|1,0,1]=4 256 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,1,0,0,0,0|0,0,1]=3 257 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [1,1,0,0,0,0|0,0,1]=3 258 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,1,0,0,0,0|0,0,2]=4 259 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,1,0,0,0,0|0,0,0]=2 260 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,1,0,0,0,0|0,0,1]=3 261 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,1,0,0,0,0|0,0,0]=2 262 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,1,0,0,0,0|0,0,1]=3 263 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,1,0,0,0,0|0,0,2]=4 264 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,1,0,0,0,0|0,0,1]=3 265 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,1,0,0,0,0|0,0,2]=4 266 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,1,0,0,0,0|0,0,2]=4 267 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,1,0,0,0,0|0,0,2]=4 268 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,1,0,0,0,0|0,0,2]=4 269 B9R0.45 CSCCCCCC=NO CNP0405939.0 [1,1,0,0,0,0|1,0,1]=4 270 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,1,0,0,0,0|1,0,1]=4 271 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [1,1,0,0,0,0|0,0,0]=2 272 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [1,1,0,0,0,0|1,0,1]=4 273 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|0,0,2]=4 274 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [1,1,0,0,0,0|0,0,1]=3 275 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [1,1,0,0,0,0|0,0,0]=2 276 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [1,1,0,0,0,0|0,0,0]=2 277 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [1,1,0,0,0,0|2,0,0]=4 278 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|1,0,1]=4 279 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,1,0,0,0,0|0,0,1]=3 280 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,1,0,0,0,0|2,0,0]=4 281 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,1,0,0,0,0|0,0,1]=3 282 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [1,1,0,0,0,0|1,0,1]=4 284 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [1,1,0,0,0,0|1,0,1]=4 285 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [1,1,0,0,0,0|1,0,1]=4 286 B9R0.38 CCCCC=CC(C)(C)O CNP0348905.0 [1,1,0,0,0,0|1,0,1]=4 287 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,1,0,0,0,0|1,0,0]=3 288 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|1,0,0]=3 289 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [1,1,0,0,0,0|1,0,1]=4 290 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,1,0,0,0,0|0,0,1]=3 291 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [1,1,0,0,0,0|0,0,1]=3 292 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [1,1,0,0,0,0|0,0,1]=3 294 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [1,1,0,0,0,0|0,0,1]=3 295 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [1,1,0,0,0,0|0,0,1]=3 296 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [1,1,0,0,0,0|1,0,1]=4 297 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [1,1,0,0,0,0|1,0,1]=4 298 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [1,1,0,0,0,0|1,0,1]=4 300 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [1,1,0,0,0,0|1,0,1]=4 301 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [1,1,0,0,0,0|1,0,1]=4 302 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [1,1,0,0,0,0|1,0,1]=4 303 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [1,1,0,0,0,0|1,0,0]=3 304 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [1,1,0,0,0,0|1,0,1]=4 305 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [1,1,0,0,0,0|1,0,1]=4 306 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [1,1,0,0,0,0|1,0,0]=3 307 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [1,1,0,0,0,0|1,0,1]=4 308 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [1,1,0,0,0,0|1,0,1]=4 309 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [1,1,0,0,0,0|1,0,1]=4 310 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [1,1,0,0,0,0|1,0,1]=4 311 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [1,1,0,0,0,0|1,0,1]=4 312 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,1,0,0,0,0|1,0,1]=4 313 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [1,1,0,0,0,0|0,0,1]=3 314 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [1,1,0,0,0,0|0,0,1]=3 315 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [1,1,0,0,0,0|0,0,1]=3 316 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [1,1,0,0,0,0|0,0,1]=3 317 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [1,1,0,0,0,0|1,0,1]=4 318 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [1,1,0,0,0,0|1,0,0]=3 319 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [1,1,0,0,0,0|0,0,2]=4 320 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|1,0,1]=4 321 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [1,1,0,0,0,0|1,0,1]=4 322 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [1,1,0,0,0,0|0,0,1]=3 324 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [1,1,0,0,0,0|1,0,1]=4 327 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O CNP0510136.1 [0,2,0,0,0,0|0,0,2]=4 328 B11R0.6 CC(=CCCC(=CC(=O)O)C)C CNP0281881.0 [0,2,0,0,0,0|0,0,2]=4 329 B11R0.6 CC(=O)OCCC(=CC(=O)O)C CNP0373658.0 [0,2,0,0,0,0|1,0,1]=4 330 B11R0.59 C/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O CNP0072556.1 [0,2,0,0,0,0|0,0,2]=4 331 B11R0.59 CCCC(C)C(C)CCC(=O)O CNP0340761.0 [0,2,0,0,0,0|0,0,2]=4 332 B11R0.147 CCCC[C@@H](C)/C=N/NC(=O)N CNP0369494.1 [0,2,0,0,0,0|2,0,0]=4 333 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,2,0,0,0,0|0,0,2]=4 334 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [0,2,0,0,0,0|1,0,0]=3 335 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,2,0,0,0,0|0,0,0]=2 336 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,2,0,0,0,0|0,0,2]=4 337 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,2,0,0,0,0|0,0,2]=4 338 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,2,0,0,0,0|0,0,2]=4 339 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,2,0,0,0,0|0,0,2]=4 340 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [0,2,0,0,0,0|0,0,1]=3 341 B11R0.30 O=C(O)CC=CCCCC(=O)O CNP0001595.0 [0,2,0,0,0,0|1,0,1]=4 342 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,2,0,0,0,0|1,0,0]=3 343 B11R0.40 C#CC(O)C=CCCCCCC CNP0540636.0 [0,2,0,0,0,0|1,0,1]=4 344 B11R0.40 C=CCCCC=CCC(=O)OC CNP0572921.0 [0,2,0,0,0,0|0,0,2]=4 345 B11R0.40 C=C[C@@H](O)C/C=C/CCCCC CNP0262643.1 [0,2,0,0,0,0|1,0,1]=4 346 B11R0.40 C=C[C@@H](O)C/C=C\CCCCC CNP0262643.2 [0,2,0,0,0,0|1,0,1]=4 347 B11R0.40 CCC=CCC=CCC(=O)OC CNP0525214.0 [0,2,0,0,0,0|0,0,2]=4 348 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [0,2,0,0,0,0|0,0,1]=3 349 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,2,0,0,0,0|0,0,2]=4 350 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,2,0,0,0,0|0,0,0]=2 351 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,2,0,0,0,0|0,0,2]=4 352 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,2,0,0,0,0|0,0,0]=2 353 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,2,0,0,0,0|0,0,2]=4 354 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,2,0,0,0,0|0,0,2]=4 355 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,2,0,0,0,0|1,0,0]=3 356 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,2,0,0,0,0|0,0,2]=4 357 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,2,0,0,0,0|0,0,2]=4 358 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,2,0,0,0,0|0,0,2]=4 359 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,2,0,0,0,0|0,0,2]=4 360 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,2,0,0,0,0|0,0,1]=3 361 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,2,0,0,0,0|0,0,2]=4 362 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,2,0,0,0,0|0,0,2]=4 363 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [0,2,0,0,0,0|0,0,0]=2 364 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|1,0,1]=4 365 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,2,0,0,0,0|0,0,1]=3 366 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [0,2,0,0,0,0|0,0,1]=3 367 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,2,0,0,0,0|0,0,2]=4 368 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,2,0,0,0,0|0,0,0]=2 369 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,2,0,0,0,0|0,0,0]=2 370 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,2,0,0,0,0|0,0,0]=2 371 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,2,0,0,0,0|0,0,0]=2 372 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,2,0,0,0,0|0,0,0]=2 373 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [0,2,0,0,0,0|1,0,1]=4 374 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,2,0,0,0,0|0,0,2]=4 375 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [0,2,0,0,0,0|1,0,1]=4 376 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,2,0,0,0,0|0,0,2]=4 377 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,2,0,0,0,0|0,0,2]=4 378 B11R0.148 CC=CCCC=CCCC(=O)O CNP0199986.0 [0,2,0,0,0,0|0,0,2]=4 379 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,2,0,0,0,0|0,0,2]=4 380 B11R0.148 CCC=CCC=CC=CC(=O)O CNP0120995.0 [0,2,0,0,0,0|0,0,2]=4 381 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|0,0,2]=4 382 B11R0.148 CCCC#CC#CC=CC(=O)O CNP0157957.0 [0,2,0,0,0,0|0,0,2]=4 383 B11R0.148 CCCC=CC=CC=CC(=O)O CNP0201761.0 [0,2,0,0,0,0|0,0,2]=4 384 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,2,0,0,0,0|0,0,2]=4 385 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,2,0,0,0,0|0,0,2]=4 386 B11R0.148 CCCCCC=CC=CC(=O)N CNP0278760.0 [0,2,0,0,0,0|1,0,0]=3 387 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,2,0,0,0,0|0,0,0]=2 388 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,2,0,0,0,0|1,0,0]=3 389 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,2,0,0,0,0|0,0,0]=2 390 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,2,0,0,0,0|1,0,0]=3 391 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,2,0,0,0,0|0,0,0]=2 392 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,2,0,0,0,0|1,0,0]=3 393 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,2,0,0,0,0|1,0,0]=3 394 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,2,0,0,0,0|1,0,0]=3 395 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,2,0,0,0,0|0,0,0]=2 396 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,2,0,0,0,0|0,0,2]=4 397 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,2,0,0,0,0|0,0,2]=4 398 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,2,0,0,0,0|0,0,2]=4 399 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,2,0,0,0,0|0,0,2]=4 400 B11R0.176 CCCC(O)C=CC=CC(=O)O CNP0073641.0 [0,2,0,0,0,0|0,0,1]=3 401 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [0,2,0,0,0,0|0,0,0]=2 402 B11R0.176 C[C@@H](/C=C/C=C/C(=O)O)CCO CNP0232984.2 [0,2,0,0,0,0|0,0,2]=4 403 B11R0.176 C[C@H](/C=C/C=C/C(=O)O)CCO CNP0232984.1 [0,2,0,0,0,0|0,0,2]=4 404 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [0,2,0,0,0,0|0,0,2]=4 405 B11R0.68 CCCC[C@H](O)[C@@H](C)CC(=O)O CNP0548280.1 [0,2,0,0,0,0|0,0,2]=4 406 B11R0.77 C=CC(CCCCC)CC(=O)O CNP0535039.0 [0,2,0,0,0,0|0,0,2]=4 407 B11R0.139 CCCCCC(=O)C(=C(Br)Br)Br CNP0104595.0 [0,2,0,0,0,0|2,0,0]=4 408 B11R0.139 CCCCCC(=O)C(=C(Br)Br)I CNP0273659.0 [0,2,0,0,0,0|2,0,0]=4 409 B11R0.139 CCCCCC(=O)C(=C(Br)I)Br CNP0438634.0 [0,2,0,0,0,0|2,0,0]=4 410 B11R0.139 CCCCCC(=O)C(=C(Cl)Br)Cl CNP0241988.0 [0,2,0,0,0,0|2,0,0]=4 411 B11R0.139 CCCCCC(=O)C(C)C(=O)C CNP0003046.0 [0,2,0,0,0,0|1,0,1]=4 412 B11R0.139 CCCCCC(O)C(O)C(=O)O CNP0086711.0 [0,2,0,0,0,0|0,0,2]=4 413 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [0,2,0,0,0,0|0,0,2]=4 414 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [0,2,0,0,0,0|0,0,2]=4 415 B11R0.165 CCCCCC(=O)CP(=O)(O)O CNP0485796.0 [0,2,0,0,0,0|1,0,1]=4 416 B11R0.22 CC[C@H](/C=C/C=C/C(=O)O)CO CNP0525687.1 [0,2,0,0,0,0|0,0,2]=4 417 B11R0.29 CC(C)CCCC[C@H](N)C(=O)O CNP0257008.1 [0,2,0,0,0,0|0,0,2]=4 418 B11R0.29 C[C@H](O)CCCC[C@H](N)C(=O)O CNP0300370.1 [0,2,0,0,0,0|0,0,2]=4 419 B11R0.93 CC[C@H](C)/C=C(\C)/C=C/C(=O)O CNP0134398.1 [0,2,0,0,0,0|0,0,2]=4 420 B11R0.93 CC[C@H](C)C=C(C)C=CC(=O)O CNP0134398.2 [0,2,0,0,0,0|0,0,2]=4 421 B11R0.93 CC[C@H](C)C[C@H](C)CCC(=O)O CNP0332942.1 [0,2,0,0,0,0|0,0,2]=4 422 B11R0.106 CC[C@H](C)/C=C/C=C/C(=O)OC CNP0069809.1 [0,2,0,0,0,0|0,0,2]=4 423 B11R0.109 CCC(O)C=CC=C(C)C(=O)O CNP0182418.0 [0,2,0,0,0,0|0,0,2]=4 424 B11R0.109 CC[C@H](C)CCC[C@@H](C)C(=O)O CNP0357116.1 [0,2,0,0,0,0|0,0,2]=4 425 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,2,0,0,0,0|0,0,2]=4 426 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,2,0,0,0,0|0,0,2]=4 427 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,2,0,0,0,0|0,0,0]=2 428 B11R0.4 CCCCCC=CC(C)CCO CNP0003544.0 [0,2,0,0,0,0|1,0,1]=4 429 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,2,0,0,0,0|1,0,1]=4 430 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|0,0,2]=4 431 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [0,2,0,0,0,0|0,0,2]=4 432 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [0,2,0,0,0,0|0,0,2]=4 433 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [0,2,0,0,0,0|0,0,2]=4 434 B11R0.163 CCCC[C@H](C)/C=C(\C)/C(=O)O CNP0121150.1 [0,2,0,0,0,0|0,0,0]=2 435 B11R0.85 CC(C)CC[C@@H](N)CCC(=O)O CNP0367952.2 [0,2,0,0,0,0|0,0,2]=4 436 B11R0.85 CC(C)CC[C@H](N)CCC(=O)O CNP0367952.1 [0,2,0,0,0,0|0,0,2]=4 437 B11R0.85 C[C@@H](O)CC[C@H](O)CCC(=O)O CNP0319928.1 [0,2,0,0,0,0|0,0,2]=4 438 B11R0.164 CCCCC(CC)CCC(=O)O CNP0002943.0 [0,2,0,0,0,0|0,0,2]=4 439 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,2]=4 440 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|1,0,1]=4 441 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [1,0,0,1,0,0|2,0,0]=4 442 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,0,0,1,0,0|1,0,1]=4 443 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,1,0,0|1,0,1]=4 444 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,1,0,0|0,0,1]=3 445 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,0,0,1,0,0|1,0,1]=4 446 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [1,0,0,1,0,0|2,0,0]=4 447 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,1,0,0|1,0,1]=4 448 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,0,0,1,0,0|1,0,1]=4 449 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [1,0,0,1,0,0|0,0,1]=3 450 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [1,0,0,1,0,0|0,0,2]=4 451 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [1,0,0,1,0,0|0,0,0]=2 452 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [1,0,0,1,0,0|0,0,2]=4 453 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|0,0,2]=4 454 B9R1.20 CCC1OC1C=CC=O CNP0007771.0 [1,0,0,1,0,0|1,0,0]=3 455 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|0,0,2]=4 456 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|0,0,1]=3 457 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [1,0,0,1,0,0|2,0,0]=4 458 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [1,0,0,1,0,0|1,0,0]=3 459 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [1,0,0,1,0,0|2,0,0]=4 460 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [1,0,0,1,0,0|2,0,0]=4 461 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|1,0,1]=4 462 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,1,0,0|2,0,0]=4 463 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [1,0,0,1,0,0|1,0,1]=4 464 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [1,0,0,1,0,0|1,0,1]=4 465 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [1,0,0,1,0,0|0,0,0]=2 466 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [1,0,0,1,0,0|1,0,0]=3 467 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [1,0,0,1,0,0|1,0,0]=3 468 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [1,0,0,1,0,0|2,0,0]=4 469 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [1,0,0,1,0,0|1,0,0]=3 470 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,1,0,0|0,0,1]=3 471 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [1,0,0,1,0,0|1,0,1]=4 472 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [1,0,0,1,0,0|1,0,1]=4 473 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [1,0,0,1,0,0|1,0,1]=4 474 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [1,0,0,1,0,0|1,0,1]=4 475 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [1,0,0,1,0,0|1,0,1]=4 476 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [1,0,0,1,0,0|1,0,1]=4 477 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,1,0,0|0,0,1]=3 478 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [1,0,0,1,0,0|2,0,0]=4 479 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [1,0,0,1,0,0|1,0,1]=4 480 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [1,0,0,1,0,0|1,0,1]=4 481 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [1,0,0,1,0,0|2,0,0]=4 482 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,1,0,0|0,0,1]=3 483 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,1,0,0|1,0,1]=4 484 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [1,0,0,1,0,0|1,0,1]=4 485 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [1,0,0,1,0,0|1,0,1]=4 486 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [1,0,0,1,0,0|1,0,0]=3 487 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [1,0,0,1,0,0|1,0,1]=4 488 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [1,0,0,1,0,0|1,0,1]=4 489 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,0,0,1,0,0|0,0,1]=3 490 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,0,0,1,0,0|0,0,1]=3 491 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [1,0,0,1,0,0|1,0,1]=4 492 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [1,0,0,1,0,0|1,0,1]=4 493 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|1,0,1]=4 494 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|0,0,1]=3 495 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [1,0,0,1,0,0|0,0,1]=3 496 B11R1.15 C/C=C/[C@H](O)C1C=CC(=O)O1 CNP0325421.3 [0,1,0,1,0,0|0,0,2]=4 497 B11R1.15 C/C=C/[C@H](O)[C@@H]1C=CC(=O)O1 CNP0325421.2 [0,1,0,1,0,0|0,0,2]=4 498 B11R1.15 C/C=C/[C@H](O)[C@H]1C=CC(=O)O1 CNP0325421.1 [0,1,0,1,0,0|0,0,2]=4 499 B11R1.15 CC=C[C@H](O)[C@H]1C=CC(=O)O1 CNP0325421.4 [0,1,0,1,0,0|0,0,2]=4 500 B11R1.157 C[C@@H]1C=C(CCC1)CC(=O)O CNP0142469.1 [0,1,0,1,0,0|0,0,1]=3 501 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [0,1,0,1,0,0|0,0,0]=2 502 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,1,0,1,0,0|0,0,2]=4 503 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|0,0,2]=4 504 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|0,0,2]=4 505 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,1,0,1,0,0|1,0,1]=4 506 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,1,0,0|0,0,2]=4 507 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,1,0,0|0,0,2]=4 508 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [0,1,0,1,0,0|0,0,1]=3 509 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [0,1,0,1,0,0|0,0,1]=3 510 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,1,0,1,0,0|0,0,0]=2 511 B11R1.27 CCCCCC1=COC(=N1)C CNP0262620.0 [0,1,0,1,0,0|2,0,0]=4 512 B11R1.27 CCCCCC1=NC(=CO1)C CNP0193931.0 [0,1,0,1,0,0|2,0,0]=4 513 B11R1.27 CCCCCC1=NC(=CS1)C CNP0195745.0 [0,1,0,1,0,0|2,0,0]=4 514 B11R1.27 CCCCCC1=NC=C(S1)C CNP0237358.0 [0,1,0,1,0,0|1,1,0]=4 515 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,1,0,1,0,0|0,0,0]=2 516 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|0,0,2]=4 517 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|0,0,2]=4 518 B11R1.86 CC(=O)NC1=C(CCCC1)C CNP0186998.0 [0,1,0,1,0,0|2,0,0]=4 519 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,1,0,1,0,0|0,0,1]=3 520 B11R1.86 N[C@@H]1CCCC=C1CC(=O)O CNP0250203.1 [0,1,0,1,0,0|1,0,0]=3 521 B11R1.91 O=C(O)C=CC1=CCCCC1 CNP0158200.0 [0,1,0,1,0,0|0,0,1]=3 522 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,1,0,1,0,0|0,0,2]=4 523 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,0]=2 524 B11R1.706 C=C(C)C1C=CCCCCC1 CNP0507387.0 [0,1,0,1,0,0|2,0,0]=4 525 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,1,0,1,0,0|0,0,2]=4 526 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,1,0,1,0,0|0,0,2]=4 527 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C CNP0362437.1 [0,1,0,1,0,0|1,0,0]=3 528 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,1,0,1,0,0|0,0,2]=4 529 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,1,0,1,0,0|0,0,2]=4 530 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,1,0,1,0,0|0,0,2]=4 531 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,1,0,1,0,0|0,0,2]=4 532 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,1,0,1,0,0|0,0,2]=4 533 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,1,0,1,0,0|0,0,2]=4 534 B11R1.39 COC(=O)C[C@@H]1C=CC(=O)O1 CNP0175302.2 [0,1,0,1,0,0|1,0,1]=4 535 B11R1.39 COC(=O)C[C@H]1C=CC(=O)O1 CNP0175302.1 [0,1,0,1,0,0|1,0,1]=4 536 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [0,1,0,1,0,0|1,0,1]=4 537 B11R1.313 C[C@H]1[C@@H](CC[C@@H]1C)CC(=O)O CNP0391795.1 [0,1,0,1,0,0|0,0,2]=4 538 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,1,0,1,0,0|1,0,1]=4 539 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,1,0,1,0,0|1,0,1]=4 540 B11R1.25 COC(=O)C=CN1CCCC1 CNP0209325.0 [0,1,0,1,0,0|1,0,0]=3 541 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,1,0,1,0,0|0,0,2]=4 542 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,1,0,1,0,0|1,0,1]=4 543 B11R1.35 N[C@H](CC1CCCC1)C(=O)O CNP0066983.1 [0,1,0,1,0,0|0,0,2]=4 544 B11R1.36 C[C@@H](C(=O)O)C1=CCCCC1 CNP0363942.1 [0,1,0,1,0,0|0,0,2]=4 545 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 CNP0535459.2 [0,1,0,1,0,0|0,0,2]=4 546 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 CNP0535459.1 [0,1,0,1,0,0|0,0,2]=4 547 B11R1.520 C[C@@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.4 [0,1,0,1,0,0|0,0,2]=4 548 B11R1.520 C[C@@H]1CCCC[C@]1(N)C(=O)O CNP0518909.1 [0,1,0,1,0,0|0,0,2]=4 549 B11R1.520 C[C@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.2 [0,1,0,1,0,0|0,0,2]=4 550 B11R1.520 C[C@H]1CCCC[C@]1(N)C(=O)O CNP0518909.3 [0,1,0,1,0,0|0,0,2]=4 551 B11R1.737 NC1(CCCCCC1)C(=O)O CNP0306705.0 [0,1,0,1,0,0|0,0,2]=4 552 B11R1.182 C/C=C/[C@@H]1OC(=O)C=C[C@@H]1O CNP0193471.1 [0,1,0,1,0,0|0,0,2]=4 553 B11R1.182 C/C=C/[C@H]1OC(=O)C=C[C@@H]1O CNP0193471.2 [0,1,0,1,0,0|0,0,2]=4 554 B11R1.922 CC(=O)/C=C/[C@@H]1CCC1(C)C CNP0308981.1 [0,1,0,1,0,0|1,0,0]=3 555 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|1,0,0]=3 556 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|0,0,2]=4 557 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CNP0211377.3 [0,0,0,2,0,0|0,0,2]=4 558 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.1 [0,0,0,2,0,0|0,0,2]=4 559 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.2 [0,0,0,2,0,0|0,0,2]=4