0 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,0,0,0,0,0|0,1,2]=3 7 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 CCCNC(=S)NN CNP0494468.0 [0,0,0,0,0,0|3,1,0]=4 24 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,0,0,0,0,0|0,0,0]=0 25 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,0,0,0,0,0|0,2,1]=3 26 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,0,0,0,0,0|2,1,1]=4 29 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,0,0,0,0|0,0,2]=3 38 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,0,0,0,0|0,0,2]=3 42 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.1 CCC(Br)CCBr CNP0612222.0 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,0,0,0,0|0,0,0]=1 50 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,0,0,0,0|0,0,2]=3 57 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,0,0,0,0|0,0,0]=1 66 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.1 CCOC(C)CC CNP0086282.0 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.1 CCOC(C)OC CNP0612171.0 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,0,0,0,0|0,1,0]=2 71 B6R0.1 CCSC(S)CC CNP0488688.0 [1,0,0,0,0,0|0,2,1]=4 72 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,0,0,0,0|0,0,2]=3 82 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,0,0,0,0|0,1,2]=4 83 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|1,0,0]=2 92 B6R0.4 CC(C)OCCO CNP0079907.0 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,1]=3 94 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|1,0,2]=4 102 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|0,0,0]=1 105 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|0,1,0]=2 106 B6R0.4 CCCSC(C)C CNP0228244.0 [1,0,0,0,0,0|1,1,1]=4 107 B6R0.4 CCCSC(C)S CNP0609747.0 [1,0,0,0,0,0|0,2,1]=4 108 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [1,0,0,0,0,0|1,1,1]=4 109 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|1,1,0]=3 118 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.4 O=S(=O)OCCO CNP0082071.0 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|1,0,2]=4 125 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,0,0,0,0|1,0,2]=4 126 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,1]=3 127 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,0,0,0,0|0,0,3]=4 130 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|0,1,1]=3 131 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,0,0,0,0|1,1,1]=4 132 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,0,0,0,0|1,0,1]=3 134 B6R0.6 CCC=CCC#N CNP0106706.0 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|1,0,0]=2 137 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|1,0,1]=3 145 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|1,0,1]=3 154 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|1,0,1]=3 155 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|0,1,1]=3 156 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|1,1,0]=3 157 B6R0.6 CCCSSSC CNP0104471.0 [1,0,0,0,0,0|2,1,0]=4 158 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.6 CCSSCSC CNP0003140.0 [1,0,0,0,0,0|2,1,0]=4 162 B6R0.6 CCSSSCC CNP0196220.0 [1,0,0,0,0,0|2,1,0]=4 163 B6R0.6 ClCCOCCCl CNP0082891.0 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.6 NCCOCCN CNP0447264.0 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.6 OCCOCCO CNP0333860.0 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,0,0,0,0|1,0,2]=4 167 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,1,0,0,0,0|0,0,3]=4 168 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,0,0,0,0|0,0,2]=3 169 B8R0.1 C=CCS(=S)OCCC CNP0529420.0 [0,1,0,0,0,0|1,1,1]=4 170 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,0,0,0,0|1,0,1]=3 171 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,0,0,0,0|0,0,0]=1 177 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,1,0,0,0,0|1,0,1]=3 178 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,1,0,0,0,0|1,1,1]=4 179 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,1,0,0,0,0|1,1,1]=4 180 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,1,0,0,0,0|2,1,0]=4 184 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,1,0,0,0,0|2,1,0]=4 185 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,0,0,0,0|1,0,0]=2 189 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,0,0,0,0|1,0,0]=2 191 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,1,0,0,0,0|1,0,2]=4 192 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,0,0,0,0|1,0,0]=2 194 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,1,0,0,0,0|1,0,2]=4 197 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,1,0,0,0,0|1,0,2]=4 199 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,0,0,0,0|2,0,0]=3 200 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,1,0,0,0,0|3,0,0]=4 201 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,0,0,0,0|1,0,2]=4 204 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,0,0,0,0|0,0,2]=3 205 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|1,0,0]=2 209 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,0,0,0,0|2,0,0]=3 210 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|1,0,0]=2 211 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|2,0,0]=3 212 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,0,0,0,0|2,0,0]=3 213 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,0,0,0,0|0,0,0]=1 218 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,1,0,0,0,0|2,0,1]=4 219 B8R0.6 CCCSSC(C)CC CNP0570615.0 [0,1,0,0,0,0|1,1,1]=4 220 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,1,0,0,0,0|1,0,1]=3 226 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,1,0,0,0,0|0,0,2]=3 227 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,0,0,0,0|1,0,1]=3 229 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,1,0,0,0,0|1,0,0]=2 231 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,1,0,0,0,0|1,0,2]=4 235 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,1,0,0,0,0|0,0,0]=1 237 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,0,0,0,0|1,0,2]=4 240 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,0|1,0,2]=4 241 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,0|1,0,0]=2 244 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,0,0,0,0|1,0,0]=2 245 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,0,0,0,0|0,0,0]=1 248 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,0|2,0,0]=3 253 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,1,0,0,0,0|1,0,2]=4 255 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,1,0,0,0,0|1,0,2]=4 256 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,1,0,0,0,0|1,0,1]=3 257 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,1,0,0,0,0|1,0,0]=2 258 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,1,0,0,0,0|1,0,1]=3 259 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.11 CCCCC(CC)CS CNP0002408.0 [0,1,0,0,0,0|1,1,1]=4 261 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,1,0,0,0,0|1,0,1]=3 262 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [0,1,0,0,0,0|1,0,2]=4 263 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,1,0,0,0,0|1,0,1]=3 264 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [0,1,0,0,0,0|1,0,2]=4 265 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,0,0,0,0|1,0,1]=3 267 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,0,0,0,0|1,0,0]=2 268 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,0,0,0,0|1,0,0]=2 269 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,1,0,0,0,0|0,0,1]=2 270 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,0,0,0,0|0,0,0]=1 271 B8R0.19 CCC(S)SC(S)CC CNP0098447.0 [0,1,0,0,0,0|0,2,1]=4 272 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,0,0,0,0|2,0,0]=3 274 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [0,1,0,0,0,0|1,0,2]=4 275 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,0,0,0,0|2,0,0]=3 276 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,1,0,0,0,0|3,0,0]=4 279 B8R0.25 CCCC[Si](Cl)(Cl)CC CNP0222003.0 [0,1,0,0,0,0|2,1,0]=4 280 B8R0.25 COP(=O)(O)OCCCl CNP0107078.0 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,0,0,1,0,0|1,0,1]=3 283 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,0,0,1,0,0|0,0,2]=3 284 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,0,0,1,0,0|1,0,2]=4 285 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,0,0,1,0,0|1,0,1]=3 286 B8R1.1 CCC1SCC(S1)C CNP0611981.0 [0,0,0,1,0,0|0,2,1]=4 287 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,0,0,1,0,0|0,0,2]=3 288 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,0,0,1,0,0|0,0,0]=1 289 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,0,0,1,0,0|2,0,1]=4 290 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,0,0,1,0,0|2,0,1]=4 291 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,0,0,1,0,0|2,1,0]=4 292 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,0,0,1,0,0|0,0,0]=1 293 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,0,0,1,0,0|2,1,0]=4 295 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,0,0,1,0,0|3,0,0]=4 298 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,0,0,1,0,0|1,0,0]=2 299 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,0,0,1,0,0|1,0,2]=4 300 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,0,0,1,0,0|2,0,0]=3 301 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,0,0,1,0,0|1,0,0]=2 303 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,0,0,1,0,0|1,0,0]=2 304 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,0,0,1,0,0|1,0,0]=2 305 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,0,1,0,0|2,0,0]=3 306 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,0,0,1,0,0|1,0,1]=3 308 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,0,0,1,0,0|1,0,1]=3 309 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,0|1,0,2]=4 313 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,1,0,0|1,0,0]=2 314 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,0|2,0,0]=3 315 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,0,0,1,0,0|3,0,0]=4 316 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,1,0,0|2,0,0]=3 317 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,0,0,1,0,0|1,1,1]=4 318 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,0,0,1,0,0|1,0,2]=4 320 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,0,0,1,0,0|2,0,1]=4 321 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,0|1,0,1]=3 323 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,1,0,0|2,0,0]=3 324 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,0,0,1,0,0|2,0,0]=3 326 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,0,0|1,0,0]=2 327 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,0,1,0,0|1,0,2]=4 328 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,1,0,0|0,0,0]=1 329 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,0,0,1,0,0|2,0,1]=4 331 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,0,0,1,0,0|2,0,0]=3 332 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,0,1,0,0|2,0,1]=4 334 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,1,0,0|2,0,0]=3 335 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|2,0,0]=3 338 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,1,0,0|2,0,0]=3 339 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|1,0,2]=4 340 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|1,0,0]=2 341 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|1,0,0]=2 342 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|0,0,0]=1 343 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,1,0,0|2,0,0]=3 344 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|1,0,1]=3 345 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,0,0,1,0,0|1,0,2]=4 346 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,0,0,1,0,0|1,0,2]=4 347 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,1,0,0|1,0,2]=4 348 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,0,0,1,0,0|2,0,1]=4 349 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,0,0,1,0,0|2,0,0]=3 351 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,0,0,1,0,0|2,0,1]=4 352 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,0,0,1,0,0|1,0,0]=2 353 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,0,0,1,0,0|1,0,0]=2 354 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,0,1,0,0|1,0,0]=2 355 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,1,0,0|0,1,0]=2 356 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,0,0,1,0,0|2,0,1]=4 357 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,0,0,1,0,0|1,0,0]=2 358 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,0,0,1,0,0|2,0,1]=4 359 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,0,0,1,0,0|2,0,1]=4 360 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,0,0,1,0,0|2,0,0]=3 361 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,0,0,1,0,0|2,0,0]=3 362 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,0,0,1,0,0|2,0,0]=3 363 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,0,0,1,0,0|2,0,0]=3 364 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [0,0,0,1,0,0|2,0,1]=4 365 B8R1.52 OC[C@]1(CCCO1)O CNP0357577.1 [0,0,0,1,0,0|1,0,2]=4 366 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|1,0,0]=3 367 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|0,0,2]=4 369 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|0,0,2]=4 370 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|0,0,2]=4 371 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|1,0,0]=3 373 B5R0.1 CC(=O)OCS CNP0547679.0 [2,0,0,0,0,0|1,0,0]=3 374 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|0,0,2]=4 375 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|1,0,1]=4 376 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|0,0,2]=4 377 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,0]=2 378 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|1,0,1]=4 382 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|0,1,1]=4 383 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|0,0,2]=4 384 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|0,0,2]=4 385 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|0,0,0]=2 387 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,1]=4 390 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|0,0,0]=2 391 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|0,1,0]=3 392 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|2,0,0]=4 403 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.2 C=CCOC=O CNP0541341.0 [2,0,0,0,0,0|0,0,2]=4 406 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,1]=3 407 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|1,0,1]=4 408 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|1,0,1]=4 410 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|1,0,1]=4 411 B5R0.2 CCC=NNC CNP0543863.0 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|1,0,1]=4 413 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,0]=3 415 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 416 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,1]=3 417 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 418 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 419 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|1,0,1]=4 420 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|0,0,0]=2 426 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|0,1,0]=3 427 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|1,1,0]=4 428 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.2 CCOCC#N CNP0184632.0 [2,0,0,0,0,0|1,0,1]=4 431 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,0,0]=3 432 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|1,1,0]=4 433 B5R0.2 CCSSCC CNP0416624.0 [2,0,0,0,0,0|1,1,0]=4 434 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.3 C#CC(=O)OC CNP0572702.0 [2,0,0,0,0,0|0,0,2]=4 437 B5R0.3 C=CC(=O)CC CNP0362181.0 [2,0,0,0,0,0|0,0,2]=4 438 B5R0.3 C=CC(=O)OC CNP0217866.0 [2,0,0,0,0,0|0,0,2]=4 439 B5R0.3 CC=C(C)CC CNP0247687.0 [2,0,0,0,0,0|1,0,1]=4 440 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|1,0,1]=4 441 B5R0.3 CCC(=O)CC CNP0270305.0 [2,0,0,0,0,0|0,0,0]=2 442 B5R0.3 CCC(=O)CO CNP0165007.0 [2,0,0,0,0,0|1,0,0]=3 443 B5R0.3 CCC(=O)NN CNP0281170.0 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.3 CCC(=O)OC CNP0166631.0 [2,0,0,0,0,0|0,0,0]=2 445 B5R0.3 CCC(=O)SC CNP0240172.0 [2,0,0,0,0,0|0,1,0]=3 446 B5R0.3 CCC(C)CC CNP0316485.0 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.3 CCC(N)CC CNP0103985.0 [2,0,0,0,0,0|1,0,1]=4 448 B5R0.3 CCC(O)CC CNP0293075.0 [2,0,0,0,0,0|0,0,2]=4 449 B5R0.3 CC[S+](C)CC CNP0038064.0 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.3 CC[S](C)CC CNP0523180.0 [2,0,0,0,0,0|2,0,0]=4 451 B5R0.3 CNC(=O)NC CNP0028412.0 [2,0,0,0,0,0|2,0,0]=4 452 B5R0.3 CNC(=O)OC CNP0483114.0 [2,0,0,0,0,0|1,0,0]=3 453 B5R0.3 COC(=O)CI CNP0017842.0 [2,0,0,0,0,0|1,0,0]=3 454 B5R0.3 COC(=O)NN CNP0033099.0 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.3 O=C(CBr)CBr CNP0132836.0 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.3 O=C(CBr)CI CNP0145168.0 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.3 O=C(CCl)CBr CNP0149884.0 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.3 O=C(CCl)CCl CNP0301990.0 [2,0,0,0,0,0|2,0,0]=4 459 B5R0.3 O=C(CCl)CI CNP0408833.0 [2,0,0,0,0,0|2,0,0]=4 460 B5R0.3 O=C(CO)CCl CNP0281226.0 [2,0,0,0,0,0|2,0,0]=4 461 B5R0.3 O=C(CO)CO CNP0303926.0 [2,0,0,0,0,0|2,0,0]=4 462 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [2,0,0,0,0,0|2,0,0]=4 463 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,1,0,0,0,0|0,0,2]=4 465 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|1,0,1]=4 466 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|0,0,0]=2 467 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,1,0,0,0,0|0,0,0]=2 469 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,1,0,0,0,0|1,0,1]=4 470 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|1,0,0]=3 479 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,1,0,0,0,0|0,0,1]=3 480 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,1,0,0,0,0|2,0,0]=4 481 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,1,0,0,0,0|0,0,2]=4 482 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,1,0,0,0,0|0,0,2]=4 483 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|0,0,1]=3 485 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,1,0,0,0,0|0,0,0]=2 488 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,1,0,0,0,0|0,0,0]=2 489 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,1,0,0,0,0|0,0,0]=2 490 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,1,0,0,0,0|0,0,1]=3 492 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [1,1,0,0,0,0|1,0,0]=3 493 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,1,0,0,0,0|0,0,0]=2 494 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,1,0,0,0,0|0,0,0]=2 495 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [1,1,0,0,0,0|1,0,0]=3 496 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,1,0,0,0,0|0,0,0]=2 497 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,1,0,0,0,0|1,0,0]=3 498 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [1,1,0,0,0,0|1,0,0]=3 499 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,1,0,0,0,0|0,0,0]=2 500 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,1,0,0,0,0|1,0,0]=3 501 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,1,0,0,0,0|0,0,1]=3 503 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,1,0,0,0,0|0,0,1]=3 505 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,1,0,0,0,0|0,0,1]=3 506 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,1,0,0,0,0|0,0,0]=2 508 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,1,0,0,0,0|0,0,0]=2 509 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,1,0,0,0,0|0,1,0]=3 510 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,1,0,0,0,0|0,0,2]=4 512 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,1,0,0,0,0|0,1,1]=4 515 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,1,0,0,0,0|0,1,1]=4 518 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,1,0,0,0,0|0,0,2]=4 519 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,1,0,0,0,0|0,0,2]=4 520 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,1,0,0,0,0|0,0,2]=4 521 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,1,0,0,0,0|0,0,0]=2 522 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,1,0,0,0,0|0,0,0]=2 523 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,1,0,0,0,0|0,0,0]=2 524 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,1,0,0,0,0|0,0,0]=2 525 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,1,0,0,0,0|1,0,0]=3 527 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,1,0,0,0,0|0,0,2]=4 528 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,1,0,0,0,0|0,0,2]=4 529 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,1,0,0,0,0|0,0,1]=3 530 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,1,0,0,0,0|0,0,0]=2 531 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,1,0,0,0,0|0,0,0]=2 532 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,1,0,0,0,0|1,0,0]=3 533 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,1,0,0,0,0|1,0,0]=3 534 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [1,1,0,0,0,0|1,0,1]=4 535 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [1,1,0,0,0,0|0,0,2]=4 536 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [1,1,0,0,0,0|0,0,2]=4 549 B7R0.11 CCCS(=O)(=O)SC CNP0187882.0 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.11 CCC[Si](Cl)(Cl)CC CNP0172768.0 [1,1,0,0,0,0|1,1,0]=4 551 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.12 CCC=C(CC)CC CNP0530661.0 [1,1,0,0,0,0|1,0,1]=4 554 B7R0.12 CCCC(CC)CC CNP0154770.0 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.12 CCCN(CC)CC CNP0172466.0 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|0,0,0]=2 559 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|1,0,0]=3 561 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|2,0,0]=4 562 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,0]=3 563 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|0,0,0]=2 567 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|0,0,0]=2 568 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|1,0,0]=3 571 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|1,0,0]=3 574 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,1,0,0,0,0|0,0,0]=2 575 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.4 O=P(=O)OCCCO CNP0547512.0 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.4 O=[N+]([O-])OCCCBr CNP0600488.0 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,1,0,0,0,0|1,0,1]=4 582 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|1,0,0]=3 585 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,1,0,0,0,0|0,0,1]=3 586 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|1,0,0]=3 588 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [1,1,0,0,0,0|1,0,1]=4 589 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|0,0,0]=2 590 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [1,1,0,0,0,0|1,0,1]=4 591 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.6 CC(O)COC(C)C CNP0503370.0 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [1,1,0,0,0,0|2,0,0]=4 597 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,1,0,0,0,0|1,0,1]=4 599 B7R0.1 CC=CCCCCC CNP0199237.0 [1,1,0,0,0,0|1,0,1]=4 600 B7R0.1 CC=CCSCCC CNP0536250.0 [1,1,0,0,0,0|0,1,1]=4 601 B7R0.1 CC=CSSCCC CNP0421889.0 [1,1,0,0,0,0|0,1,1]=4 602 B7R0.1 CCC#CCCCC CNP0602501.0 [1,1,0,0,0,0|1,0,1]=4 603 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,1,0,0,0,0|1,0,1]=4 604 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|1,0,1]=4 605 B7R0.1 CCC=CCCCC CNP0084702.0 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.1 CCC=CCCCO CNP0003503.0 [1,1,0,0,0,0|1,0,0]=3 607 B7R0.1 CCCC#CCCC CNP0381743.0 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.1 CCCC=CCCC CNP0541880.0 [1,1,0,0,0,0|1,0,0]=3 610 B7R0.1 CCCC=CCCO CNP0287313.0 [1,1,0,0,0,0|1,0,0]=3 611 B7R0.1 CCCCC=CCO CNP0191159.0 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.1 CCCCCCCC CNP0286567.0 [1,1,0,0,0,0|1,0,1]=4 613 B7R0.1 CCCCCCCN CNP0186919.0 [1,1,0,0,0,0|1,0,1]=4 614 B7R0.1 CCCCCCCO CNP0329737.0 [1,1,0,0,0,0|1,0,1]=4 615 B7R0.1 CCCCCCNC CNP0413437.0 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.1 CCCCCOCC CNP0520137.0 [1,1,0,0,0,0|1,0,1]=4 617 B7R0.1 CCCCNCCO CNP0185911.0 [1,1,0,0,0,0|2,0,0]=4 618 B7R0.1 CCCCOCCO CNP0080154.0 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.1 CCCSSCCC CNP0328321.0 [1,1,0,0,0,0|0,1,1]=4 620 B7R0.1 CCCSSSCC CNP0094065.0 [1,1,0,0,0,0|1,1,0]=4 621 B7R0.1 CCNCCCCN CNP0107714.0 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.1 CCNCCNCC CNP0103183.0 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.1 CCSCSSCC CNP0079298.0 [1,1,0,0,0,0|1,1,0]=4 624 B7R0.1 COCCOCCO CNP0610336.0 [1,1,0,0,0,0|1,0,1]=4 625 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,2,0,0,0,0|0,0,2]=4 626 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,2,0,0,0,0|1,0,1]=4 627 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,2,0,0,0,0|1,0,0]=3 628 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,2,0,0,0,0|1,0,0]=3 629 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,2,0,0,0,0|0,0,1]=3 630 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,2,0,0,0,0|0,0,0]=2 631 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,2,0,0,0,0|1,0,1]=4 633 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,2,0,0,0,0|1,0,1]=4 634 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,2,0,0,0,0|1,0,1]=4 636 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,2,0,0,0,0|0,0,1]=3 637 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|1,0,1]=4 639 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,2,0,0,0,0|1,0,1]=4 640 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|1,0,0]=3 641 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|1,0,0]=3 642 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|1,0,0]=3 643 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,2,0,0,0,0|1,0,0]=3 644 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|0,0,0]=2 645 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,2,0,0,0,0|1,0,1]=4 646 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,2,0,0,0,0|1,0,1]=4 647 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,2,0,0,0,0|1,0,0]=3 648 B9R0.5 O=CCCSC(=O)CCS CNP0552323.0 [0,2,0,0,0,0|0,1,1]=4 649 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,2,0,0,0,0|0,0,1]=3 650 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,2,0,0,0,0|2,0,0]=4 652 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,2,0,0,0,0|1,0,0]=3 653 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,2,0,0,0,0|2,0,0]=4 654 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,2,0,0,0,0|2,0,0]=4 655 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,2,0,0,0,0|0,0,0]=2 656 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [0,2,0,0,0,0|1,1,0]=4 657 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,2,0,0,0,0|2,0,0]=4 658 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,2,0,0,0,0|0,0,2]=4 659 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [0,2,0,0,0,0|0,0,2]=4 660 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,2,0,0,0,0|1,0,0]=3 661 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,2,0,0,0,0|0,0,0]=2 662 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,2,0,0,0,0|2,0,0]=4 663 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [0,2,0,0,0,0|1,0,0]=3 664 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,2,0,0,0,0|0,0,0]=2 665 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,2,0,0,0,0|0,0,0]=2 666 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,2,0,0,0,0|2,0,0]=4 667 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,2,0,0,0,0|2,0,0]=4 668 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,2,0,0,0,0|2,0,0]=4 669 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,2,0,0,0,0|1,0,0]=3 670 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,2,0,0,0,0|1,0,0]=3 671 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,2,0,0,0,0|1,0,1]=4 672 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,2,0,0,0,0|1,0,0]=3 673 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,2,0,0,0,0|1,0,0]=3 674 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,2,0,0,0,0|1,0,0]=3 675 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,2,0,0,0,0|2,0,0]=4 676 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,2,0,0,0,0|0,0,1]=3 677 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,2,0,0,0,0|0,0,1]=3 678 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|1,0,1]=4 679 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,2,0,0,0,0|1,0,0]=3 680 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,2,0,0,0,0|0,0,0]=2 681 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|1,0,0]=3 684 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,2,0,0,0,0|2,0,0]=4 685 B9R0.66 CC=CS(=O)(=S)OCCC CNP0503561.0 [0,2,0,0,0,0|1,0,1]=4 686 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,2,0,0,0,0|2,0,0]=4 687 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,2,0,0,0,0|1,0,0]=3 688 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,2,0,0,0,0|2,0,0]=4 689 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,2,0,0,0,0|2,0,0]=4 690 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,2,0,0,0,0|2,0,0]=4 691 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,2,0,0,0,0|2,0,0]=4 692 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,2,0,0,0,0|1,0,0]=3 693 B9R0.27 CCC(=O)[C@@H](C)[C@@H](O)CC CNP0412913.2 [0,2,0,0,0,0|1,0,0]=3 694 B9R0.27 CCC(=O)[C@H](C)[C@H](O)CC CNP0412913.1 [0,2,0,0,0,0|1,0,0]=3 695 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,2,0,0,0,0|2,0,0]=4 696 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [0,2,0,0,0,0|2,0,0]=4 697 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.37 CCCC(=O)C(=NO)CC CNP0136885.0 [0,2,0,0,0,0|1,0,1]=4 700 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,2,0,0,0,0|0,0,0]=2 702 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [0,2,0,0,0,0|1,0,0]=3 703 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,2,0,0,0,0|1,0,1]=4 704 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,2,0,0,0,0|2,0,0]=4 707 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,2,0,0,0,0|1,0,0]=3 708 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,2,0,0,0,0|1,0,0]=3 709 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,2,0,0,0,0|1,0,0]=3 710 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,2,0,0,0,0|0,0,0]=2 711 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,2,0,0,0,0|2,0,0]=4 712 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,2,0,0,0,0|2,0,0]=4 713 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [0,2,0,0,0,0|0,0,2]=4 715 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,2,0,0,0,0|1,0,0]=3 716 B9R0.46 CCC#CC#CC(=O)CC CNP0279167.0 [0,2,0,0,0,0|1,0,1]=4 717 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,2,0,0,0,0|2,0,0]=4 718 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,2,0,0,0,0|1,0,0]=3 720 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,2,0,0,0,0|0,0,0]=2 722 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,2,0,0,0,0|1,0,0]=3 723 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,2,0,0,0,0|0,0,1]=3 724 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,2,0,0,0,0|1,0,1]=4 725 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,2,0,0,0,0|1,0,0]=3 727 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,2,0,0,0,0|0,0,0]=2 728 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,2,0,0,0,0|0,0,0]=2 729 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,2,0,0,0,0|1,0,0]=3 730 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,2,0,0,0,0|0,0,1]=3 731 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,2,0,0,0,0|0,0,1]=3 732 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [0,2,0,0,0,0|0,0,0]=2 733 B9R0.7 CC(C)COC(=O)[C@@H](N)O CNP0184360.1 [0,2,0,0,0,0|1,0,0]=3 734 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,2,0,0,0,0|1,0,1]=4 735 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,2,0,0,0,0|1,0,1]=4 736 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,2,0,0,0,0|1,0,1]=4 737 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,2,0,0,0,0|0,0,0]=2 738 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [0,2,0,0,0,0|1,0,0]=3 739 B9R0.26 CC/C(=N\O)/C[C@@H](C)CC CNP0382804.1 [0,2,0,0,0,0|1,0,1]=4 740 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|1,0,0]=3 741 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|1,0,1]=4 742 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,1,0,0|0,0,2]=4 743 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|0,0,2]=4 744 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|0,0,2]=4 745 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|0,0,2]=4 746 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|0,0,2]=4 747 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|0,0,0]=2 748 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|0,1,0]=3 749 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,1,0,0|0,0,2]=4 750 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,0]=3 751 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 752 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|0,0,0]=2 753 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,1,0,0|1,0,1]=4 754 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,1,0,0|1,0,1]=4 755 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|1,0,0]=3 756 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|0,0,0]=2 757 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|1,0,0]=3 758 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,1,0,0|1,0,1]=4 759 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,1,0,0|1,0,1]=4 760 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|2,0,0]=4 761 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|2,0,0]=4 762 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|2,0,0]=4 763 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|2,0,0]=4 764 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|2,0,0]=4 765 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|2,0,0]=4 766 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,1,0,0|1,0,1]=4 767 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|1,0,0]=3 768 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|1,0,1]=4 769 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,1]=4 770 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,0,1]=4 771 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,1,0,0|2,0,0]=4 772 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,1,0,0|1,0,1]=4 773 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|0,0,2]=4 774 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|0,0,2]=4 775 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,2]=4 776 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|1,0,1]=4 777 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|0,0,0]=2 778 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,0]=3 779 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,0]=2 780 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|1,0,0]=3 781 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|2,0,0]=4 782 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|0,0,2]=4 783 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 784 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|0,0,2]=4 785 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 786 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|0,0,2]=4 787 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,1,0,0|1,0,1]=4 788 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|0,0,2]=4 789 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,1,0,0|0,0,2]=4 790 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|1,0,0]=3 791 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|1,0,0]=3 792 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|1,0,0]=3 793 B7R1.4 CN1CCOC1=S CNP0208839.0 [1,0,0,1,0,0|1,1,0]=4 794 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|0,0,0]=2 795 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|1,0,1]=4 796 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|1,0,1]=4 797 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|0,0,2]=4 798 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|0,0,0]=2 799 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|1,0,0]=3 800 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|0,0,0]=2 801 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|1,0,1]=4 802 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|0,0,0]=2 803 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|1,0,0]=3 804 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|1,0,0]=3 805 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|1,0,0]=3 806 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,1,0,0|1,1,0]=4 807 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,1,0,0|1,0,1]=4 808 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,1,0,0|2,0,0]=4 809 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|2,0,0]=4 810 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [1,0,0,1,0,0|0,0,2]=4 811 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|0,1,1]=4 812 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,1,0,0|0,0,2]=4 813 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [1,0,0,1,0,0|1,0,0]=3 814 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [1,0,0,1,0,0|1,0,0]=3 815 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [1,0,0,1,0,0|2,0,0]=4 816 B7R1.25 CCC1(CCC1)O CNP0591933.0 [1,0,0,1,0,0|0,0,2]=4 817 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|2,0,0]=4 818 B7R1.23 CCC1OC1(C)C CNP0495056.0 [1,0,0,1,0,0|1,0,1]=4 819 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,1,0,0|1,0,1]=4 820 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|0,0,0]=2 821 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,1,0,0|0,0,0]=2 824 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,1,0,1,0,0|0,0,0]=2 825 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,1,0,1,0,0|0,0,0]=2 826 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,1,0,1,0,0|1,0,1]=4 835 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,1,0,1,0,0|0,0,0]=2 836 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,1,0,1,0,0|1,0,0]=3 837 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [0,1,0,1,0,0|0,0,2]=4 838 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,1,0,1,0,0|1,0,1]=4 839 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,1,0,0|1,0,0]=3 842 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,1,0,1,0,0|1,0,1]=4 843 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|0,0,0]=2 845 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,1,0,1,0,0|1,0,1]=4 846 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,1,0,0|0,0,1]=3 847 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|0,0,2]=4 850 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,1,0,0|1,0,1]=4 851 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|1,0,1]=4 852 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|1,0,0]=3 853 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|0,0,0]=2 854 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|0,0,0]=2 855 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|0,0,0]=2 856 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|0,0,0]=2 857 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|0,0,0]=2 858 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,1,0,1,0,0|1,0,1]=4 859 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,1,0,1,0,0|2,0,0]=4 860 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,1,0,1,0,0|2,0,0]=4 862 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,1,0,1,0,0|1,0,1]=4 863 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.3 CN1CCCN(C1=O)C CNP0493752.0 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|1,0,0]=3 866 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|1,0,0]=3 872 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|0,0,0]=2 873 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,1,0,0|1,0,0]=3 874 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,1,0,1,0,0|1,0,0]=3 875 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,1,0,1,0,0|2,0,0]=4 876 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [0,1,0,1,0,0|0,0,2]=4 877 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,1,0,1,0,0|0,0,2]=4 878 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [0,1,0,1,0,0|0,0,2]=4 879 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,1,0,1,0,0|1,0,1]=4 880 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,1,0,1,0,0|1,0,0]=3 881 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,1,0,0|1,0,0]=3 884 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,1,0,1,0,0|1,0,1]=4 885 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,1,0,0|1,0,0]=3 886 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,1,0,1,0,0|1,0,0]=3 889 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,1,0,1,0,0|1,0,1]=4 890 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,1,0,1,0,0|1,0,1]=4 891 B9R1.80 C=CC(=O)OCC1CO1 CNP0610091.0 [0,1,0,1,0,0|0,0,2]=4 892 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [0,1,0,1,0,0|2,0,0]=4 894 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,1,0,1,0,0|0,0,1]=3 896 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,1,0,1,0,0|0,0,0]=2 898 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,1,0,1,0,0|0,0,2]=4 899 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,1,0,1,0,0|0,0,0]=2 900 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,1,0,1,0,0|2,0,0]=4 901 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,1,0,1,0,0|1,0,1]=4 902 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,1,0,1,0,0|0,0,0]=2 903 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,1,0,1,0,0|0,0,2]=4 904 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,1,0,1,0,0|0,0,2]=4 905 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,1,0,1,0,0|0,0,0]=2 906 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,1,0,1,0,0|1,0,1]=4 907 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [0,1,0,1,0,0|1,0,1]=4 909 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O CNP0303953.1 [0,1,0,1,0,0|1,0,0]=3 910 B9R1.106 C[C@]1(C(=O)OC[C@@H]1O)O CNP0303953.3 [0,1,0,1,0,0|1,0,0]=3 911 B9R1.106 C[C@]1(C(=O)OC[C@H]1O)O CNP0303953.2 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.10 C[C@]1(C=CC(=O)CC1)O CNP0288961.1 [0,1,0,1,0,0|1,0,1]=4 914 B9R1.125 C=CC1(CCC(=O)O1)C CNP0341884.0 [0,1,0,1,0,0|0,0,2]=4 915 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.125 CC[C@@]1(CNC(=S)O1)C CNP0282162.1 [0,1,0,1,0,0|1,1,0]=4 917 B9R1.125 CC[C@]1(CN=C(O1)S)C CNP0535131.1 [0,1,0,1,0,0|1,1,0]=4 918 B9R1.125 CC[C@]1(CNC(=S)O1)C CNP0282162.2 [0,1,0,1,0,0|1,1,0]=4 919 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,1,0,1,0,0|1,0,0]=3 921 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,1,0,1,0,0|2,0,0]=4 922 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|1,0,0]=3 923 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,2,0,0|1,0,1]=4 924 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,2,0,0|2,0,0]=4 925 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,0,0,2,0,0|2,0,0]=4 926 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,2,0,0|1,0,0]=3 927 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|2,0,0]=4 928 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|1,0,0]=3 929 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,2,0,0|2,0,0]=4 930 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,0,0,2,0,0|2,0,0]=4 931 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,0,0,2,0,0|2,0,0]=4