0 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.6 C=CC(O)CCC=CC CNP0288913.0 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.6 C=CCCCC(=C)C=C CNP0546296.0 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,0,0,0,0,0|0,0,4]=4 7 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,0,0,0,0,0|0,0,4]=4 8 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,0,0,0,0,0|0,0,2]=2 10 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,0,0,0,0,0|0,0,4]=4 11 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,0,0,0,0,0|0,0,4]=4 12 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,0,0,0,0,0|1,0,3]=4 15 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,0,0,0,0,0|0,0,4]=4 16 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,0,0,0,0|0,0,2]=2 20 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,0,0,0,0,0|1,0,1]=2 21 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,0,0,0,0,0|1,0,1]=2 22 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,0,0,0,0,0|1,0,1]=2 23 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,0,0,0,0,0|1,1,2]=4 24 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,0,0,0,0,0|0,0,4]=4 25 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,0,0,0,0,0|1,0,3]=4 26 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,0,0,0,0,0|0,0,4]=4 27 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,0,0,0,0,0|1,0,3]=4 28 B8R0.6 CCCCNC(=N)NO CNP0535503.0 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,0,0,0,0,0|2,0,1]=3 33 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,0,0,0,0,0|0,0,3]=4 35 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,0,0,0,0|0,0,3]=4 36 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,0,0,0,0|0,0,3]=4 37 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,0,0,0,0,0|0,0,3]=4 38 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,0,0,0,0|0,0,1]=2 39 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,0,0,0,0,0|0,0,3]=4 40 B7R0.1 C=CCCCCC=C CNP0118215.0 [1,0,0,0,0,0|0,0,3]=4 41 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|0,0,1]=2 42 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.1 C=CCSSCCC CNP0170059.0 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,0,0,0,0|0,0,3]=4 45 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,0,0,0,0,0|0,0,3]=4 46 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|0,0,1]=2 47 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.1 CC=CSSCCC CNP0421889.0 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|0,0,3]=4 50 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|0,0,3]=4 56 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.1 CSCCCC=NO CNP0610383.0 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|0,0,0]=1 72 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,0,0,0,0,0|1,0,1]=3 74 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,0,0,0,0,0|0,0,2]=3 77 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|0,0,2]=3 79 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|0,0,1]=2 88 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,0,0,0,0|1,0,2]=4 92 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|0,0,3]=4 93 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|1,0,2]=4 94 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|0,0,3]=4 95 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|0,0,1]=2 97 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,0]=2 98 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|1,0,0]=2 99 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|1,0,1]=3 100 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|1,0,2]=4 101 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|1,0,0]=2 102 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|1,0,2]=4 103 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|0,0,3]=4 104 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|0,1,2]=4 105 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|1,0,2]=4 106 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|0,0,3]=4 107 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|0,1,2]=4 108 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,0,0,0,0,0|2,1,0]=4 109 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|1,0,1]=3 110 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|1,0,1]=3 113 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|1,0,1]=3 116 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,0,0,0,0|2,0,0]=3 121 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|2,0,0]=3 122 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,0,0,0,0|3,0,0]=4 123 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,0,0,0,0|2,0,1]=4 126 B9R0.1 C=CC(=C)CCC=C(C)C CNP0241365.0 [0,1,0,0,0,0|1,0,2]=4 127 B9R0.1 C=CC(=C)CCCC(=C)C CNP0388953.0 [0,1,0,0,0,0|1,0,1]=3 128 B9R0.1 C=CC(=CCCC(=C)C)C CNP0337143.0 [0,1,0,0,0,0|1,0,2]=4 129 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,1,0,0,0,0|1,0,1]=3 130 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,1,0,0,0,0|1,0,1]=3 131 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [0,1,0,0,0,0|1,0,2]=4 132 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,1,0,0,0,0|2,0,1]=4 133 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,1,0,0,0,0|2,0,1]=4 134 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,0|1,0,2]=4 136 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,0|1,0,2]=4 137 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,0|1,0,1]=3 138 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.5 C/C=C/[S@@+]([O-])SCCCC CNP0553305.1 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.5 C/C=C/[S@@H+]([O-])SCCCC CNP0479452.1 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|0,0,0]=1 142 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,1,0,0,0,0|0,0,2]=3 143 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|0,0,0]=1 144 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,1,0,0,0,0|0,0,2]=3 145 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|0,0,0]=1 146 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,0,0,0,0|1,0,0]=2 147 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|0,0,2]=3 148 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|0,0,2]=3 149 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|0,0,2]=3 150 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [0,1,0,0,0,0|1,0,2]=4 151 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [0,1,0,0,0,0|1,0,2]=4 152 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,1,0,0,0,0|0,0,2]=3 154 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|1,0,2]=4 155 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|1,0,2]=4 156 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|1,0,2]=4 157 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,1,0,0,0,0|1,0,1]=3 158 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|0,0,2]=3 159 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,1,0,0,0,0|1,0,1]=3 160 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|1,0,1]=3 161 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,1,0,0,0,0|2,0,1]=4 162 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,1,0,0,0,0|0,0,3]=4 163 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,0,0,0,0|0,0,2]=3 164 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,0,0,0,0|0,0,2]=3 165 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,1,0,0,0,0|1,0,2]=4 166 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,0,0,0,0|1,0,1]=3 167 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,1,0,0,0,0|1,0,2]=4 168 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,0,0,0,0|1,0,1]=3 169 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,0,0,0,0|1,0,1]=3 170 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,1,0,0,0,0|0,0,0]=1 171 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [0,1,0,0,0,0|1,0,0]=2 172 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,0,0,0,0|0,0,3]=4 173 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,1,0,0,0,0|0,0,2]=3 174 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,1,0,0,0,0|0,0,2]=3 175 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,1,0,0,0,0|0,0,2]=3 176 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,1,0,0,0,0|0,0,2]=3 177 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,1,0,0,0,0|1,0,2]=4 178 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,1,0,0,0,0|1,0,2]=4 179 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,1,0,0,0,0|2,0,0]=3 180 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,1,0,0,0,0|3,0,0]=4 181 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|0,0,2]=3 182 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,1,0,0,0,0|2,0,0]=3 183 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|1,0,1]=3 184 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,0,0,0,0|0,0,2]=3 186 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,1,0,0,0,0|1,0,0]=2 188 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,0,0,0,0|1,0,1]=3 189 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|0,0,1]=2 190 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,1,0,0,0,0|1,0,1]=3 191 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|0,0,2]=3 192 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,0,0,0,0|0,0,3]=4 195 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,1,0,0,0,0|1,0,2]=4 196 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,1,0,0,0,0|1,0,2]=4 198 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,0,0,0,0|1,0,2]=4 199 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,0,0,0,0|1,0,2]=4 200 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,1,0,0,0,0|2,0,0]=3 201 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,1,0,0,0,0|2,0,0]=3 202 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,1,0,0,0,0|1,0,1]=3 203 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [0,1,0,0,0,0|0,0,2]=3 204 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,0,0,0,0|0,0,3]=4 205 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,0,1,0,0|0,0,2]=3 206 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,0,0,1,0,0|1,0,1]=3 207 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,0,0,1,0,0|1,0,2]=4 208 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,0,0,1,0,0|2,0,1]=4 209 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,0,1,0,0|1,0,0]=2 211 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|0,0,2]=3 212 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|1,0,2]=4 213 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,1,0,0|2,0,1]=4 214 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,1,0,0|1,0,2]=4 215 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [0,0,0,1,0,0|2,0,0]=3 216 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,0,0,1,0,0|3,0,0]=4 217 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,0,0,1,0,0|2,0,1]=4 218 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|1,0,2]=4 219 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,0,0,1,0,0|1,0,2]=4 220 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|0,0,2]=3 221 B9R1.80 C=CC(=O)OCC1CO1 CNP0610091.0 [0,0,0,1,0,0|2,0,0]=3 222 B9R1.132 CCC1=C(C(=N)CC1)O CNP0002638.0 [0,0,0,1,0,0|2,0,1]=4 223 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,0,0,1,0,0|1,0,1]=3 224 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,0,0,1,0,0|1,0,0]=2 225 B6R0.6 C=CC=CCCC CNP0526826.0 [2,0,0,0,0,0|0,0,1]=3 226 B6R0.6 C=CCCC=CC CNP0426808.0 [2,0,0,0,0,0|0,0,2]=4 227 B6R0.6 C=CCCCC#N CNP0287374.0 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.6 C=CCCCC=C CNP0115869.0 [2,0,0,0,0,0|0,0,2]=4 229 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,0]=2 230 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.6 C=CCOCCO CNP0248950.0 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.6 C=CCSCCC CNP0150756.0 [2,0,0,0,0,0|1,0,0]=3 233 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|0,0,2]=4 235 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,1]=3 236 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|1,0,1]=4 238 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,2]=4 240 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,2]=4 241 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|1,0,0]=3 242 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|2,0,0]=4 243 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 244 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,0]=2 245 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,2]=4 246 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,2]=4 248 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,1]=4 249 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,2]=4 250 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|1,0,1]=4 253 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,1,0]=4 254 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|1,0,0]=3 258 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|1,0,0]=3 259 B6R0.6 O=CCCCC=O CNP0204417.0 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,0]=2 261 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [2,0,0,0,0,0|0,0,2]=4 263 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,0]=3 265 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,2]=4 266 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,1]=4 267 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|1,0,1]=4 268 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.1 O=CC(=O)CCO CNP0294743.0 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,1]=3 273 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|2,0,0]=4 291 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,1,0,0,0,0|0,0,1]=3 292 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,1,0,0,0,0|0,0,1]=3 293 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,1,0,0,0,0|0,0,1]=3 294 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|0,0,2]=4 295 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,1,0,0,0,0|0,0,1]=3 296 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,1,0,0,0,0|0,0,0]=2 297 B8R0.4 C=CCCCCCC=C CNP0320273.0 [1,1,0,0,0,0|0,0,2]=4 298 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,1,0,0,0,0|0,0,2]=4 299 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,1,0,0,0,0|0,0,1]=3 300 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,1,0,0,0,0|0,0,1]=3 301 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,1,0,0,0,0|0,0,1]=3 302 B8R0.4 CC=CC#CCCCC CNP0343796.0 [1,1,0,0,0,0|0,0,2]=4 303 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [1,1,0,0,0,0|0,0,2]=4 305 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,1,0,0,0,0|0,0,2]=4 306 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,1,0,0,0,0|0,0,1]=3 307 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,1,0,0,0,0|0,0,1]=3 308 B8R0.4 CC=CSSCCCC CNP0612155.0 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|0,0,1]=3 310 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,1,0,0,0,0|0,0,2]=4 312 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,1,0,0,0,0|0,0,2]=4 313 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,1,0,0,0,0|1,0,1]=4 314 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,1,0,0,0,0|0,0,0]=2 315 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,1,0,0,0,0|0,0,1]=3 316 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,1,0,0,0,0|0,0,1]=3 317 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,1,0,0,0,0|1,0,1]=4 318 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,1,0,0,0,0|0,0,2]=4 319 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,1,0,0,0,0|0,0,2]=4 320 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,1,0,0,0,0|1,0,1]=4 321 B8R0.4 CSCCCCC=NO CNP0070910.0 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.4 CSCCCN=CC=S CNP0098576.0 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,1,0,0,0,0|0,0,1]=3 325 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,1,0,0,0,0|0,0,2]=4 326 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,1,0,0,0,0|0,0,1]=3 327 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|0,0,2]=4 329 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|0,0,2]=4 330 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|0,0,1]=3 332 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|0,0,1]=3 333 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|0,0,2]=4 334 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,1,0,0,0,0|1,0,1]=4 337 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|1,0,1]=4 338 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|0,0,2]=4 339 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|0,0,2]=4 340 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [1,1,0,0,0,0|2,0,0]=4 342 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|0,0,1]=3 343 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|0,0,2]=4 345 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|0,0,2]=4 346 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|0,0,2]=4 347 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|0,0,2]=4 351 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|0,0,2]=4 352 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|1,0,1]=4 353 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [1,1,0,0,0,0|0,0,1]=3 355 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|0,0,1]=3 356 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|2,0,0]=4 357 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|0,0,2]=4 358 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|0,0,2]=4 359 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|1,0,1]=4 361 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [1,1,0,0,0,0|2,0,0]=4 362 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|1,0,0]=3 363 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|0,0,2]=4 364 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,1]=3 366 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|1,0,0]=3 367 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|1,0,0]=3 368 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|1,0,0]=3 370 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [1,1,0,0,0,0|2,0,0]=4 371 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,1,0,0,0,0|0,0,2]=4 372 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,1,0,0,0,0|1,0,0]=3 373 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,1,0,0,0,0|0,0,2]=4 374 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|0,0,1]=3 376 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,1,0,0,0,0|1,0,1]=4 377 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [1,1,0,0,0,0|1,0,0]=3 380 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|1,0,0]=3 381 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [1,1,0,0,0,0|1,0,0]=3 382 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [1,1,0,0,0,0|2,0,0]=4 383 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|1,0,0]=3 384 B10R0.3 C=C(C)CCCC(=CC=O)C CNP0211980.0 [0,2,0,0,0,0|1,0,1]=4 385 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [0,2,0,0,0,0|1,0,1]=4 386 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|0,0,2]=4 387 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|0,0,2]=4 388 B10R0.44 C=CC(=C)CC(=O)CC(C)C CNP0179446.0 [0,2,0,0,0,0|1,0,1]=4 389 B10R0.44 C=CC(=C)C[C@@H](O)CC(C)C CNP0236556.1 [0,2,0,0,0,0|1,0,0]=3 390 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,2,0,0,0,0|0,0,2]=4 391 B10R0.59 C=CC(=C)CCCC(C)CO CNP0575174.0 [0,2,0,0,0,0|1,0,0]=3 392 B10R0.60 C=CC(=C)CCCC(C)(C)O CNP0356911.0 [0,2,0,0,0,0|1,0,0]=3 393 B10R0.60 C=CC(=CCCC(C)(C)O)C CNP0197999.0 [0,2,0,0,0,0|1,0,1]=4 394 B10R0.60 C=C[C@@H](C)CCCC(C)(C)O CNP0080125.1 [0,2,0,0,0,0|1,0,1]=4 395 B10R0.65 C=CC(C)(O)CCCC(C)C CNP0150178.0 [0,2,0,0,0,0|0,0,2]=4 396 B10R0.82 C=C(C)C(=O)OCC(C)CC CNP0528381.0 [0,2,0,0,0,0|1,0,0]=3 397 B10R0.82 C=CC(=C)CCC(=O)C(C)C CNP0206520.0 [0,2,0,0,0,0|1,0,1]=4 398 B10R0.82 C=CC(=C)CC[C@@H](O)C(=C)C CNP0132215.1 [0,2,0,0,0,0|1,0,1]=4 399 B10R0.82 C=C[C@@H](C)CCC(=O)C(=C)C CNP0345771.1 [0,2,0,0,0,0|0,0,2]=4 400 B10R0.82 O=C(O)C(=O)CC[C@H](O)CO CNP0119428.1 [0,2,0,0,0,0|2,0,0]=4 401 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [0,2,0,0,0,0|1,0,1]=4 402 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|0,0,2]=4 403 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|0,0,2]=4 404 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|0,0,2]=4 405 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|0,0,2]=4 406 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|0,0,2]=4 407 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,2]=4 408 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,2,0,0,0,0|0,0,0]=2 409 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,2,0,0,0,0|0,0,1]=3 410 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|0,0,2]=4 411 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,2,0,0,0,0|1,0,1]=4 412 B10R0.6 CCCCOC(=O)NC(=O)N CNP0536572.0 [0,2,0,0,0,0|2,0,0]=4 413 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|0,0,2]=4 414 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|0,0,2]=4 415 B10R0.83 C=C(C#N)C(=O)OCCCC CNP0582934.0 [0,2,0,0,0,0|1,0,0]=3 416 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,2,0,0,0,0|0,0,0]=2 417 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,2,0,0,0,0|1,0,0]=3 418 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,2,0,0,0,0|1,0,1]=4 419 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,2,0,0,0,0|1,0,1]=4 420 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [0,2,0,0,0,0|1,0,1]=4 421 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,2,0,0,0,0|0,0,2]=4 422 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|0,0,0]=2 423 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,2,0,0,0,0|0,0,0]=2 424 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,2,0,0,0,0|0,0,0]=2 425 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,2,0,0,0,0|0,0,2]=4 426 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,2,0,0,0,0|0,0,0]=2 427 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,2,0,0,0,0|0,0,0]=2 428 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|0,0,1]=3 429 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|0,0,2]=4 430 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,2]=4 431 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|0,0,2]=4 432 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,2,0,0,0,0|0,0,2]=4 433 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [0,2,0,0,0,0|0,0,2]=4 434 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [0,2,0,0,0,0|0,0,2]=4 435 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,2,0,0,0,0|1,0,1]=4 436 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,2,0,0,0,0|0,0,2]=4 437 B10R0.81 CCCC[C@@H](Br)C(=O)C(Br)Br CNP0305184.2 [0,2,0,0,0,0|1,0,1]=4 438 B10R0.81 CCCC[C@H](Br)C(=O)C(Br)Br CNP0305184.1 [0,2,0,0,0,0|1,0,1]=4 439 B10R0.81 CCCC[C@H](I)C(=O)C(Br)Br CNP0250666.1 [0,2,0,0,0,0|1,0,1]=4 440 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,2,0,0,0,0|1,0,1]=4 441 B10R0.124 CCCCC(Br)(Br)C(=O)CBr CNP0241772.0 [0,2,0,0,0,0|1,0,1]=4 442 B10R0.124 CCCCC(Br)(Br)C(=O)CI CNP0256582.0 [0,2,0,0,0,0|1,0,1]=4 443 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|1,0,1]=4 444 B10R0.55 C=CC(=O)CCCOC(=O)C CNP0357217.0 [0,2,0,0,0,0|0,0,1]=3 445 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,2,0,0,0,0|1,0,1]=4 446 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,2,0,0,0,0|1,0,1]=4 447 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,2,0,0,0,0|0,0,0]=2 448 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,2,0,0,0,0|0,0,2]=4 449 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,2,0,0,0,0|1,0,1]=4 450 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,2,0,0,0,0|1,0,1]=4 451 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,2,0,0,0,0|1,0,1]=4 452 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,2,0,0,0,0|1,0,1]=4 453 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,2,0,0,0,0|0,0,2]=4 454 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,2,0,0,0,0|1,0,1]=4 455 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,2,0,0,0,0|2,0,0]=4 456 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,2,0,0,0,0|1,0,1]=4 457 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,2,0,0,0,0|0,0,2]=4 458 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,2,0,0,0,0|1,0,0]=3 459 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,2,0,0,0,0|0,0,2]=4 460 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,2,0,0,0,0|1,0,0]=3 461 B10R0.86 CCCCCC(=C(C)C)CC CNP0525945.0 [0,2,0,0,0,0|1,0,1]=4 462 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [1,0,0,1,0,0|1,0,1]=4 463 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,0,0,1,0,0|0,0,1]=3 464 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|0,0,1]=3 465 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [1,0,0,1,0,0|1,0,1]=4 466 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|1,0,1]=4 467 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,0,0,1,0,0|1,0,1]=4 470 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,1,0,0|1,0,1]=4 471 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,0,0,1,0,0|1,0,1]=4 472 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [1,0,0,1,0,0|2,0,0]=4 474 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|0,0,1]=3 475 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,0,0,1,0,0|1,0,1]=4 476 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|1,0,0]=3 477 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|1,0,1]=4 478 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|2,0,0]=4 479 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,1,0,0|1,0,1]=4 480 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,1,0,0|1,0,1]=4 481 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|1,0,1]=4 483 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|1,0,1]=4 484 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|1,0,1]=4 485 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|1,0,1]=4 489 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|2,0,0]=4 491 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [1,0,0,1,0,0|0,0,1]=3 493 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|0,0,1]=3 494 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|1,0,1]=4 496 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [1,0,0,1,0,0|1,0,0]=3 497 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,0,0,1,0,0|0,0,2]=4 499 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|0,0,2]=4 500 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|1,0,1]=4 501 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [1,0,0,1,0,0|1,0,1]=4 502 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [1,0,0,1,0,0|2,0,0]=4 503 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [1,0,0,1,0,0|2,0,0]=4 504 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [1,0,0,1,0,0|2,0,0]=4 505 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [1,0,0,1,0,0|2,0,0]=4 506 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|0,0,2]=4 507 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,0,0,1,0,0|1,0,1]=4 508 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|1,0,1]=4 509 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|1,0,0]=3 510 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|0,0,1]=3 511 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,1,0,0|1,0,1]=4 512 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|1,0,1]=4 513 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,0]=3 514 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|1,0,1]=4 516 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,1]=3 517 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|1,0,0]=3 518 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,1]=3 519 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|1,0,0]=3 520 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,1]=4 522 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|1,0,0]=3 525 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|2,0,0]=4 527 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,1,0,0|2,0,0]=4 528 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|2,0,0]=4 529 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|2,0,0]=4 530 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [1,0,0,1,0,0|2,0,0]=4 532 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|1,0,1]=4 533 B10R1.13 C=C1C=C[C@@H](CC1)C(C)C CNP0204388.2 [0,1,0,1,0,0|1,0,0]=3 534 B10R1.13 C=C1C=C[C@H](CC1)C(=C)C CNP0418154.1 [0,1,0,1,0,0|1,0,1]=4 535 B10R1.13 C=C1C=C[C@H](CC1)C(C)C CNP0204388.1 [0,1,0,1,0,0|1,0,0]=3 536 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,1,0,1,0,0|0,0,2]=4 537 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,1,0,1,0,0|0,0,0]=2 538 B10R1.13 CC(C)[C@@H]1C=C[C@@H](CC1)C CNP0084021.1 [0,1,0,1,0,0|1,0,1]=4 539 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,1,0,1,0,0|0,0,0]=2 540 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [0,1,0,1,0,0|1,0,1]=4 541 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [0,1,0,1,0,0|1,0,1]=4 542 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [0,1,0,1,0,0|1,0,1]=4 543 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [0,1,0,1,0,0|1,0,1]=4 544 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [0,1,0,1,0,0|1,0,1]=4 545 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,1,0,1,0,0|0,0,2]=4 546 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,1,0,1,0,0|0,0,2]=4 547 B10R1.194 C=C1C(=O)CC[C@@H]1C(=O)O CNP0129615.1 [0,1,0,1,0,0|1,0,1]=4 548 B10R1.194 C=C1C(=O)CC[C@H]1C(=O)O CNP0129615.2 [0,1,0,1,0,0|1,0,1]=4 549 B10R1.194 CC(C)C1=C(C(=O)CC1)O CNP0240398.0 [0,1,0,1,0,0|1,0,1]=4 550 B10R1.194 CC(C)C1CCC(=O)C1=O CNP0002623.0 [0,1,0,1,0,0|1,0,0]=3 551 B10R1.194 C[C@@H](O)C1=C(C(=O)CC1)Cl CNP0370769.2 [0,1,0,1,0,0|1,0,1]=4 552 B10R1.194 C[C@H](O)C1=C(C(=O)CC1)Cl CNP0370769.1 [0,1,0,1,0,0|1,0,1]=4 553 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|0,0,2]=4 554 B10R1.301 C=C1C(=CCCC1(C)C)C CNP0330496.0 [0,1,0,1,0,0|1,0,1]=4 555 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,1,0,1,0,0|0,0,0]=2 556 B10R1.10 C/C=C/[C@@H]1CCC[C@@H](N1)C CNP0335648.1 [0,1,0,1,0,0|1,0,1]=4 557 B10R1.10 C/C=C/[C@H]1CCC[C@H](N1)C CNP0335648.2 [0,1,0,1,0,0|1,0,1]=4 558 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,1,0,1,0,0|1,0,1]=4 559 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,1,0,0|1,0,0]=3 560 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,1,0,0|1,0,0]=3 561 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,1,0,1,0,0|0,0,1]=3 562 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [0,1,0,1,0,0|0,1,0]=3 563 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [0,1,0,1,0,0|0,0,1]=3 564 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [0,1,0,1,0,0|0,0,1]=3 565 B10R1.21 CCCCCC1=NC=CS1 CNP0002560.0 [0,1,0,1,0,0|0,1,0]=3 566 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,1,0,0|1,0,1]=4 567 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,1,0,0|1,0,1]=4 568 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,2]=4 569 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|0,0,2]=4 570 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|0,0,2]=4 571 B10R1.245 N=CC1=C(CCCC1=O)O CNP0451959.0 [0,1,0,1,0,0|1,0,1]=4 572 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|1,0,1]=4 573 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|0,0,1]=3 574 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,1,0,1,0,0|0,0,2]=4 575 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,1,0,1,0,0|1,0,1]=4 576 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,1,0,0|1,0,1]=4 577 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,1,0,1,0,0|1,0,1]=4 578 B10R1.34 CCC1=C(C(=O)C(C1)C)O CNP0233549.0 [0,1,0,1,0,0|1,0,1]=4 579 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,1,0,1,0,0|1,0,0]=3 580 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,1,0,1,0,0|1,0,0]=3 581 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|1,0,0]=3 582 B10R1.411 COC(=O)C1(CCCC1)N CNP0570869.0 [0,1,0,1,0,0|1,0,1]=4 583 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,1,0,1,0,0|0,0,2]=4 584 B10R1.473 CCC1(CCC(=O)CC1)O CNP0380589.0 [0,1,0,1,0,0|0,0,2]=4 585 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,1,0,1,0,0|0,0,2]=4 586 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,1,0,1,0,0|0,0,2]=4 587 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,1,0,1,0,0|1,0,1]=4 588 B10R1.256 CCC1=C(C(=O)C[C@@H]1C)O CNP0105899.1 [0,1,0,1,0,0|1,0,1]=4 589 B10R1.2 C[C@H]1CCC/C(=N/O)/C1=O CNP0226443.1 [0,1,0,1,0,0|1,0,1]=4 590 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|1,0,1]=4 591 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|0,0,2]=4 592 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|0,0,2]=4 593 B10R1.113 C=C(C)C1=CC(CCC1)C CNP0596114.0 [0,1,0,1,0,0|1,0,0]=3 594 B10R1.205 C=C(C)C(=O)OCC1CO1 CNP0077281.0 [0,1,0,1,0,0|2,0,0]=4 595 B10R2.178 O=C1C=CC2CO[C@H]1O2 CNP0269404.1 [0,0,0,2,0,0|2,0,0]=4 596 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [0,0,0,2,0,0|1,0,1]=4 597 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|1,0,1]=4 598 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,2,0,0|0,0,0]=2 599 B10R2.32 O=C1C=C[C@@H]2N1CCC2 CNP0161013.1 [0,0,0,2,0,0|1,0,0]=3 600 B10R2.32 O=C1C=C[C@H]2N1CCC2 CNP0161013.2 [0,0,0,2,0,0|1,0,0]=3 601 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,2,0,0|1,0,1]=4 602 B10R2.129 C=CC1(CC2CC1C2)O CNP0605479.0 [0,0,0,2,0,0|0,0,2]=4