0 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C=CCSSC=CC CNP0226902.0 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.1 C=CCSSCC=C CNP0311793.0 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.1 C=CCSSCCC CNP0170059.0 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.1 C=CCSSSSC CNP0120884.0 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 CC=CCCCCC CNP0199237.0 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 CC=CCSCCC CNP0536250.0 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 CC=CSSC=CC CNP0204440.0 [0,0,0,0,0,0|0,0,4]=4 9 B7R0.1 CC=CSSCCC CNP0421889.0 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.1 CC=CSSSSC CNP0003491.0 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 CCC#CC#CCC CNP0524178.0 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 CCC#CCCCC CNP0602501.0 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 CCC=CCCCC CNP0084702.0 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 CCC=CCCCO CNP0003503.0 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 CCCC#CCCC CNP0381743.0 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 CCCC=CCCC CNP0541880.0 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.1 CCCC=CCCO CNP0287313.0 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.1 CCCCC=CCO CNP0191159.0 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.1 CCCCCCC#N CNP0186663.0 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 CCCCCCCC CNP0286567.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.1 CCCCCCCN CNP0186919.0 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.1 CCCCCCNC CNP0413437.0 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.1 CCCCCOCC CNP0520137.0 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.1 CCCCCSSC CNP0201479.0 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.1 CCCCNCCO CNP0185911.0 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.1 CCCCOCCO CNP0080154.0 [0,0,0,0,0,0|2,1,0]=3 31 B7R0.1 CCCSSCCC CNP0328321.0 [0,0,0,0,0,0|0,0,0]=0 32 B7R0.1 CCCSSSCC CNP0094065.0 [0,0,0,0,0,0|1,0,0]=1 33 B7R0.1 CCCSSSSC CNP0552237.0 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.1 CCNCCCCN CNP0107714.0 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.1 CCNCCNCC CNP0103183.0 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.1 CCSCSSCC CNP0079298.0 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.1 CNCCCCCN CNP0390055.0 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.1 CNCCCCNC CNP0145070.0 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.1 COCCOCCO CNP0610336.0 [0,0,0,0,0,0|3,1,0]=4 40 B7R0.1 CSCSSCSC CNP0179583.0 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.1 CSSSSSSC CNP0003496.0 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.1 NCCCCCCN CNP0230906.0 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.1 NCCCCCCO CNP0568466.0 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.1 NCCCNCCS CNP0050642.0 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.1 NCCSSCCN CNP0340186.0 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.1 OCCCCCCBr CNP0593386.0 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.1 OCCCCCCO CNP0080019.0 [0,0,0,0,0,0|4,0,0]=4 48 B7R0.1 OCCCCCCS CNP0154751.0 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.1 OCCCSCCO CNP0079791.0 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.1 OCCSSCCO CNP0279278.0 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.1 SCCCCCCS CNP0089642.0 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|0,0,2]=3 54 B6R0.6 C=CCSSSC CNP0338885.0 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.6 CC=CSSSC CNP0265306.0 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|1,1,0]=3 80 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|0,0,0]=1 81 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|0,0,0]=1 82 B6R0.6 CCCSSSC CNP0104471.0 [1,0,0,0,0,0|1,0,0]=2 83 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|2,1,0]=4 84 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|2,1,0]=4 85 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.6 CCSSCSC CNP0003140.0 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.6 CCSSSCC CNP0196220.0 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.6 CNCCCCN CNP0157274.0 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.6 COCCCCO CNP0570905.0 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.6 CSCCCCO CNP0002400.0 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.6 CSSSSSC CNP0351120.0 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.6 ClCCOCCCl CNP0082891.0 [1,0,0,0,0,0|2,1,0]=4 93 B6R0.6 NCCCCCN CNP0184259.0 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.6 NCCCCCO CNP0032450.0 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.6 NCCOCCN CNP0447264.0 [1,0,0,0,0,0|2,1,0]=4 96 B6R0.6 OCCCCCO CNP0201249.0 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.6 OCCNCCO CNP0247543.0 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.6 OCCOCCO CNP0333860.0 [1,0,0,0,0,0|2,1,0]=4 99 B6R0.6 OCCSCCO CNP0335773.0 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.1 C/C=C/S[S@@+]([O-])CCC CNP0575690.1 [0,1,0,0,0,0|0,0,3]=4 101 B8R0.1 C/C=C/S[S@@H+]([O-])CCC CNP0552206.2 [0,1,0,0,0,0|0,0,3]=4 102 B8R0.1 C/C=C\S[S@@+]([O-])CCC CNP0575690.2 [0,1,0,0,0,0|0,0,3]=4 103 B8R0.1 C/C=C\S[S@@H+]([O-])CCC CNP0552206.1 [0,1,0,0,0,0|0,0,3]=4 104 B8R0.1 C=CCS[S+]([O-])CCC CNP0600952.0 [0,1,0,0,0,0|0,0,3]=4 105 B8R0.1 C=CC[S+]([O-])SCCC CNP0550050.0 [0,1,0,0,0,0|0,0,3]=4 106 B8R0.1 CC=C[S+]([O-])SCCC CNP0526768.0 [0,1,0,0,0,0|0,0,3]=4 107 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,0,0,0,0|2,1,0]=4 108 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,1,0,0,0,0|3,0,0]=4 109 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,0,0,0,0|3,0,0]=4 111 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,0,0,0,0|1,1,0]=3 114 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,1,0,0,0,0|2,1,0]=4 115 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,1,0,0,0,0|0,0,1]=2 116 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,1,0,0,0,0|0,0,1]=2 117 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,1,0,0,0,0|3,0,0]=4 118 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.1 CCSSC(C)SCC CNP0380817.0 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.1 CSCS[S@+]([O-])CSC CNP0525451.1 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.1 CSCS[S@H+]([O-])CSC CNP0514664.1 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.4 C=CCSSSCCC CNP0080526.0 [0,1,0,0,0,0|0,0,2]=3 125 B8R0.4 CC#CCCCCCC CNP0610539.0 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.4 CC=CSSCCCC CNP0612155.0 [0,1,0,0,0,0|0,0,2]=3 128 B8R0.4 CC=CSSSCCC CNP0003371.0 [0,1,0,0,0,0|0,0,2]=3 129 B8R0.4 CCC#CC#CCCC CNP0247729.0 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.4 CCCC#CCCCC CNP0399647.0 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.4 CCCCCCCCC CNP0402619.0 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.4 CCCCCCCCN CNP0065900.0 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.4 CCCCCCCCO CNP0368614.0 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.4 CCCCCCCNC CNP0216624.0 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.4 CCCCCCCOO CNP0566054.0 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.4 CCCCCCOCC CNP0609034.0 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.4 CCCCCCSSC CNP0510251.0 [0,1,0,0,0,0|3,0,0]=4 146 B8R0.4 CCCCNCCCC CNP0203128.0 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.4 CCCCOCCCC CNP0077266.0 [0,1,0,0,0,0|1,1,0]=3 148 B8R0.4 CCCCOCCCO CNP0141373.0 [0,1,0,0,0,0|1,1,0]=3 149 B8R0.4 CCCCSCCCC CNP0370059.0 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.4 CCCCSSCCC CNP0003137.0 [0,1,0,0,0,0|0,0,0]=1 151 B8R0.4 CCCSSSCCC CNP0085911.0 [0,1,0,0,0,0|0,0,0]=1 152 B8R0.4 CCCSSSSSC CNP0528217.0 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.4 CCNCCCNCC CNP0239670.0 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.4 CCOCCOCCO CNP0079970.0 [0,1,0,0,0,0|2,1,0]=4 155 B8R0.4 COCCOCCOC CNP0466646.0 [0,1,0,0,0,0|2,1,0]=4 156 B8R0.4 NCCCNCCCN CNP0609056.0 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.4 NCCCOCCCN CNP0453820.0 [0,1,0,0,0,0|2,1,0]=4 158 B8R0.4 OCCSSSCCO CNP0187126.0 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.6 C/C=C/SS[C@@H](C)CC CNP0144239.2 [0,1,0,0,0,0|0,0,2]=3 160 B8R0.6 C/C=C/SS[C@H](C)CC CNP0144239.1 [0,1,0,0,0,0|0,0,2]=3 161 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,1,0,0,0,0|2,1,0]=4 162 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,0,0,0,0|2,0,0]=3 168 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,0,0,0,0|1,1,1]=4 170 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,1,0,0,0,0|2,1,0]=4 171 B8R0.6 CCCSSC(C)CC CNP0570615.0 [0,1,0,0,0,0|0,0,0]=1 172 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,0,0,0,0|3,0,0]=4 174 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,1,0,0,0,0|2,0,1]=4 178 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,1,0,0,0,0|1,1,0]=3 185 B8R0.7 CCCCSSC(C)C CNP0003138.0 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,0,0,0,0|1,1,1]=4 187 B8R0.7 CSCSSC[S@@+](C)[O-] CNP0517163.1 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.7 CSCSSC[S@@H+](C)[O-] CNP0539489.1 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [0,0,0,1,0,0|0,0,2]=3 194 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [0,0,0,1,0,0|0,0,2]=3 195 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,0,0,1,0,0|1,1,0]=3 196 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,0,0,1,0,0|1,1,0]=3 198 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,0,0,1,0,0|2,1,0]=4 203 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,0,0,1,0,0|2,1,0]=4 204 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,0,0,1,0,0|2,1,0]=4 205 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.5 O[C@@H]1CSSC[C@H]1O CNP0508118.1 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.5 O[C@H]1CSSC[C@@H]1O CNP0508118.2 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.8 CCCN1OCCO1 CNP0257167.0 [0,0,0,1,0,0|2,1,0]=4 215 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,0,1,0,0|2,0,0]=3 221 B8R1.36 CCCOCC1CO1 CNP0085753.0 [0,0,0,1,0,0|2,1,0]=4 222 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.49 C1SCSSCSS1 CNP0188648.0 [0,0,0,1,0,0|3,0,0]=4 224 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,2]=4 225 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|0,0,2]=4 226 B5R0.2 C=CCSSC CNP0333880.0 [2,0,0,0,0,0|0,0,2]=4 227 B5R0.2 C=CSSCC CNP0003136.0 [2,0,0,0,0,0|0,0,2]=4 228 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,2]=4 229 B5R0.2 CC=CSSC CNP0214071.0 [2,0,0,0,0,0|0,0,2]=4 230 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,0]=3 234 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,0]=2 235 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,0]=3 236 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,0]=3 237 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|1,0,0]=3 238 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|1,0,0]=3 239 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,0]=3 240 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,0]=3 241 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,0]=3 242 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.2 CCCSC#N CNP0395197.0 [2,0,0,0,0,0|1,0,1]=4 244 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|0,0,0]=2 245 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|0,0,0]=2 246 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,1,0]=4 249 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.2 CCSSCC CNP0416624.0 [2,0,0,0,0,0|0,0,0]=2 251 B5R0.2 CCSSSC CNP0407481.0 [2,0,0,0,0,0|1,0,0]=3 252 B5R0.2 CNCCNC CNP0480039.0 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.2 COCCOC CNP0144142.0 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|2,0,0]=4 256 B5R0.2 CSCSSC CNP0313036.0 [2,0,0,0,0,0|1,0,0]=3 257 B5R0.2 CSSSSC CNP0225688.0 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.2 NCCCCN CNP0116270.0 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.2 NCCCCO CNP0514594.0 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.2 OCCCCBr CNP0083982.0 [2,0,0,0,0,0|2,0,0]=4 261 B5R0.2 OCCCCCl CNP0079807.0 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|1,0,1]=4 264 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,0]=3 271 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,1,0,0,0,0|1,0,0]=3 274 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|0,1,1]=4 275 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,1,0,0,0,0|0,0,0]=2 276 B7R0.3 CCSSC(C)CC CNP0075907.0 [1,1,0,0,0,0|0,0,0]=2 277 B7R0.3 CCSSC(C)SC CNP0003141.0 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.4 CC=CSSC(C)C CNP0589450.0 [1,1,0,0,0,0|0,0,2]=4 285 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,1,0,0,0,0|1,0,0]=3 289 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,1,0,0,0,0|1,0,0]=3 290 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,1,0,0,0,0|1,0,0]=3 292 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,1,0,0,0,0|1,0,0]=3 293 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,1,0,0,0,0|0,0,0]=2 297 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|0,1,1]=4 298 B7R0.4 CCCSSC(C)C CNP0309421.0 [1,1,0,0,0,0|0,0,0]=2 299 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,1,0,0,0,0|1,1,0]=4 301 B7R0.4 CSSSC[S@@+](C)[O-] CNP0546334.1 [1,1,0,0,0,0|2,0,0]=4 302 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,1,0,0,0,0|1,0,0]=3 304 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,1,0,0,0,0|1,0,0]=3 306 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,1,0,0,0,0|1,1,0]=4 307 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,1,0,0,0,0|1,1,0]=4 308 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,1,0,0,0,0|1,0,0]=3 310 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,1,0,0,0,0|2,0,0]=4 311 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,1,0,0,0,0|1,0,0]=3 312 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,1,0,0,0,0|2,0,0]=4 314 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,1,0,0,0,0|1,1,0]=4 315 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,1,0,0,0,0|2,0,0]=4 316 B7R0.7 CCSC(C)SCC CNP0610536.0 [1,1,0,0,0,0|2,0,0]=4 317 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [0,2,0,0,0,0|2,0,0]=4 318 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,2,0,0,0,0|1,1,0]=4 320 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,2,0,0,0,0|2,0,0]=4 322 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,2,0,0,0,0|2,0,0]=4 323 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,2,0,0,0,0|2,0,0]=4 324 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|1,1,0]=4 325 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,2,0,0,0,0|1,1,0]=4 326 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,2,0,0,0,0|2,0,0]=4 328 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,2,0,0,0,0|1,1,0]=4 330 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [0,2,0,0,0,0|2,0,0]=4 331 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,2,0,0,0,0|2,0,0]=4 332 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,2,0,0,0,0|1,1,0]=4 333 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,2,0,0,0,0|2,0,0]=4 334 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [0,2,0,0,0,0|0,1,1]=4 336 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,2,0,0,0,0|1,1,0]=4 337 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,2,0,0,0,0|2,0,0]=4 338 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,2,0,0,0,0|2,0,0]=4 339 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,2,0,0,0,0|2,0,0]=4 340 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [0,2,0,0,0,0|2,0,0]=4 341 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [0,2,0,0,0,0|2,0,0]=4 342 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,2,0,0,0,0|2,0,0]=4 343 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,2,0,0,0,0|1,1,0]=4 344 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,2,0,0,0,0|2,0,0]=4 345 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [0,2,0,0,0,0|1,0,1]=4 346 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,2,0,0,0,0|2,0,0]=4 347 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,2,0,0,0,0|2,0,0]=4 348 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,2,0,0,0,0|2,0,0]=4 349 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,2,0,0,0,0|2,0,0]=4 350 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,2,0,0,0,0|2,0,0]=4 351 B9R0.2 CCCSSSCC(C)C CNP0003372.0 [0,2,0,0,0,0|0,0,0]=2 352 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,2,0,0,0,0|2,0,0]=4 353 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,2,0,0,0,0|2,0,0]=4 354 B9R0.45 CC#CCCCCCCC CNP0076890.0 [0,2,0,0,0,0|2,0,0]=4 355 B9R0.45 CC=CCSSCC=CC CNP0492007.0 [0,2,0,0,0,0|0,0,2]=4 356 B9R0.45 CC=CCSSCCCC CNP0548815.0 [0,2,0,0,0,0|0,0,1]=3 357 B9R0.45 CC=CSSSSCCC CNP0348405.0 [0,2,0,0,0,0|0,0,2]=4 358 B9R0.45 CCC#CCCCCCC CNP0606734.0 [0,2,0,0,0,0|2,0,0]=4 359 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,2,0,0,0,0|2,0,0]=4 360 B9R0.45 CCCC#CCCCCC CNP0576219.0 [0,2,0,0,0,0|2,0,0]=4 361 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,2,0,0,0,0|2,0,0]=4 363 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,2,0,0,0,0|2,0,0]=4 366 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,2,0,0,0,0|2,0,0]=4 367 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,2,0,0,0,0|2,0,0]=4 368 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,2,0,0,0,0|2,0,0]=4 369 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,2,0,0,0,0|1,1,0]=4 370 B9R0.45 CCCCCOCCCC CNP0134382.0 [0,2,0,0,0,0|1,1,0]=4 371 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,2,0,0,0,0|1,1,0]=4 372 B9R0.45 CCCSSSSCCC CNP0232335.0 [0,2,0,0,0,0|0,0,0]=2 373 B9R0.45 CCOCCOCCOC CNP0567615.0 [0,2,0,0,0,0|1,1,0]=4 374 B9R0.45 CSCCSSCCSC CNP0608455.0 [0,2,0,0,0,0|0,0,0]=2 375 B9R0.45 NCCCC=NCCCN CNP0087319.0 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.45 NCCCCCCCCN CNP0462737.0 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.45 NCCCCNCCCN CNP0279184.0 [0,2,0,0,0,0|2,0,0]=4 378 B9R0.45 NCCSCCSCCN CNP0451259.0 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,2,0,0,0,0|2,0,0]=4 380 B9R0.45 OCCCSSCCCO CNP0182015.0 [0,2,0,0,0,0|0,0,0]=2 381 B9R0.45 SCCCCCCCCS CNP0058300.0 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.46 CCCC#CCC(O)CC CNP0082068.0 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,2,0,0,0,0|2,0,0]=4 385 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,2,0,0,0,0|2,0,0]=4 386 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [0,2,0,0,0,0|2,0,0]=4 387 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,2,0,0,0,0|2,0,0]=4 389 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,2,0,0,0,0|2,0,0]=4 390 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [0,2,0,0,0,0|0,0,1]=3 393 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.46 NCCCSC[C@H](N)CO CNP0509719.1 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [0,2,0,0,0,0|2,0,0]=4 398 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.24 CC[C@@H](C)SS[C@H](C)CC CNP0145468.1 [0,2,0,0,0,0|0,0,0]=2 400 B9R0.24 CSC(C)SSC(C)SC CNP0251620.0 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,2,0,0,0,0|2,0,0]=4 402 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,2,0,0,0,0|2,0,0]=4 403 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.50 C/C=C/SS[C@@H](CC)SC CNP0130055.1 [0,2,0,0,0,0|0,0,2]=4 405 B9R0.50 C/C=C/SS[C@H](CC)SC CNP0130055.2 [0,2,0,0,0,0|0,0,2]=4 406 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,2,0,0,0,0|2,0,0]=4 407 B9R0.50 C=CCSSC(CC)CC CNP0604092.0 [0,2,0,0,0,0|0,0,2]=4 408 B9R0.50 CCCSSC(CC)SC CNP0201123.0 [0,2,0,0,0,0|0,0,0]=2 409 B9R0.38 CSCSSCS(=O)(=O)C CNP0282692.0 [0,2,0,0,0,0|2,0,0]=4 410 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,2,0,0,0,0|2,0,0]=4 412 B9R0.55 CC(C)CSSCC(C)C CNP0113206.0 [0,2,0,0,0,0|0,0,0]=2 413 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,1,0,0|1,1,0]=4 416 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,0,0,1,0,0|1,1,0]=4 419 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,0,0,1,0,0|1,1,0]=4 421 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,0]=3 423 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,1,0]=4 424 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.3 CC1SCCSS1 CNP0344509.0 [1,0,0,1,0,0|1,0,0]=3 426 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|1,0,1]=4 428 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [1,0,0,1,0,0|1,0,0]=3 433 B7R1.3 C[C@H]1CSSSS1 CNP0251938.1 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.3 [O-][S@+]1CCSSC1 CNP0547050.1 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.3 [O-][S@@H+]1CCSSC1 CNP0603900.1 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.4 CC1SCCC1O CNP0179885.0 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.4 CC1SCCC1S CNP0002610.0 [1,0,0,1,0,0|2,0,0]=4 441 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [1,0,0,1,0,0|0,0,0]=2 445 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [1,0,0,1,0,0|1,1,0]=4 449 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|1,0,0]=3 450 B7R1.7 CCCCC1CO1 CNP0608682.0 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,1,0,0|2,0,0]=4 452 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.24 C1CSSSCS1 CNP0233647.0 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.24 C1SCSSCS1 CNP0225166.0 [1,0,0,1,0,0|2,0,0]=4 455 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|1,1,0]=4 457 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,1,0,1,0,0|1,1,0]=4 473 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,1,0,1,0,0|1,1,0]=4 477 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.103 C1CCCSSSCC1 CNP0537108.0 [0,1,0,1,0,0|0,0,0]=2 489 B9R1.103 C1CNCCSCCN1 CNP0441018.0 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.11 CC[C@@H](C)C1=NCCS1 CNP0290095.1 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.21 CC[C@@H]1SS[C@@H](S1)CC CNP0003374.1 [0,1,0,1,0,0|0,0,0]=2 501 B9R1.21 CC[C@H]1SS[C@@H](S1)CC CNP0003374.2 [0,1,0,1,0,0|0,0,0]=2 502 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.13 CC(C)CC1NCCS1 CNP0121305.0 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,1,0,1,0,0|2,0,0]=4 509 B9R2.49 C1=CC2CCC1CC2 CNP0168880.0 [0,0,0,2,0,0|2,0,0]=4 510 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,2,0,0|1,1,0]=4 511 B9R2.49 C1C[C@H]2CC[C@@H]1N=N2 CNP0063584.1 [0,0,0,2,0,0|2,0,0]=4 512 B9R2.3 C1CC2CCCC2C1 CNP0085894.0 [0,0,0,2,0,0|2,0,0]=4 513 B9R2.3 C1CC2CCCN2C1 CNP0077173.0 [0,0,0,2,0,0|2,0,0]=4 514 B9R2.79 CC[C@H]1C[C@H]1C2CC2 CNP0335376.1 [0,0,0,2,0,0|2,0,0]=4