0 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [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|2,0,2]=4 5 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.2 CCCC#CC#CC(=O)C CNP0119755.0 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,0,0,0,0,0|0,0,2]=2 10 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,0,0,0,0,0|0,0,2]=2 12 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,0,0,0,0|1,0,1]=2 13 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,0,0,0,0|1,0,0]=1 15 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,0,0,0,0|2,0,0]=2 17 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,0,0,0,0|2,0,0]=2 20 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,0,0,0,0|2,0,0]=2 22 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,0,0,0,0,0|2,0,1]=3 25 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,0,0,0,0,0|3,0,0]=3 28 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,0,0,0,0|0,0,0]=0 30 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.2 CSCCCCNC(=N)S CNP0609247.0 [0,0,0,0,0,0|3,1,0]=4 33 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,0,0,0,0,0|3,1,0]=4 34 B9R0.2 N=C(N)NCCCCCN CNP0326805.0 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,0,0,0,0,0|1,0,2]=4 38 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,0,0,0,0|1,0,1]=3 39 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.4 CC=CC#CCCCC CNP0343796.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.4 CC=CSSCCCC CNP0612155.0 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.4 CCCC=CCOC=O CNP0131807.0 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,0,0,0,0,0|0,0,2]=3 53 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,0,0,0,0|1,0,1]=3 54 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|1,0,0]=2 58 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.4 CCCCCCN=C=S CNP0253332.0 [1,0,0,0,0,0|1,1,1]=4 65 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|0,0,0]=1 66 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|0,0,1]=2 67 B8R0.4 CCCCCCSSC CNP0510251.0 [1,0,0,0,0,0|1,1,0]=3 68 B8R0.4 CCCCNCCCC CNP0203128.0 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.4 CCCCOCCCC CNP0077266.0 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.4 CCCCSCCCC CNP0370059.0 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.4 CCNCCCNCC CNP0239670.0 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.4 CCOCCOCCO CNP0079970.0 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,0,0,0,0|0,0,2]=3 74 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,0,0,0,0|0,0,2]=3 75 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,0,0,0,0,0|0,0,2]=3 76 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.7 CC(C)OCCCCO CNP0461229.0 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,0,0,0,0|0,0,2]=3 81 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,0,0,0,0|1,0,2]=4 82 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|0,0,2]=3 83 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,0,0,0,0|1,0,2]=4 85 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,0,0,0,0|0,0,2]=3 86 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,0,0,0,0|1,0,2]=4 87 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,0,0,0,0|1,0,1]=3 88 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,0,0,0,0|0,0,2]=3 89 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|0,0,0]=1 90 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|1,0,0]=2 91 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|1,0,0]=2 92 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|1,0,0]=2 93 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,0,0,0,0,0|1,0,1]=3 94 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,0,0,0,0,0|1,0,1]=3 95 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,0,0,0,0|0,0,2]=3 96 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,0,0,0,0,0|1,0,1]=3 97 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,0,0,0,0|0,0,2]=3 98 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,0,0,0,0|2,0,0]=3 99 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|0,0,0]=1 101 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,0,0,0,0,0|1,0,2]=4 103 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|1,0,0]=2 104 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,0,0,0,0|1,0,0]=2 105 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,0,0,0,0|1,0,0]=2 106 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,0,0,0,0|2,0,0]=3 107 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,0,0,0,0|2,0,0]=3 109 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,0,0,0,0|2,0,1]=4 110 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [0,1,0,0,0,0|3,0,0]=4 111 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [0,1,0,0,0,0|3,0,0]=4 112 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [0,1,0,0,0,0|3,0,0]=4 113 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [0,1,0,0,0,0|3,0,0]=4 114 B10R0.3 CC(=CCC[C@@H](C)CCO)C CNP0152105.1 [0,1,0,0,0,0|3,0,0]=4 115 B10R0.3 CC(=CCC[C@H](C)CCO)C CNP0152105.2 [0,1,0,0,0,0|3,0,0]=4 116 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,0,0,0,0|0,0,0]=1 119 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,1,0,0,0,0|2,0,0]=3 120 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|2,0,1]=4 121 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,1,0,0,0,0|1,0,1]=3 123 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|1,0,0]=2 125 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,1,0,0,0,0|2,0,1]=4 126 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,0,0,0,0|1,0,1]=3 128 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,1,0,0,0,0|0,0,1]=2 129 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,1,0,0,0,0|0,0,1]=2 130 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,1,0,0,0,0|0,0,1]=2 134 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [0,1,0,0,0,0|1,0,2]=4 135 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|1,0,0]=2 136 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,0,0,0,0|2,0,0]=3 137 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,0,0,0,0|2,0,0]=3 138 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,0,0,0,0|2,0,0]=3 139 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,1,0,0,0,0|1,0,2]=4 140 B10R0.4 CCCCCCC=NN(C)C CNP0085650.0 [0,1,0,0,0,0|3,0,0]=4 141 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|1,0,0]=2 142 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,0,0,0,0|2,0,0]=3 145 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,1,0,0,0,0|1,0,2]=4 148 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,1,0,0,0,0|2,0,1]=4 149 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,1,0,0,0,0|2,0,1]=4 150 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|0,0,0]=1 151 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,0,0,0,0|0,0,0]=1 152 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [0,1,0,0,0,0|0,0,2]=3 153 B10R0.4 CSCCCCCNC(=N)S CNP0609535.0 [0,1,0,0,0,0|2,1,0]=4 154 B10R0.4 CSCCCCCNC(=S)N CNP0380600.0 [0,1,0,0,0,0|2,1,0]=4 155 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [0,1,0,0,0,0|2,0,1]=4 156 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,0,0,0,0|2,0,0]=3 157 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,0,0,0,0|3,0,0]=4 158 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,0,0,0,0|3,0,0]=4 159 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,0,0,0,0|2,0,0]=3 160 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,0,0,0,0|2,0,0]=3 161 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,1,0,0,0,0|2,0,1]=4 162 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,0,0,0,0|2,0,1]=4 163 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,1,0,0,0,0|1,0,2]=4 164 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,0,0,0,0|2,0,0]=3 165 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,0,0,0,0|2,0,0]=3 166 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,0|0,0,0]=1 167 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,0,0,0,0|2,0,0]=3 168 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,1,0,0,0,0|2,0,1]=4 169 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,1,0,0,0,0|2,0,0]=3 171 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,1,0,0,0,0|2,0,0]=3 172 B10R0.22 C[Si](C)(C)OCCCCCN CNP0548482.0 [0,1,0,0,0,0|2,1,0]=4 173 B10R0.55 C=CC(=O)CCCOC(=O)C CNP0357217.0 [0,1,0,0,0,0|0,0,3]=4 174 B10R0.55 CC(=O)OCCCC(=O)CO CNP0357573.0 [0,1,0,0,0,0|1,0,1]=3 175 B10R0.55 CCC(=O)CCC=CC(=O)C CNP0534993.0 [0,1,0,0,0,0|1,0,2]=4 176 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,1,0,0,0,0|1,0,2]=4 177 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,0,0,0,0|2,0,0]=3 178 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,1,0,0,0,0|2,0,1]=4 179 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,0,0,0,0|1,0,1]=3 180 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,0,0,0,0|1,0,2]=4 181 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,1,0,0,0,0|0,0,2]=3 182 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,1,0,0,0,0|1,0,2]=4 183 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,1,0,0,0,0|0,0,2]=3 184 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,1,0,0,0,0|1,0,1]=3 185 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,0,0,0,0|1,0,1]=3 186 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,0,0,0,0|1,0,1]=3 187 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|1,0,0]=2 188 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|1,0,0]=2 189 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,0,0,0,0|2,0,0]=3 190 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|1,0,0]=2 191 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,1,0,0,0,0|1,0,2]=4 192 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,1,0,0,0,0|2,0,1]=4 193 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,1,0,0,0,0|2,0,1]=4 194 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,1,0,0,0,0|1,0,2]=4 195 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,1,0,0,0,0|2,0,1]=4 196 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,1,0,0,0,0|1,0,2]=4 197 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|0,0,0]=1 198 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,0,0,0,0|2,0,0]=3 199 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,0,0,0,0|2,0,0]=3 200 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,0,0,0,0|2,0,0]=3 201 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,0,0,0,0|2,0,0]=3 202 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,0,0,0,0|2,0,0]=3 203 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,0,0,0,0|2,0,0]=3 204 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,0,0,0,0|3,0,0]=4 205 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,0,0,0,0|3,0,0]=4 206 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,1,0,0,0,0|3,0,0]=4 207 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,0,0,0,0|3,0,0]=4 208 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,0,0,0,0|3,0,0]=4 209 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,1,0,0,0,0|1,0,2]=4 210 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [0,1,0,0,0,0|2,0,1]=4 211 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,1,0,0,0,0|2,0,0]=3 212 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [0,1,0,0,0,0|2,0,1]=4 213 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,1,0,0,0,0|2,0,1]=4 214 B10R0.78 COCC=C(C)COC(=O)C CNP0326991.0 [0,1,0,0,0,0|1,0,2]=4 215 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,0,0,0,0|1,0,0]=2 216 B10R0.97 CC(=O)CCSCCC(=O)C CNP0272000.0 [0,1,0,0,0,0|2,0,1]=4 217 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,1,0,0,0,0|2,0,1]=4 218 B10R0.97 CC(=O)OCCCOC(=O)C CNP0501708.0 [0,1,0,0,0,0|1,0,1]=3 219 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,1,0,0,0,0|2,0,0]=3 220 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,1,0,0,0,0|1,0,2]=4 221 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,1,0,0,0,0|2,0,1]=4 222 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,0,0,1,0,0|0,0,2]=3 224 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,1,0,0|2,0,0]=3 225 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,0,0,1,0,0|2,0,1]=4 226 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,0,0,1,0,0|2,0,1]=4 227 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,0,0,1,0,0|2,0,1]=4 228 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,0,0,1,0,0|0,1,1]=3 229 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,0,0,1,0,0|2,0,1]=4 230 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,0,0,1,0,0|2,0,1]=4 231 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,0,0,1,0,0|2,0,1]=4 232 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,0,0,1,0,0|0,1,1]=3 233 B10R1.16 CCCCC1=COC(=N1)C CNP0415020.0 [0,0,0,1,0,0|1,0,2]=4 234 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,1,0,0|0,0,0]=1 235 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,1,0,0|2,0,0]=3 236 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,1,0,0|2,0,0]=3 237 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,0,0,1,0,0|2,0,1]=4 238 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,0,0,1,0,0|3,0,0]=4 239 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,1,0,0|2,0,0]=3 240 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,1,0,0|2,0,0]=3 241 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,0|0,0,0]=1 242 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [0,0,0,1,0,0|2,0,1]=4 243 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,0,0,1,0,0|3,0,0]=4 244 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,0,0,1,0,0|3,0,0]=4 245 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,0,1,0,0|2,0,0]=3 246 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,0,1,0,0|3,0,0]=4 247 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,0,0,1,0,0|3,0,0]=4 248 B10R1.39 CC(=O)C1CCCC1C#N CNP0001282.0 [0,0,0,1,0,0|2,0,1]=4 249 B10R1.39 CC(=O)[C@H]1COC[C@@H]1CO CNP0311924.1 [0,0,0,1,0,0|3,0,0]=4 250 B10R1.39 CO[C@H]1CCCN1C(=O)N CNP0298876.1 [0,0,0,1,0,0|3,0,0]=4 251 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,0,0,1,0,0|2,0,0]=3 252 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,0,1,0,0|3,0,0]=4 253 B10R1.64 CC(=O)C=C1CCCN1C CNP0145277.0 [0,0,0,1,0,0|2,0,1]=4 254 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,0,0,1,0,0|2,0,0]=3 255 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,0,0,1,0,0|2,0,0]=3 256 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,0,0,1,0,0|3,0,0]=4 257 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,0,0,1,0,0|1,0,0]=2 258 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,0,0,1,0,0|1,0,0]=2 259 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,0,0,1,0,0|3,0,0]=4 260 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|1,0,2]=4 261 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|1,0,0]=2 262 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,0,1,0,0|2,0,0]=3 263 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,0,1,0,0|2,0,0]=3 264 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,0,1,0,0|2,0,0]=3 265 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,1,0,0|3,0,0]=4 266 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,1,0,0|3,0,0]=4 267 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|0,0,1]=3 268 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|1,0,1]=4 269 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|0,0,1]=3 270 B7R0.1 CC=CCSCCC CNP0536250.0 [2,0,0,0,0,0|1,0,1]=4 271 B7R0.1 CCC=CCCC=O CNP0265888.0 [2,0,0,0,0,0|0,0,2]=4 272 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|0,0,2]=4 273 B7R0.1 CCCCC=CC=O CNP0210810.0 [2,0,0,0,0,0|0,0,2]=4 274 B7R0.1 CCCCCCC#N CNP0186663.0 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,0]=2 276 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,1]=3 277 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,1]=4 278 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|0,0,2]=4 279 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|1,0,0]=3 280 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|0,0,0]=2 281 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|0,0,1]=3 282 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|1,0,0]=3 283 B7R0.1 CCCCCSSC CNP0201479.0 [2,0,0,0,0,0|1,1,0]=4 284 B7R0.1 CNCCCCCN CNP0390055.0 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.1 CNCCCCNC CNP0145070.0 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.1 COCCOCCO CNP0610336.0 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|0,0,2]=4 288 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [2,0,0,0,0,0|1,0,1]=4 289 B7R0.4 CC(=O)OCCCS CNP0325111.0 [2,0,0,0,0,0|1,0,0]=3 290 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,2]=4 291 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|0,0,2]=4 292 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,0]=2 293 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,0]=3 294 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|1,0,0]=3 295 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|1,0,1]=4 296 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|1,0,1]=4 297 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|1,0,0]=3 298 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,1]=4 299 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|0,0,2]=4 300 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|0,1,1]=4 301 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,1]=4 302 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|0,0,2]=4 303 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|0,1,1]=4 304 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|0,0,0]=2 305 B7R0.4 CCCSOC(=O)C CNP0411356.0 [2,0,0,0,0,0|1,0,0]=3 306 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,0]=3 307 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|1,0,0]=3 310 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|1,0,0]=3 311 B7R0.4 NCCCCC(=O)N CNP0001733.0 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|2,0,0]=4 314 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [1,1,0,0,0,0|1,0,1]=4 315 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [1,1,0,0,0,0|0,0,2]=4 316 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,1,0,0,0,0|1,0,1]=4 317 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,1,0,0,0,0|1,0,1]=4 318 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|1,0,1]=4 319 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|0,0,2]=4 320 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|1,0,0]=3 321 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|1,0,0]=3 322 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [1,1,0,0,0,0|1,0,0]=3 324 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [1,1,0,0,0,0|2,0,0]=4 325 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [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|1,0,1]=4 327 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,1,0,0,0,0|1,0,1]=4 328 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.45 C=CCCCCCCCO CNP0326407.0 [1,1,0,0,0,0|1,0,1]=4 331 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,1,0,0,0,0|1,0,1]=4 332 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,1,0,0,0,0|1,0,1]=4 333 B9R0.45 CC=CCSSCCCC CNP0548815.0 [1,1,0,0,0,0|2,0,0]=4 334 B9R0.45 CCC#CCCCCCC CNP0606734.0 [1,1,0,0,0,0|1,0,1]=4 335 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,1,0,0,0,0|1,0,1]=4 336 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,1,0,0,0,0|1,0,0]=3 337 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,1,0,0,0,0|2,0,0]=4 338 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,1,0,0,0,0|1,0,1]=4 339 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,1,0,0,0,0|1,0,1]=4 340 B9R0.45 CCCCCCC#CCO CNP0485953.0 [1,1,0,0,0,0|1,0,1]=4 341 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,1,0,0,0,0|1,0,0]=3 342 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,1,0,0,0,0|1,0,0]=3 343 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,1,0,0,0,0|1,0,0]=3 344 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,1,0,0,0,0|1,0,1]=4 345 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,1,0,0,0,0|1,0,1]=4 346 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,1,0,0,0,0|1,0,0]=3 347 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,1,0,0,0,0|1,0,1]=4 348 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,1,0,0,0,0|1,0,1]=4 349 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,1,0,0,0,0|1,0,1]=4 350 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,1,0,0,0,0|1,0,1]=4 351 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,1,0,0,0,0|1,0,0]=3 352 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,1,0,0,0,0|0,0,0]=2 353 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,1,0,0,0,0|0,0,1]=3 354 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,1,0,0,0,0|0,0,1]=3 355 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,1,0,0,0,0|1,0,1]=4 356 B9R0.45 CCOCCOCCOC CNP0567615.0 [1,1,0,0,0,0|1,0,1]=4 357 B9R0.45 NCCCNCCCC=O CNP0100864.0 [1,1,0,0,0,0|2,0,0]=4 358 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,1,0,0,0,0|1,0,1]=4 359 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,1,0,0,0,0|1,0,1]=4 360 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,1,0,0,0,0|1,0,1]=4 361 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [1,1,0,0,0,0|1,0,1]=4 362 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,1,0,0,0,0|1,0,1]=4 363 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,1,0,0,0,0|2,0,0]=4 364 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|1,0,0]=3 365 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|1,0,1]=4 366 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,1,0,0,0,0|1,0,1]=4 367 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,1,0,0,0,0|2,0,0]=4 368 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,1,0,0,0,0|1,0,1]=4 369 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [1,1,0,0,0,0|2,0,0]=4 370 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [1,1,0,0,0,0|1,0,0]=3 371 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [1,1,0,0,0,0|0,0,2]=4 372 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [1,1,0,0,0,0|1,0,0]=3 373 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,1,0,0,0,0|1,0,1]=4 374 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [1,1,0,0,0,0|1,0,1]=4 375 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|0,0,1]=3 376 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,1,0,0,0,0|1,0,0]=3 377 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [1,1,0,0,0,0|1,0,1]=4 378 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,1,0,0,0,0|0,0,0]=2 379 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,1,0,0,0,0|1,0,0]=3 380 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [1,1,0,0,0,0|1,0,1]=4 381 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [1,1,0,0,0,0|2,0,0]=4 382 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [1,1,0,0,0,0|2,0,0]=4 383 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [1,1,0,0,0,0|2,0,0]=4 384 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [1,1,0,0,0,0|2,0,0]=4 385 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,1,0,0,0,0|0,0,1]=3 386 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|0,0,1]=3 387 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [1,1,0,0,0,0|0,0,2]=4 388 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,1,0,0,0,0|1,0,0]=3 389 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [1,1,0,0,0,0|1,0,0]=3 390 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|0,0,0]=2 391 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [1,1,0,0,0,0|1,0,0]=3 392 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [1,1,0,0,0,0|1,0,0]=3 393 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [1,1,0,0,0,0|1,0,0]=3 394 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [1,1,0,0,0,0|0,0,2]=4 395 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [1,1,0,0,0,0|0,0,2]=4 396 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [1,1,0,0,0,0|2,0,0]=4 397 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [1,1,0,0,0,0|2,0,0]=4 398 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [1,1,0,0,0,0|2,0,0]=4 399 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [1,1,0,0,0,0|2,0,0]=4 401 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [1,1,0,0,0,0|2,0,0]=4 402 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [1,1,0,0,0,0|2,0,0]=4 403 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [1,1,0,0,0,0|2,0,0]=4 404 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [1,1,0,0,0,0|2,0,0]=4 405 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [1,1,0,0,0,0|2,0,0]=4 406 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [1,1,0,0,0,0|2,0,0]=4 407 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [1,1,0,0,0,0|2,0,0]=4 408 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [1,1,0,0,0,0|2,0,0]=4 409 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [1,1,0,0,0,0|2,0,0]=4 410 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [1,1,0,0,0,0|2,0,0]=4 411 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|0,0,1]=3 412 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [1,1,0,0,0,0|0,0,1]=3 413 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,1,0,0,0,0|0,0,0]=2 414 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [1,1,0,0,0,0|1,0,1]=4 415 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [1,1,0,0,0,0|1,0,0]=3 416 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [1,1,0,0,0,0|1,0,0]=3 417 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [1,1,0,0,0,0|1,0,0]=3 418 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [1,1,0,0,0,0|1,0,0]=3 419 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|1,0,1]=4 420 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [1,1,0,0,0,0|0,0,2]=4 421 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [1,1,0,0,0,0|1,0,1]=4 422 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|0,0,0]=2 423 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [1,1,0,0,0,0|1,0,1]=4 424 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [1,1,0,0,0,0|0,0,2]=4 425 B9R0.55 CC(=O)OCCC[N+](=O)[O-] CNP0400993.0 [1,1,0,0,0,0|2,0,0]=4 426 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [1,1,0,0,0,0|1,0,0]=3 427 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [1,1,0,0,0,0|1,0,0]=3 428 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [1,1,0,0,0,0|1,0,1]=4 429 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [1,1,0,0,0,0|0,0,2]=4 430 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [1,1,0,0,0,0|2,0,0]=4 431 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [1,1,0,0,0,0|2,0,0]=4 432 B11R0.1 C=C(C)CC(C)CC(C)CCC CNP0549740.0 [0,2,0,0,0,0|2,0,0]=4 433 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O CNP0510136.1 [0,2,0,0,0,0|2,0,0]=4 434 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [0,2,0,0,0,0|0,0,0]=2 435 B11R0.6 CC(=O)OCC[C@H](C)OC(=O)C CNP0076814.1 [0,2,0,0,0,0|1,0,1]=4 436 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C CNP0306070.1 [0,2,0,0,0,0|0,0,2]=4 437 B11R0.6 CC(=O)O[C@H](C)CCC=C(C)C CNP0306070.2 [0,2,0,0,0,0|0,0,2]=4 438 B11R0.45 CCCC(CCOC(=O)C)SC CNP0003227.0 [0,2,0,0,0,0|0,0,0]=2 439 B11R0.59 CCCC(C)C(C)CCC(=O)O CNP0340761.0 [0,2,0,0,0,0|2,0,0]=4 440 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,2,0,0,0,0|0,0,0]=2 441 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,2,0,0,0,0|2,0,0]=4 442 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [0,2,0,0,0,0|0,0,1]=3 443 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,2,0,0,0,0|2,0,0]=4 444 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [0,2,0,0,0,0|2,0,0]=4 445 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,2,0,0,0,0|2,0,0]=4 446 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,2,0,0,0,0|0,0,0]=2 447 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,2,0,0,0,0|2,0,0]=4 448 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,2,0,0,0,0|1,0,0]=3 449 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [0,2,0,0,0,0|1,0,1]=4 450 B11R0.30 CC(=O)NCCCCNC(=O)C CNP0303260.0 [0,2,0,0,0,0|1,0,1]=4 451 B11R0.30 CC(=O)OCCCCOC(=O)C CNP0503986.0 [0,2,0,0,0,0|0,0,1]=3 452 B11R0.30 CC(=O)OCCCCSC(=N)N CNP0478384.0 [0,2,0,0,0,0|1,0,1]=4 453 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,2,0,0,0,0|2,0,0]=4 454 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [0,2,0,0,0,0|2,0,0]=4 455 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,2,0,0,0,0|2,0,0]=4 456 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,2,0,0,0,0|1,0,1]=4 457 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,2,0,0,0,0|1,0,1]=4 458 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,2,0,0,0,0|2,0,0]=4 459 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,2,0,0,0,0|1,0,1]=4 460 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,2,0,0,0,0|1,0,1]=4 461 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,2,0,0,0,0|1,0,1]=4 462 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,2,0,0,0,0|1,0,1]=4 463 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,2,0,0,0,0|1,0,1]=4 464 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,2,0,0,0,0|1,0,0]=3 465 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,2,0,0,0,0|1,0,0]=3 466 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,2,0,0,0,0|1,0,0]=3 467 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,2,0,0,0,0|1,0,0]=3 468 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,2,0,0,0,0|0,0,0]=2 469 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,2,0,0,0,0|1,0,0]=3 470 B11R0.42 CCC=CCCOC(=O)C(=O)C CNP0380462.0 [0,2,0,0,0,0|0,0,2]=4 471 B11R0.42 CCC=CCCOC(=O)C(C)C CNP0128799.0 [0,2,0,0,0,0|0,0,2]=4 472 B11R0.42 CCC=CCCOC(=O)C(C)O CNP0342153.0 [0,2,0,0,0,0|0,0,2]=4 473 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,2,0,0,0,0|1,0,0]=3 474 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,2,0,0,0,0|1,0,0]=3 475 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,2,0,0,0,0|2,0,0]=4 476 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,2,0,0,0,0|1,0,1]=4 477 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,2,0,0,0,0|2,0,0]=4 478 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,2,0,0,0,0|2,0,0]=4 479 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,2,0,0,0,0|0,0,0]=2 480 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,2,0,0,0,0|2,0,0]=4 481 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,2,0,0,0,0|2,0,0]=4 482 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,2,0,0,0,0|2,0,0]=4 483 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|1,0,0]=3 484 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,2,0,0,0,0|2,0,0]=4 485 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,2,0,0,0,0|2,0,0]=4 486 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,2,0,0,0,0|2,0,0]=4 487 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,2,0,0,0,0|2,0,0]=4 488 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,2,0,0,0,0|2,0,0]=4 489 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,2,0,0,0,0|2,0,0]=4 490 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,2,0,0,0,0|2,0,0]=4 491 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,2,0,0,0,0|1,0,1]=4 492 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [0,2,0,0,0,0|1,0,0]=3 493 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,2,0,0,0,0|2,0,0]=4 494 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [0,2,0,0,0,0|2,0,0]=4 495 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,2,0,0,0,0|2,0,0]=4 496 B11R0.148 C=CCCCC=CCOC(=O)C CNP0076931.0 [0,2,0,0,0,0|0,0,2]=4 497 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,2,0,0,0,0|1,0,0]=3 498 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,2,0,0,0,0|2,0,0]=4 499 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,2,0,0,0,0|2,0,0]=4 500 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [0,2,0,0,0,0|0,0,2]=4 501 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|2,0,0]=4 502 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,2,0,0,0,0|0,0,0]=2 503 B11R0.148 CCCC=CC=CCOC(=O)C CNP0312132.0 [0,2,0,0,0,0|0,0,2]=4 504 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|1,0,0]=3 505 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,2,0,0,0,0|2,0,0]=4 506 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,2,0,0,0,0|2,0,0]=4 507 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,2,0,0,0,0|0,0,0]=2 508 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,2,0,0,0,0|1,0,0]=3 509 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,2,0,0,0,0|2,0,0]=4 510 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,2,0,0,0,0|0,0,0]=2 511 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,2,0,0,0,0|2,0,0]=4 512 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,2,0,0,0,0|0,0,0]=2 513 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,2,0,0,0,0|1,0,0]=3 514 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,2,0,0,0,0|2,0,0]=4 515 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,2,0,0,0,0|2,0,0]=4 516 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,2,0,0,0,0|2,0,0]=4 517 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,2,0,0,0,0|1,0,0]=3 518 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,2,0,0,0,0|2,0,0]=4 519 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,2,0,0,0,0|2,0,0]=4 520 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,2,0,0,0,0|2,0,0]=4 521 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,2,0,0,0,0|2,0,0]=4 522 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,2,0,0,0,0|2,0,0]=4 523 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,2,0,0,0,0|2,0,0]=4 524 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,2,0,0,0,0|2,0,0]=4 525 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,2,0,0,0,0|2,0,0]=4 526 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,2,0,0,0,0|2,0,0]=4 527 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,2,0,0,0,0|0,0,0]=2 528 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,2,0,0,0,0|0,0,0]=2 529 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,2,0,0,0,0|0,1,0]=3 530 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,2,0,0,0,0|0,0,0]=2 531 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,2,0,0,0,0|2,0,0]=4 532 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,2,0,0,0,0|2,0,0]=4 533 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,2,0,0,0,0|2,0,0]=4 534 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,2,0,0,0,0|2,0,0]=4 535 B11R0.159 C[Si](C)(C)OCCCCCCN CNP0520501.0 [0,2,0,0,0,0|1,1,0]=4 536 B11R0.176 CC(=O)OCCCC(=O)CCO CNP0357221.0 [0,2,0,0,0,0|0,0,1]=3 537 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [0,2,0,0,0,0|2,0,0]=4 538 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,2,0,0,0,0|0,1,1]=4 539 B11R0.176 NC(=O)CCCC[C@@H](S)CCS CNP0083595.1 [0,2,0,0,0,0|2,0,0]=4 540 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [0,2,0,0,0,0|2,0,0]=4 541 B11R0.68 CCCC[C@H](O)[C@@H](C)CC(=O)O CNP0548280.1 [0,2,0,0,0,0|2,0,0]=4 542 B11R0.77 C=CC(CCCCC)CC(=O)O CNP0535039.0 [0,2,0,0,0,0|2,0,0]=4 543 B11R0.77 C=CCCC[C@@H](C=C)OC(=O)C CNP0325653.1 [0,2,0,0,0,0|0,0,2]=4 544 B11R0.77 C=C[C@@H](CCCCC)OC(=O)C CNP0392840.2 [0,2,0,0,0,0|0,0,0]=2 545 B11R0.77 C=C[C@H](CCCCC)OC(=O)C CNP0392840.1 [0,2,0,0,0,0|0,0,0]=2 546 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,2,0,0,0,0|0,0,0]=2 547 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,2,0,0,0,0|0,0,0]=2 548 B11R0.139 CCCCCC(=O)C(C)C(=O)C CNP0003046.0 [0,2,0,0,0,0|1,0,1]=4 549 B11R0.139 CCCCCC(O)C(O)C(=O)O CNP0086711.0 [0,2,0,0,0,0|2,0,0]=4 550 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [0,2,0,0,0,0|1,0,0]=3 551 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [0,2,0,0,0,0|1,0,0]=3 552 B11R0.29 CC(C)CCCC[C@H](N)C(=O)O CNP0257008.1 [0,2,0,0,0,0|2,0,0]=4 553 B11R0.29 C[C@H](O)CCCC[C@H](N)C(=O)O CNP0300370.1 [0,2,0,0,0,0|2,0,0]=4 554 B11R0.93 CC[C@H](C)C[C@H](C)CCC(=O)O CNP0332942.1 [0,2,0,0,0,0|2,0,0]=4 555 B11R0.93 COC(=O)C[C@@H](O)COC(=O)C CNP0042929.1 [0,2,0,0,0,0|1,0,1]=4 556 B11R0.93 COC(=O)C[C@H](O)COC(=O)C CNP0042929.2 [0,2,0,0,0,0|1,0,1]=4 557 B11R0.109 CC[C@H](C)CCC[C@@H](C)C(=O)O CNP0357116.1 [0,2,0,0,0,0|2,0,0]=4 558 B11R0.4 CC=CC(=O)OCCC=CCC CNP0265278.0 [0,2,0,0,0,0|0,0,2]=4 559 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,2,0,0,0,0|0,0,0]=2 560 B11R0.4 CC=CCCCOC(=O)CCC CNP0508923.0 [0,2,0,0,0,0|0,0,2]=4 561 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,2,0,0,0,0|0,0,2]=4 562 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,2,0,0,0,0|0,0,2]=4 563 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,2,0,0,0,0|1,0,1]=4 564 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,2,0,0,0,0|1,0,1]=4 565 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,2,0,0,0,0|1,0,1]=4 566 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,2,0,0,0,0|1,0,0]=3 567 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|1,0,0]=3 568 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,2,0,0,0,0|0,0,0]=2 569 B11R0.4 CCCCCCO[C@H](C)OCC CNP0259643.1 [0,2,0,0,0,0|0,0,2]=4 570 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [0,2,0,0,0,0|1,0,1]=4 571 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [0,2,0,0,0,0|1,0,0]=3 572 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [0,2,0,0,0,0|0,0,0]=2 573 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [0,2,0,0,0,0|1,0,0]=3 574 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [0,2,0,0,0,0|1,0,0]=3 575 B11R0.76 CCCCCCC(CC)C(=O)C CNP0533246.0 [0,2,0,0,0,0|1,0,0]=3 576 B11R0.85 CC(C)CC[C@@H](N)CCC(=O)O CNP0367952.2 [0,2,0,0,0,0|2,0,0]=4 577 B11R0.85 CC(C)CC[C@H](N)CCC(=O)O CNP0367952.1 [0,2,0,0,0,0|2,0,0]=4 578 B11R0.85 C[C@@H](O)CC[C@H](O)CCC(=O)O CNP0319928.1 [0,2,0,0,0,0|2,0,0]=4 579 B11R0.164 CCCCC(CC)CCC(=O)O CNP0002943.0 [0,2,0,0,0,0|2,0,0]=4 580 B11R0.164 CCCC[C@H](CC)COC(=O)C CNP0084871.1 [0,2,0,0,0,0|0,0,0]=2 581 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|1,0,0]=3 582 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|0,0,0]=2 583 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,0,0,1,0,0|2,0,0]=4 584 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,1,0,0|1,0,1]=4 585 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,1,0,0|1,0,1]=4 586 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,0,0,1,0,0|1,0,0]=3 587 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,1,0,0|0,0,0]=2 588 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,0,0,1,0,0|0,1,1]=4 589 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [1,0,0,1,0,0|1,0,0]=3 590 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [1,0,0,1,0,0|1,0,1]=4 591 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [1,0,0,1,0,0|1,0,0]=3 592 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|1,0,0]=3 593 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [1,0,0,1,0,0|1,0,1]=4 594 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|2,0,0]=4 595 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|2,0,0]=4 596 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|1,0,1]=4 597 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [1,0,0,1,0,0|0,1,1]=4 598 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [1,0,0,1,0,0|1,0,1]=4 599 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|1,0,0]=3 600 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [1,0,0,1,0,0|1,0,1]=4 601 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [1,0,0,1,0,0|1,0,1]=4 602 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|1,0,0]=3 603 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [1,0,0,1,0,0|2,0,0]=4 604 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [1,0,0,1,0,0|1,0,1]=4 605 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [1,0,0,1,0,0|0,0,2]=4 606 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [1,0,0,1,0,0|1,0,1]=4 607 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|0,0,0]=2 608 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,1,0,0|1,0,0]=3 609 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [1,0,0,1,0,0|2,0,0]=4 610 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [1,0,0,1,0,0|1,0,1]=4 611 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [1,0,0,1,0,0|1,0,0]=3 612 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [1,0,0,1,0,0|2,0,0]=4 613 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [1,0,0,1,0,0|2,0,0]=4 614 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [1,0,0,1,0,0|1,0,0]=3 615 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,1,0,0|1,0,0]=3 616 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [1,0,0,1,0,0|2,0,0]=4 617 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [1,0,0,1,0,0|2,0,0]=4 618 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [1,0,0,1,0,0|2,0,0]=4 619 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [1,0,0,1,0,0|2,0,0]=4 620 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [1,0,0,1,0,0|2,0,0]=4 621 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [1,0,0,1,0,0|2,0,0]=4 622 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [1,0,0,1,0,0|0,0,2]=4 623 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,1,0,0|1,0,0]=3 624 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [1,0,0,1,0,0|1,0,1]=4 625 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [1,0,0,1,0,0|2,0,0]=4 626 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [1,0,0,1,0,0|2,0,0]=4 627 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [1,0,0,1,0,0|1,0,0]=3 628 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,1,0,0|1,0,0]=3 629 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,1,0,0|1,0,0]=3 630 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,1,0,0|1,0,0]=3 631 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,1,0,0|2,0,0]=4 632 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [1,0,0,1,0,0|2,0,0]=4 633 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [1,0,0,1,0,0|1,0,1]=4 634 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [1,0,0,1,0,0|0,0,2]=4 635 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [1,0,0,1,0,0|0,0,2]=4 636 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [1,0,0,1,0,0|0,0,2]=4 637 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [1,0,0,1,0,0|2,0,0]=4 638 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [1,0,0,1,0,0|2,0,0]=4 639 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,0,0,1,0,0|1,0,0]=3 640 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,0,0,1,0,0|1,0,0]=3 641 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [1,0,0,1,0,0|2,0,0]=4 642 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [1,0,0,1,0,0|2,0,0]=4 643 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|0,0,0]=2 644 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|1,0,0]=3 645 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [1,0,0,1,0,0|1,0,1]=4 646 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [1,0,0,1,0,0|1,0,0]=3 647 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [1,0,0,1,0,0|0,0,2]=4 648 B11R1.15 O=C1C[C@@H](CO1)C(=O)CCO CNP0159390.1 [0,1,0,1,0,0|1,0,1]=4 649 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](N1)C CNP0270441.4 [0,1,0,1,0,0|1,0,0]=3 650 B11R1.157 CC(=O)C[C@@H]1CCC[C@H](N1)C CNP0270441.3 [0,1,0,1,0,0|1,0,0]=3 651 B11R1.157 CC(=O)C[C@H]1CCCC(=N1)C CNP0260516.1 [0,1,0,1,0,0|1,0,1]=4 652 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](N1)C CNP0270441.2 [0,1,0,1,0,0|1,0,0]=3 653 B11R1.157 CC(=O)C[C@H]1CCC[C@H](N1)C CNP0270441.1 [0,1,0,1,0,0|1,0,0]=3 654 B11R1.157 CC(=O)C[C@H]1C[C@@H](CCO1)C CNP0268393.2 [0,1,0,1,0,0|2,0,0]=4 655 B11R1.157 CC(=O)C[C@H]1C[C@H](CCO1)C CNP0268393.1 [0,1,0,1,0,0|2,0,0]=4 656 B11R1.157 CC(=O)OC1CN(CCO1)C CNP0149033.0 [0,1,0,1,0,0|2,0,0]=4 657 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [0,1,0,1,0,0|0,0,0]=2 658 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [0,1,0,1,0,0|0,0,0]=2 659 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [0,1,0,1,0,0|0,0,0]=2 660 B11R1.157 CC(C)O[C@@H]1CCC[C@@H](C1)C CNP0180292.2 [0,1,0,1,0,0|1,0,1]=4 661 B11R1.157 CC(C)O[C@H]1CCC[C@@H](C1)C CNP0180292.1 [0,1,0,1,0,0|1,0,1]=4 662 B11R1.157 CC1=N[C@H](CCC1)C[C@@H](C)O CNP0113372.1 [0,1,0,1,0,0|2,0,0]=4 663 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,1,0,0|1,0,0]=3 664 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,1,0,1,0,0|2,0,0]=4 665 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|1,0,0]=3 666 B11R1.563 C[C@@H]1CCO[C@H](CC(=O)C1)O CNP0173979.1 [0,1,0,1,0,0|2,0,0]=4 667 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|1,0,0]=3 668 B11R1.1251 C/C=C/[C@@]1(CCOC(=O)C1)O CNP0458974.2 [0,1,0,1,0,0|0,0,2]=4 669 B11R1.1251 C/C=C/[C@]1(CCOC(=O)C1)O CNP0458974.1 [0,1,0,1,0,0|0,0,2]=4 670 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,1,0,0|2,0,0]=4 671 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,1,0,0|1,0,0]=3 672 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,1,0,1,0,0|0,0,2]=4 673 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,1,0,1,0,0|0,0,1]=3 674 B11R1.27 CCCCCC1=COC(=N1)C CNP0262620.0 [0,1,0,1,0,0|1,0,1]=4 675 B11R1.27 CCCCCC1=NC(=CO1)C CNP0193931.0 [0,1,0,1,0,0|1,0,1]=4 676 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [0,1,0,1,0,0|0,0,2]=4 677 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,1,0,1,0,0|0,0,1]=3 678 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|0,0,0]=2 679 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|0,0,0]=2 680 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,1,0,1,0,0|0,0,2]=4 681 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,1,0,1,0,0|1,0,0]=3 682 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,1,0,1,0,0|1,0,0]=3 683 B11R1.86 CC(=O)NC1=C(CCCC1)C CNP0186998.0 [0,1,0,1,0,0|1,0,1]=4 684 B11R1.86 CC(=O)O[C@@H]1CCCC=C1C CNP0153572.1 [0,1,0,1,0,0|0,0,1]=3 685 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,1,0,1,0,0|0,0,0]=2 686 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,1,0,1,0,0|2,0,0]=4 687 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,1]=3 688 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,1,0,1,0,0|2,0,0]=4 689 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,1,0,1,0,0|2,0,0]=4 690 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C CNP0362437.1 [0,1,0,1,0,0|1,0,1]=4 691 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,1,0,1,0,0|2,0,0]=4 692 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,1,0,1,0,0|2,0,0]=4 693 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,1,0,1,0,0|2,0,0]=4 694 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,1,0,1,0,0|2,0,0]=4 695 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [0,1,0,1,0,0|0,0,0]=2 696 B11R1.58 CC[C@@H]1CCCN1S(=O)(=O)C CNP0345232.1 [0,1,0,1,0,0|2,0,0]=4 697 B11R1.20 CC(=O)NC1CCC(=O)CC1 CNP0508651.0 [0,1,0,1,0,0|1,0,1]=4 698 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,1,0,1,0,0|0,0,0]=2 699 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,1,0,1,0,0|2,0,0]=4 700 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,1,0,1,0,0|2,0,0]=4 701 B11R1.159 C=C(C)C1CCCC(C1C)O CNP0518482.0 [0,1,0,1,0,0|2,0,0]=4 702 B11R1.313 C[C@H]1[C@@H](CC[C@@H]1C)CC(=O)O CNP0391795.1 [0,1,0,1,0,0|2,0,0]=4 703 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,1,0,1,0,0|1,0,0]=3 704 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,1,0,1,0,0|0,0,0]=2 705 B11R1.25 CCC(=O)OC[C@@H]1CCCO1 CNP0217025.1 [0,1,0,1,0,0|1,0,0]=3 706 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [0,1,0,1,0,0|2,0,0]=4 707 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,1,0,1,0,0|0,0,0]=2 708 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,1,0,1,0,0|1,0,0]=3 709 B11R1.228 COC(=O)C[C@@H]1CCCN1C CNP0238623.1 [0,1,0,1,0,0|2,0,0]=4 710 B11R1.35 N[C@H](CC1CCCC1)C(=O)O CNP0066983.1 [0,1,0,1,0,0|2,0,0]=4 711 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 CNP0535459.2 [0,1,0,1,0,0|2,0,0]=4 712 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 CNP0535459.1 [0,1,0,1,0,0|2,0,0]=4 713 B11R1.520 C[C@@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.4 [0,1,0,1,0,0|2,0,0]=4 714 B11R1.520 C[C@@H]1CCCC[C@]1(N)C(=O)O CNP0518909.1 [0,1,0,1,0,0|2,0,0]=4 715 B11R1.520 C[C@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.2 [0,1,0,1,0,0|2,0,0]=4 716 B11R1.520 C[C@H]1CCCC[C@]1(N)C(=O)O CNP0518909.3 [0,1,0,1,0,0|2,0,0]=4 717 B11R1.737 NC1(CCCCCC1)C(=O)O CNP0306705.0 [0,1,0,1,0,0|2,0,0]=4 718 B11R1.177 CC(=O)C1CCCCC1(C)C CNP0573229.0 [0,1,0,1,0,0|1,0,0]=3 719 B11R1.922 CC(=O)/C=C/[C@@H]1CCC1(C)C CNP0308981.1 [0,1,0,1,0,0|1,0,1]=4 720 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,2,0,0|1,0,1]=4 721 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|1,0,1]=4 722 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,2,0,0|2,0,0]=4 723 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,2,0,0|2,0,0]=4 724 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|0,0,0]=2 725 B11R2.748 O=C1CCC2(C1)CCCC2 CNP0107580.0 [0,0,0,2,0,0|1,0,0]=3 726 B11R2.1852 CC(=C1C2C1CCCC2)C CNP0612230.0 [0,0,0,2,0,0|2,0,0]=4 727 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CNP0211377.3 [0,0,0,2,0,0|2,0,0]=4 728 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.1 [0,0,0,2,0,0|2,0,0]=4 729 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.2 [0,0,0,2,0,0|2,0,0]=4 730 B11R2.1854 CC(=C1[C@@H]2[C@]1(CCC2)C)C CNP0076624.1 [0,0,0,2,0,0|2,0,0]=4 731 B11R2.432 CN1[C@@H]2CC[C@@H]1CC(=O)C2 CNP0203544.3 [0,0,0,2,0,0|2,0,0]=4 732 B11R2.432 CN1[C@@H]2CC[C@H]1CC(=O)C2 CNP0203544.2 [0,0,0,2,0,0|2,0,0]=4 733 B11R2.432 CN1[C@H]2CC[C@H]1CC(=O)C2 CNP0203544.4 [0,0,0,2,0,0|2,0,0]=4