0 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.1 C=CCCCCCO CNP0075956.0 [0,0,0,0,0,0|0,0,4]=4 7 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,0,0,0,0,0|0,0,4]=4 9 B7R0.1 CC=CCCCCC CNP0199237.0 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.1 CC=CCSCCC CNP0536250.0 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 CC=CSSCCC CNP0421889.0 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 CCC#CC=CCO CNP0417978.0 [0,0,0,0,0,0|0,0,4]=4 13 B7R0.1 CCC#CCCCC CNP0602501.0 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,0,0,0,0|0,0,4]=4 15 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,0,0,0,0,0|0,0,2]=2 17 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,0,0,0,0,0|0,0,2]=2 18 B7R0.1 CCC=CCCCC CNP0084702.0 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.1 CCC=CCCCO CNP0003503.0 [0,0,0,0,0,0|0,0,0]=0 20 B7R0.1 CCCC#CCCC CNP0381743.0 [0,0,0,0,0,0|1,0,3]=4 21 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,0,0,0,0|0,0,4]=4 22 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,0,0,0,0,0|0,0,4]=4 23 B7R0.1 CCCC=CCCC CNP0541880.0 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.1 CCCC=CCCO CNP0287313.0 [0,0,0,0,0,0|0,0,2]=2 25 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.1 CCCCC=CCO CNP0191159.0 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.1 CCCCCCC#N CNP0186663.0 [0,0,0,0,0,0|1,0,3]=4 28 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,0,0,0,0|0,0,4]=4 29 B7R0.1 CCCCCCCC CNP0286567.0 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.1 CCCCCCCN CNP0186919.0 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,0,0,0,0|0,0,2]=2 32 B7R0.1 CCCCCCNC CNP0413437.0 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.1 CCCCCOCC CNP0520137.0 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.1 CCCCCSSC CNP0201479.0 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.1 CCCCNCCO CNP0185911.0 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.1 CCCCOCCO CNP0080154.0 [0,0,0,0,0,0|1,0,2]=3 38 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 CCCSSCCC CNP0328321.0 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.1 CCCSSSCC CNP0094065.0 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.1 CCNCCCCN CNP0107714.0 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.1 CCNCCNCC CNP0103183.0 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.1 CCSCSSCC CNP0079298.0 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.1 CNCCCCCN CNP0390055.0 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.1 COCCOCCO CNP0610336.0 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.1 NCCCCCCN CNP0230906.0 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.1 NCCCCCCO CNP0568466.0 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.1 NCCCCCNO CNP0455910.0 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.1 NCCCNCCS CNP0050642.0 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,0,0,0,0,0|1,0,3]=4 51 B7R0.1 OCCCCCCBr CNP0593386.0 [0,0,0,0,0,0|1,0,2]=3 52 B7R0.1 OCCCCCCO CNP0080019.0 [0,0,0,0,0,0|1,0,2]=3 53 B7R0.1 OCCCCCCS CNP0154751.0 [0,0,0,0,0,0|1,0,2]=3 54 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.1 OCCCSCCO CNP0079791.0 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.1 OCCSSCCO CNP0279278.0 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.1 SCCCCCCS CNP0089642.0 [0,0,0,0,0,0|1,1,2]=4 58 B6R0.6 C#CCCCCO CNP0289179.0 [1,0,0,0,0,0|0,0,3]=4 59 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.6 C=CCOCCO CNP0248950.0 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 CC#CC=CCO CNP0610509.0 [1,0,0,0,0,0|0,0,3]=4 66 B6R0.6 CC#CCCCO CNP0320046.0 [1,0,0,0,0,0|0,0,2]=3 67 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,0,0,0,0|0,0,2]=3 68 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,0,0,0,0|0,0,2]=3 69 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,0,0,0,0|0,0,2]=3 70 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|0,0,0]=1 72 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|0,0,2]=3 76 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,0,0,0,0|0,0,2]=3 77 B6R0.6 CCC=CCC#N CNP0106706.0 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|0,0,2]=3 79 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|0,0,0]=1 80 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|0,0,0]=1 81 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,0,0,0,0,0|1,1,1]=4 82 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|0,0,3]=4 83 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|1,0,2]=4 88 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|0,0,3]=4 90 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|0,0,2]=3 91 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|1,0,1]=3 92 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|0,0,1]=2 93 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|0,1,1]=3 94 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|0,0,2]=3 95 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|1,0,2]=4 97 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|1,0,2]=4 98 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|1,1,1]=4 99 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|1,0,1]=3 103 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|1,0,1]=3 104 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.6 CCCSSSC CNP0104471.0 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|1,0,0]=2 108 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|1,1,0]=3 109 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|1,0,0]=2 110 B6R0.6 CCSSCSC CNP0003140.0 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.6 CCSSSCC CNP0196220.0 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.6 CNCCCCN CNP0157274.0 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.6 COCCCCO CNP0570905.0 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.6 CSCCCCO CNP0002400.0 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.6 NCCCCCN CNP0184259.0 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.6 NCCCCCO CNP0032450.0 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.6 OCCCCCO CNP0201249.0 [1,0,0,0,0,0|1,0,1]=3 119 B6R0.6 OCCCN=C=S CNP0612043.0 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.6 OCCNCCO CNP0247543.0 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.6 OCCOCCO CNP0333860.0 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.6 OCCSCCO CNP0335773.0 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,0,0,0,0|1,0,1]=3 125 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,0,0,0,0|1,0,1]=3 127 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,1,0,0,0,0|0,0,2]=3 132 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,0,0,0,0|1,0,0]=2 134 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,1,0,0,0,0|1,0,2]=4 137 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,1,0,0,0,0|0,0,3]=4 138 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.4 CC=CC#CCCCC CNP0343796.0 [0,1,0,0,0,0|1,0,2]=4 140 B8R0.4 CC=CC#CCCCO CNP0536748.0 [0,1,0,0,0,0|0,0,2]=3 141 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,1,0,0,0,0|0,0,1]=2 142 B8R0.4 CC=CCCC=CCO CNP0076887.0 [0,1,0,0,0,0|0,0,3]=4 143 B8R0.4 CC=CCCCCC=O CNP0181844.0 [0,1,0,0,0,0|0,0,3]=4 144 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,1,0,0,0,0|1,0,2]=4 145 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,1,0,0,0,0|0,0,2]=3 146 B8R0.4 CC=CSSCCCC CNP0612155.0 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,1,0,0,0,0|0,0,1]=2 148 B8R0.4 CCC=CCC=CCO CNP0338368.0 [0,1,0,0,0,0|0,0,1]=2 149 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,1,0,0,0,0|0,0,1]=2 150 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,1,0,0,0,0|0,0,0]=1 152 B8R0.4 CCC=CCCOC=O CNP0053041.0 [0,1,0,0,0,0|0,0,2]=3 153 B8R0.4 CCCC#CCCCC CNP0399647.0 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,1,0,0,0,0|0,0,2]=3 155 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,1,0,0,0,0|0,0,0]=1 157 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,1,0,0,0,0|1,0,1]=3 159 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,1,0,0,0,0|0,0,3]=4 164 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,1,0,0,0,0|0,0,3]=4 165 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,1,0,0,0,0|0,0,3]=4 167 B8R0.4 CCCCCCCCC CNP0402619.0 [0,1,0,0,0,0|1,0,2]=4 168 B8R0.4 CCCCCCCCN CNP0065900.0 [0,1,0,0,0,0|1,0,2]=4 169 B8R0.4 CCCCCCCCO CNP0368614.0 [0,1,0,0,0,0|0,0,2]=3 170 B8R0.4 CCCCCCCNC CNP0216624.0 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.4 CCCCCCCOO CNP0566054.0 [0,1,0,0,0,0|0,0,2]=3 172 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,1,0,0,0,0|0,0,3]=4 173 B8R0.4 CCCCCCOCC CNP0609034.0 [0,1,0,0,0,0|1,0,2]=4 174 B8R0.4 CCCCNCCCC CNP0203128.0 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.4 CCCCOCCCC CNP0077266.0 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.4 CCCCOCCCO CNP0141373.0 [0,1,0,0,0,0|0,0,2]=3 177 B8R0.4 CCCCSCCCC CNP0370059.0 [0,1,0,0,0,0|1,0,2]=4 178 B8R0.4 CCCCSSCCC CNP0003137.0 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.4 CCNCCCNCC CNP0239670.0 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.4 CCOCCOCCO CNP0079970.0 [0,1,0,0,0,0|1,0,1]=3 181 B8R0.4 CSC=CCCN=C=S CNP0268279.0 [0,1,0,0,0,0|1,1,1]=4 182 B8R0.4 NCCCNCCCN CNP0609056.0 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.4 NCCCOCCCN CNP0453820.0 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.4 OCCSSSCCO CNP0187126.0 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [0,1,0,0,0,0|1,0,2]=4 186 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,0,0,0,0|1,0,2]=4 192 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|1,0,1]=3 198 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|0,0,3]=4 199 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,0,0,0,0|1,0,2]=4 202 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,0,0,0,0|1,0,2]=4 204 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,1,0,0,0,0|0,0,2]=3 205 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,0,0,0,0|0,0,2]=3 207 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,0,0,0,0|0,0,2]=3 208 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,0,0,0,0|0,0,3]=4 209 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,1,0,0,0,0|1,0,2]=4 210 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,0,0,0,0|0,0,2]=3 211 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,1,0,0,0,0|1,0,1]=3 212 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,1,0,0,0,0|0,0,2]=3 213 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,1,0,0,0,0|0,0,3]=4 214 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,0,0,0,0|0,0,3]=4 216 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,0,0,0,0|0,0,2]=3 217 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,0,0,0,0|0,0,2]=3 218 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,0,0,0,0|0,0,1]=2 219 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,0,0,0,0|1,0,1]=3 221 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,1,0,0,0,0|1,0,0]=2 223 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,0,0,0,0|1,0,2]=4 224 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,0,0,0,0|1,0,2]=4 225 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,0,0,0,0|0,0,3]=4 226 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,0,0,0,0|1,0,2]=4 227 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,1,0,0,0,0|1,0,2]=4 228 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,1,0,0,0,0|0,0,2]=3 229 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,1,0,0,0,0|1,0,2]=4 230 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,1,0,0,0,0|0,0,2]=3 231 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,0,0,0,0|1,0,2]=4 232 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,1,0,0,0,0|1,0,2]=4 233 B8R0.7 CCCCSSC(C)C CNP0003138.0 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,1,0,0,0,0|2,0,0]=3 235 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.7 C[S@+]([O-])/C=C/CCC#N CNP0547221.1 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.7 C[S@H+]([O-])/C=C/CCC#N CNP0521375.1 [0,1,0,0,0,0|2,0,1]=4 238 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,0,0,1,0,0|1,0,2]=4 239 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,0,0,1,0,0|1,0,2]=4 240 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,0,1,0,0|1,0,0]=2 241 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,0,0,1,0,0|1,0,2]=4 242 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [0,0,0,1,0,0|3,0,0]=4 243 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,0,0,1,0,0|0,0,2]=3 244 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,1,0,0|1,0,2]=4 245 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,0,0,1,0,0|0,0,2]=3 246 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,0,0,1,0,0|2,0,0]=3 247 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,0,0,1,0,0|1,0,2]=4 248 B8R1.2 NCC1CCOCC1 CNP0398955.0 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,0,0,1,0,0|0,0,2]=3 251 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,0,0,1,0,0|0,0,2]=3 252 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,0,0,1,0,0|0,0,2]=3 254 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,0,0,1,0,0|1,0,2]=4 255 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,0,0,1,0,0|0,0,0]=1 256 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,0,0,1,0,0|1,0,1]=3 257 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,0,0,1,0,0|0,0,0]=1 258 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,0,0,1,0,0|1,0,2]=4 259 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,0,0,1,0,0|1,0,1]=3 260 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,0,0,1,0,0|0,0,2]=3 261 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,0,1,0,0|0,0,2]=3 262 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,0,0,1,0,0|1,0,2]=4 263 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,0,0,1,0,0|1,0,2]=4 265 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,0,0,1,0,0|1,0,2]=4 266 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,0,0,1,0,0|1,0,2]=4 267 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,0,0,1,0,0|1,0,2]=4 268 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,0,0,1,0,0|1,0,1]=3 269 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [0,0,0,1,0,0|1,0,2]=4 270 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,0,0,1,0,0|1,0,2]=4 272 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,0,0,1,0,0|1,0,2]=4 274 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [0,0,0,1,0,0|1,0,2]=4 275 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,0,0,1,0,0|1,0,2]=4 276 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,0,0,1,0,0|1,0,0]=2 277 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,0,0,1,0,0|1,0,2]=4 278 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,0,0,1,0,0|3,0,0]=4 279 B8R1.8 CCCN1OCCO1 CNP0257167.0 [0,0,0,1,0,0|2,0,1]=4 280 B8R1.8 NCCC1CN=CN1 CNP0562963.0 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,1,0,0|1,0,2]=4 282 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,0,0,1,0,0|1,0,2]=4 283 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [0,0,0,1,0,0|2,0,1]=4 284 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,0,0,1,0,0|1,0,2]=4 285 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,0,0,1,0,0|1,0,2]=4 286 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,0,0,1,0,0|0,0,2]=3 287 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,0,0,1,0,0|2,0,1]=4 288 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,0,0,1,0,0|1,0,2]=4 289 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,0,0,1,0,0|2,0,1]=4 290 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [0,0,0,1,0,0|2,0,1]=4 291 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|1,0,2]=4 292 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,0,1,0,0|1,0,2]=4 293 B8R1.36 CCCOCC1CO1 CNP0085753.0 [0,0,0,1,0,0|1,0,1]=3 294 B8R1.49 C1#CCCC=CCC1 CNP0593767.0 [0,0,0,1,0,0|1,0,1]=3 295 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,0,0,1,0,0|1,0,2]=4 296 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,1,0,0|1,0,0]=2 297 B5R0.2 C=CC=CCC CNP0495438.0 [2,0,0,0,0,0|0,0,2]=4 298 B5R0.2 C=CCC=CC CNP0292090.0 [2,0,0,0,0,0|0,0,2]=4 299 B5R0.2 C=CCCC#N CNP0248596.0 [2,0,0,0,0,0|1,0,1]=4 300 B5R0.2 C=CCCC=C CNP0079781.0 [2,0,0,0,0,0|1,0,1]=4 301 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|0,0,2]=4 302 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|0,0,0]=2 304 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|2,0,0]=4 305 B5R0.2 CC#CCCO CNP0515871.0 [2,0,0,0,0,0|0,0,2]=4 306 B5R0.2 CC=C=CCO CNP0426440.0 [2,0,0,0,0,0|0,0,2]=4 307 B5R0.2 CC=CC=CC CNP0611428.0 [2,0,0,0,0,0|0,0,2]=4 308 B5R0.2 CC=CCC#N CNP0080085.0 [2,0,0,0,0,0|1,0,1]=4 309 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,2]=4 310 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,0]=2 311 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|0,0,0]=2 312 B5R0.2 CC=CSSC CNP0214071.0 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.2 CCC#CCO CNP0076027.0 [2,0,0,0,0,0|0,0,2]=4 314 B5R0.2 CCC=CC#N CNP0080058.0 [2,0,0,0,0,0|1,0,1]=4 315 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,2]=4 316 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|0,0,0]=2 317 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.2 CCC=CSO CNP0458289.0 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.2 CCC=NNC CNP0543863.0 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|1,0,1]=4 322 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 323 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,2]=4 324 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,1]=3 326 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,0]=3 327 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,0]=2 329 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,1,0]=3 330 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,1]=4 331 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,0,1]=4 334 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|1,0,0]=3 339 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,0,0]=3 340 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.2 CCSSCC CNP0416624.0 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.2 COC=COC CNP0416791.0 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.2 CSC=CSC CNP0075985.0 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|1,0,0]=3 346 B5R0.2 N#CCCCO CNP0358912.0 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.2 NCCCCN CNP0116270.0 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.2 NCCCCO CNP0514594.0 [2,0,0,0,0,0|1,0,0]=3 350 B5R0.2 O=CC=CCO CNP0112016.0 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.2 OCC=CCO CNP0296138.0 [2,0,0,0,0,0|1,0,0]=3 352 B5R0.2 OCCCCBr CNP0083982.0 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.2 OCCCCCl CNP0079807.0 [2,0,0,0,0,0|1,0,0]=3 354 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|2,0,0]=4 357 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|0,0,1]=3 358 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,1,0,0,0,0|0,0,2]=4 359 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|1,0,0]=3 363 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|0,0,1]=3 364 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|0,0,1]=3 365 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|0,0,0]=2 366 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|0,0,1]=3 367 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|0,0,1]=3 369 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,1,0,0,0,0|0,0,1]=3 370 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|0,0,2]=4 371 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|0,0,2]=4 372 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|0,0,1]=3 373 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,1,0,0,0,0|0,0,2]=4 374 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,1,0,0,0,0|1,0,1]=4 376 B7R0.3 CCSSC(C)CC CNP0075907.0 [1,1,0,0,0,0|2,0,0]=4 377 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [1,1,0,0,0,0|1,0,0]=3 378 B7R0.3 COCC=C(C)CO CNP0311126.0 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.3 CON=CC(O)CO CNP0082054.0 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [1,1,0,0,0,0|1,0,1]=4 381 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|0,0,2]=4 384 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|1,1,0]=4 385 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,1,0,0,0,0|0,0,1]=3 386 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,1,0,0,0,0|0,0,1]=3 387 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,1,0,0,0,0|0,0,0]=2 388 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,1,0,0,0,0|0,0,0]=2 389 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,1,0,0,0,0|0,0,0]=2 390 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,1,0,0,0,0|0,0,1]=3 391 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|0,0,1]=3 392 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|0,0,1]=3 393 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|0,0,1]=3 394 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|0,0,2]=4 397 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|0,0,2]=4 398 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,1,0,0,0,0|0,0,2]=4 399 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|0,0,2]=4 400 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,1,0,0,0,0|0,0,2]=4 401 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,1,0,0,0,0|0,0,1]=3 402 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,1,0,0,0,0|0,0,2]=4 403 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,1,0,0,0,0|0,0,2]=4 404 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,1,0,0,0,0|0,0,1]=3 405 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,1,0,0,0,0|0,0,2]=4 406 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|2,0,0]=4 407 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.4 CCCSSC(C)C CNP0309421.0 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,1,0,0,0,0|1,0,1]=4 411 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.4 CSSC=CC(C)C CNP0002674.0 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.4 N=C(N)NCCCO CNP0451152.0 [1,1,0,0,0,0|2,0,0]=4 416 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,1,0,0,0,0|1,0,1]=4 418 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,1,0,0,0,0|0,0,1]=3 419 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,1,0,0,0,0|2,0,0]=4 420 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,1,0,0,0,0|0,0,2]=4 421 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,1,0,0,0,0|0,0,1]=3 423 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|1,0,0]=3 426 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|0,0,0]=2 427 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,1,0,0,0,0|0,0,1]=3 428 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,1,0,0,0,0|1,0,0]=3 429 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,1,0,0,0,0|1,0,0]=3 430 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,1,0,0,0,0|0,0,2]=4 431 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,1,0,0,0,0|0,0,2]=4 432 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,1,0,0,0,0|0,0,1]=3 433 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,1,0,0,0,0|1,0,1]=4 434 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,1,0,0,0,0|0,0,1]=3 435 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,1,0,0,0,0|0,0,1]=3 436 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,1,0,0,0,0|0,0,1]=3 438 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,1,0,0,0,0|1,1,0]=4 439 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.7 OCCC(O)CCO CNP0198973.0 [1,1,0,0,0,0|1,0,1]=4 443 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,2,0,0,0,0|1,0,1]=4 444 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,2,0,0,0,0|2,0,0]=4 445 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,2,0,0,0,0|2,0,0]=4 446 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,2,0,0,0,0|1,0,1]=4 447 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,2,0,0,0,0|1,0,1]=4 448 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|1,0,1]=4 449 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [0,2,0,0,0,0|0,0,0]=2 450 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,2,0,0,0,0|0,0,2]=4 451 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|0,0,2]=4 454 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,2,0,0,0,0|1,0,1]=4 455 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,2,0,0,0,0|0,0,2]=4 456 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|1,0,1]=4 457 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,2,0,0,0,0|2,0,0]=4 458 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,2,0,0,0,0|1,1,0]=4 459 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|2,0,0]=4 460 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,2,0,0,0,0|1,0,1]=4 461 B9R0.8 CCCC[C@@H](O)[C@H](O)CO CNP0487375.1 [0,2,0,0,0,0|0,0,2]=4 462 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,2,0,0,0,0|1,0,1]=4 463 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,2,0,0,0,0|1,0,1]=4 464 B9R0.18 CSC=CC(=O)NCCO CNP0211261.0 [0,2,0,0,0,0|1,0,1]=4 465 B9R0.34 CCC=C(C)C=C(C)CO CNP0110428.0 [0,2,0,0,0,0|0,0,2]=4 466 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,2,0,0,0,0|2,0,0]=4 467 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,2,0,0,0,0|2,0,0]=4 468 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,2,0,0,0,0|2,0,0]=4 469 B9R0.34 COC(=O)C=C(C)CCO CNP0161567.0 [0,2,0,0,0,0|1,0,1]=4 470 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,2,0,0,0,0|1,0,1]=4 471 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,2,0,0,0,0|2,0,0]=4 472 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|1,0,1]=4 473 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|2,0,0]=4 474 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,2,0,0,0,0|0,0,2]=4 475 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,2,0,0,0,0|0,0,2]=4 476 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,2,0,0,0,0|0,0,2]=4 477 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,2,0,0,0,0|0,0,0]=2 478 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,2,0,0,0,0|0,0,2]=4 479 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,2,0,0,0,0|0,0,2]=4 480 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,2,0,0,0,0|0,0,1]=3 481 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,2,0,0,0,0|1,0,1]=4 482 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,2,0,0,0,0|1,0,1]=4 483 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,2,0,0,0,0|1,0,1]=4 484 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,2,0,0,0,0|0,0,2]=4 485 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,2,0,0,0,0|0,0,2]=4 486 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,2,0,0,0,0|0,0,2]=4 487 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,2,0,0,0,0|0,0,2]=4 488 B9R0.45 C#CC#CC=CCCCO CNP0251113.0 [0,2,0,0,0,0|0,0,2]=4 489 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,2,0,0,0,0|0,0,2]=4 490 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [0,2,0,0,0,0|0,0,2]=4 492 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [0,2,0,0,0,0|0,0,0]=2 493 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,2,0,0,0,0|0,0,2]=4 494 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [0,2,0,0,0,0|0,0,0]=2 495 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [0,2,0,0,0,0|0,0,1]=3 496 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,2,0,0,0,0|1,0,0]=3 497 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,2,0,0,0,0|0,0,0]=2 498 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,2,0,0,0,0|1,0,0]=3 499 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,2,0,0,0,0|0,0,2]=4 500 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [0,2,0,0,0,0|1,0,0]=3 501 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,2,0,0,0,0|1,0,1]=4 502 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,2,0,0,0,0|1,0,0]=3 503 B9R0.45 CCCCCCC#CCO CNP0485953.0 [0,2,0,0,0,0|0,0,2]=4 504 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,2,0,0,0,0|0,0,2]=4 505 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,2,0,0,0,0|0,0,2]=4 506 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,2,0,0,0,0|0,0,2]=4 507 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,2,0,0,0,0|0,0,2]=4 508 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,2,0,0,0,0|0,0,2]=4 509 B9R0.45 CCCCCCCOC=O CNP0272781.0 [0,2,0,0,0,0|0,0,2]=4 510 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,2,0,0,0,0|0,0,2]=4 511 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,2,0,0,0,0|0,0,2]=4 512 B9R0.45 CCOCCOCCOC CNP0567615.0 [0,2,0,0,0,0|1,0,1]=4 513 B9R0.45 NCCCC=NCCCN CNP0087319.0 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,2,0,0,0,0|0,0,2]=4 515 B9R0.45 OCCCSSCCCO CNP0182015.0 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.45 OCCOCCOCCO CNP0560711.0 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,2,0,0,0,0|1,0,1]=4 518 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,2,0,0,0,0|0,0,2]=4 519 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,2,0,0,0,0|0,0,2]=4 520 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,2,0,0,0,0|0,0,2]=4 521 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,2,0,0,0,0|0,0,1]=3 522 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,2,0,0,0,0|1,0,1]=4 523 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,2,0,0,0,0|1,0,1]=4 524 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,2,0,0,0,0|0,0,2]=4 525 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,2,0,0,0,0|0,0,2]=4 526 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,2,0,0,0,0|0,0,2]=4 527 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,2,0,0,0,0|0,0,2]=4 528 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,2,0,0,0,0|0,0,2]=4 529 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,2,0,0,0,0|1,0,1]=4 530 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,2,0,0,0,0|0,0,2]=4 531 B9R0.46 NCCCSC[C@H](N)CO CNP0509719.1 [0,2,0,0,0,0|1,0,1]=4 532 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [0,2,0,0,0,0|0,0,2]=4 533 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,2,0,0,0,0|0,0,2]=4 534 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,2,0,0,0,0|0,0,2]=4 535 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,2,0,0,0,0|1,0,1]=4 536 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,2,0,0,0,0|2,0,0]=4 537 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,2,0,0,0,0|0,0,2]=4 539 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,2,0,0,0,0|1,0,1]=4 540 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,2,0,0,0,0|1,0,1]=4 541 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,2,0,0,0,0|2,0,0]=4 542 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,2,0,0,0,0|1,0,1]=4 543 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,2,0,0,0,0|0,0,2]=4 544 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,2,0,0,0,0|0,0,2]=4 545 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,2,0,0,0,0|0,0,2]=4 546 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,2,0,0,0,0|2,0,0]=4 547 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,2,0,0,0,0|2,0,0]=4 548 B9R0.47 NC/C=C/C[C@H](N)C(=O)O CNP0332600.1 [0,2,0,0,0,0|1,0,1]=4 549 B9R0.50 C=CC(CC)CC=CCC CNP0580048.0 [0,2,0,0,0,0|1,0,0]=3 550 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,2,0,0,0,0|1,0,0]=3 551 B9R0.38 CCCCC=CC(C)(C)O CNP0348905.0 [0,2,0,0,0,0|1,0,0]=3 552 B9R0.38 C[N+](C)(C)C=CCCCN CNP0070783.0 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [0,2,0,0,0,0|1,0,1]=4 554 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,2,0,0,0,0|0,0,2]=4 555 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,2,0,0,0,0|0,0,1]=3 556 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,1,0,0|0,0,2]=4 557 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|0,0,0]=2 558 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|0,0,2]=4 559 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,1,0,0|1,0,1]=4 560 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,0,0,1,0,0|1,0,1]=4 561 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,0,0,1,0,0|1,0,1]=4 562 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,0,0,1,0,0|1,0,1]=4 563 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,0,0,1,0,0|1,0,1]=4 564 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,1,0,0|1,0,1]=4 565 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,1,0,0|0,0,2]=4 566 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,1,0,0|0,0,2]=4 567 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|1,0,0]=3 568 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|0,0,2]=4 569 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|0,0,1]=3 570 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,1,0,0|1,0,1]=4 571 B7R1.3 CC1CCOCO1 CNP0130543.0 [1,0,0,1,0,0|1,0,1]=4 572 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|0,0,0]=2 573 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,1,0,0|1,0,1]=4 574 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [1,0,0,1,0,0|1,0,0]=3 575 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,1,0,0|1,0,1]=4 576 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,1,0,0|1,0,1]=4 577 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [1,0,0,1,0,0|2,0,0]=4 578 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 579 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|0,0,2]=4 580 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|1,0,1]=4 581 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.3 OC1CC=CCC1 CNP0198711.0 [1,0,0,1,0,0|0,0,0]=2 583 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|0,0,1]=3 584 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|1,0,0]=3 585 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|1,0,0]=3 586 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|2,0,0]=4 587 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|0,0,2]=4 588 B7R1.4 CC1OCCC1O CNP0002607.0 [1,0,0,1,0,0|1,0,0]=3 589 B7R1.4 CC1OCCC1S CNP0002942.0 [1,0,0,1,0,0|1,1,0]=4 590 B7R1.4 CC1SCCC1O CNP0179885.0 [1,0,0,1,0,0|1,0,0]=3 591 B7R1.4 CC1SCCC1S CNP0002610.0 [1,0,0,1,0,0|1,1,0]=4 592 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|0,0,2]=4 593 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|0,0,2]=4 594 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|0,0,1]=3 595 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|0,0,2]=4 597 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|2,0,0]=4 598 B7R1.4 OC1CCCC1O CNP0519159.0 [1,0,0,1,0,0|1,0,1]=4 599 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [1,0,0,1,0,0|1,0,1]=4 600 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|0,1,1]=4 601 B7R1.7 CC=CCN1CC1 CNP0584372.0 [1,0,0,1,0,0|2,0,0]=4 602 B7R1.7 CCCCC1CO1 CNP0608682.0 [1,0,0,1,0,0|0,0,1]=3 603 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,1,0,0|0,0,1]=3 604 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,1,0,0|0,0,2]=4 605 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,1,0,0|0,0,2]=4 606 B7R1.24 C1COCOCO1 CNP0076298.0 [1,0,0,1,0,0|2,0,0]=4 607 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,1,0,0|1,0,1]=4 608 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.8 CC#CC1=CCCCC1 CNP0572321.0 [0,1,0,1,0,0|1,0,1]=4 610 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [0,1,0,1,0,0|1,0,1]=4 611 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,1,0,1,0,0|1,0,1]=4 613 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,1,0,1,0,0|0,0,0]=2 614 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [0,1,0,1,0,0|0,0,2]=4 615 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [0,1,0,1,0,0|0,0,2]=4 616 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [0,1,0,1,0,0|0,0,2]=4 617 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,1,0,1,0,0|0,0,2]=4 619 B9R1.12 NCCCN1C=CCC1 CNP0592244.0 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,1,0,1,0,0|0,0,2]=4 623 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,1,0,1,0,0|1,0,0]=3 624 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|1,0,1]=4 625 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|1,0,1]=4 627 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|1,0,1]=4 628 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,1,0,0|1,0,1]=4 629 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|1,0,1]=4 630 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|1,0,1]=4 631 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.69 C[C@@H]1O[C@H](CC[C@@H]1O)O CNP0422647.2 [0,1,0,1,0,0|1,0,1]=4 634 B9R1.69 C[C@@H]1O[C@H](CC[C@H]1O)O CNP0422647.1 [0,1,0,1,0,0|1,0,1]=4 635 B9R1.69 C[C@H]1O[C@H](CC[C@@H]1O)O CNP0422647.3 [0,1,0,1,0,0|1,0,1]=4 636 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|1,0,1]=4 637 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [0,1,0,1,0,0|0,0,2]=4 640 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,1,0,0|1,0,1]=4 641 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,1,0,1,0,0|0,0,2]=4 643 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,1,0,1,0,0|0,0,2]=4 644 B9R1.3 C[C@H]1NCC[C@H]([C@@H]1O)O CNP0174732.1 [0,1,0,1,0,0|1,0,1]=4 645 B9R1.3 C[C@H]1OC=C[C@H]([C@H]1O)O CNP0387564.1 [0,1,0,1,0,0|1,0,1]=4 646 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.3 OC1=NCC[C@@H]([C@H]1O)O CNP0125833.1 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.11 CCC(C)C1C=COC1 CNP0612000.0 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,1,0,1,0,0|1,0,1]=4 656 B9R1.6 CC(C)C1CC=CCC1 CNP0550039.0 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,1,0,1,0,0|1,0,1]=4 658 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,1,0,1,0,0|1,0,1]=4 659 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,1,0,1,0,0|0,0,1]=3 660 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,1,0,1,0,0|1,0,1]=4 662 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,1,0,1,0,0|0,0,1]=3 663 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,1,0,1,0,0|0,0,1]=3 664 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [0,1,0,1,0,0|1,0,1]=4 665 B9R1.40 C[C@]1(CCCC[C@@H]1O)Cl CNP0062088.1 [0,1,0,1,0,0|0,0,2]=4 666 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [0,1,0,1,0,0|0,0,2]=4 667 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,1,0,1,0,0|1,0,1]=4 668 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [0,1,0,1,0,0|1,0,1]=4 669 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,1,0,1,0,0|0,0,2]=4 670 B9R2.24 OC1C2C=CC1CC2 CNP0612200.0 [0,0,0,2,0,0|0,0,2]=4 671 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,2,0,0|0,0,2]=4 672 B9R2.19 OC1C=CC2CC1C2 CNP0085871.0 [0,0,0,2,0,0|2,0,0]=4 673 B9R2.39 OC1CC2C=CC1C2 CNP0506410.0 [0,0,0,2,0,0|0,0,0]=2