0 B8R0.4 C#CCCCCCC#C CNP0595373.0 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 C=CCCCCCC=C CNP0320273.0 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 C=CCCCCCC=O CNP0184185.0 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.4 C=CCCCCN=C=S CNP0002692.0 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.4 C=CCSSSCCC CNP0080526.0 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.4 CC#CCCCCCC CNP0610539.0 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.4 CC=CC#CCCCC CNP0343796.0 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [0,0,0,0,0,0|0,0,4]=4 12 B8R0.4 CC=CCCCCC=O CNP0181844.0 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,0,0,0,0,0|1,0,1]=2 14 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.4 CC=CSSCCCC CNP0612155.0 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,0,0,0,0,0|0,0,2]=2 17 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,0,0,0,0,0|0,0,4]=4 19 B8R0.4 CCC=CCCOC=O CNP0053041.0 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.4 CCCC#CCCCC CNP0399647.0 [0,0,0,0,0,0|1,0,3]=4 21 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,0,0,0,0,0|0,0,4]=4 22 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,0,0,0,0,0|1,0,3]=4 23 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,0,0,0,0,0|0,0,4]=4 24 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,0,0,0,0,0|0,0,2]=2 26 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,0,0,0,0,0|0,0,4]=4 27 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,0,0,0,0,0|0,0,2]=2 29 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,0,0,0,0,0|0,0,4]=4 30 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,0,0,0,0,0|0,0,2]=2 31 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,0,0,0,0,0|1,0,1]=2 33 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,0,0,0,0,0|0,0,0]=0 34 B8R0.4 CCCCCCCCC CNP0402619.0 [0,0,0,0,0,0|1,0,1]=2 35 B8R0.4 CCCCCCCCN CNP0065900.0 [0,0,0,0,0,0|1,0,1]=2 36 B8R0.4 CCCCCCCCO CNP0368614.0 [0,0,0,0,0,0|0,0,2]=2 37 B8R0.4 CCCCCCCNC CNP0216624.0 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.4 CCCCCCCOO CNP0566054.0 [0,0,0,0,0,0|1,0,1]=2 39 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,0,0,0,0,0|0,0,0]=0 40 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,0,0,0,0,0|1,1,1]=3 41 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,0,0,0,0,0|1,0,0]=1 42 B8R0.4 CCCCCCOCC CNP0609034.0 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.4 CCCCCCSSC CNP0510251.0 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.4 CCCCNCCCC CNP0203128.0 [0,0,0,0,0,0|2,0,1]=3 45 B8R0.4 CCCCOCCCC CNP0077266.0 [0,0,0,0,0,0|2,0,1]=3 46 B8R0.4 CCCCOCCCO CNP0141373.0 [0,0,0,0,0,0|1,0,2]=3 47 B8R0.4 CCCCSCCCC CNP0370059.0 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.4 CCCCSSCCC CNP0003137.0 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.4 CCNCCCNCC CNP0239670.0 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.4 CCOCCOCCO CNP0079970.0 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.4 COCCOCCOC CNP0466646.0 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.4 CSCCCCCC#N CNP0267304.0 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,0,0,0,0,0|2,1,1]=4 55 B8R0.4 CSCCCCSC#N CNP0216108.0 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.4 CSCCCN=CC=S CNP0098576.0 [0,0,0,0,0,0|2,1,1]=4 57 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [0,0,0,0,0,0|2,1,1]=4 58 B8R0.4 N#CCCCCCC#N CNP0111004.0 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.4 NCCCNCCCN CNP0609056.0 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.4 NCCCOCCCN CNP0453820.0 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,0,0,0,0|0,0,3]=4 62 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,0,0,0,0,0|0,0,3]=4 63 B7R0.1 C=CCCCCC=C CNP0118215.0 [1,0,0,0,0,0|0,0,3]=4 64 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|0,0,1]=2 65 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.1 C=CCSSCCC CNP0170059.0 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,0,0,0,0|0,0,3]=4 70 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,0,0,0,0|0,0,2]=3 71 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|0,0,3]=4 72 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|0,0,3]=4 73 B7R0.1 CCCC#CCCC CNP0381743.0 [1,0,0,0,0,0|0,0,3]=4 74 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,0,0,0,0|0,0,2]=3 75 B7R0.1 CCCC=CCCC CNP0541880.0 [1,0,0,0,0,0|0,0,3]=4 76 B7R0.1 CCCC=CCCO CNP0287313.0 [1,0,0,0,0,0|0,0,3]=4 77 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,0,0,0,0|0,0,2]=3 78 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|0,0,3]=4 79 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|0,0,0]=1 81 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|0,0,1]=2 82 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|0,0,1]=2 84 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,0,0,0,0,0|1,1,1]=4 86 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|1,0,0]=2 87 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,0,0,0,0|1,1,1]=4 91 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,0,0,0,0|1,1,1]=4 94 B7R0.1 CCCSSCCC CNP0328321.0 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.1 CCNCCCCN CNP0107714.0 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.1 CCNCCNCC CNP0103183.0 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.1 CNCCCCCN CNP0390055.0 [1,0,0,0,0,0|2,0,0]=3 98 B7R0.1 CNCCCCNC CNP0145070.0 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.1 COCCOCCO CNP0610336.0 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.1 CSCCCCC#N CNP0183103.0 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.1 NCCCCCCN CNP0230906.0 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.1 NCCCCCCO CNP0568466.0 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.1 NCCCCCNO CNP0455910.0 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.1 NCCCNCCS CNP0050642.0 [1,0,0,0,0,0|2,1,0]=4 105 B7R0.1 OCCCCCCBr CNP0593386.0 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.1 OCCCCCCO CNP0080019.0 [1,0,0,0,0,0|1,0,1]=3 107 B7R0.1 OCCCCCCS CNP0154751.0 [1,0,0,0,0,0|1,0,1]=3 108 B7R0.1 OCCCSCCO CNP0079791.0 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.1 SCCCCCCS CNP0089642.0 [1,0,0,0,0,0|1,1,0]=3 110 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [1,0,0,0,0,0|0,0,3]=4 111 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,1,0,0,0,0|1,0,2]=4 112 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,1,0,0,0,0|0,0,2]=3 114 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,1,0,0,0,0|1,0,0]=2 115 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,1,0,0,0,0|2,0,0]=3 116 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [0,1,0,0,0,0|0,0,0]=1 117 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,1,0,0,0,0|1,0,2]=4 118 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,1,0,0,0,0|0,0,2]=3 120 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,1,0,0,0,0|1,0,2]=4 121 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,1,0,0,0,0|0,0,2]=3 122 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,1,0,0,0,0|0,0,2]=3 123 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,1,0,0,0,0|1,0,2]=4 124 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,1,0,0,0,0|0,0,2]=3 125 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,1,0,0,0,0|1,0,2]=4 126 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,1,0,0,0,0|0,0,2]=3 127 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,1,0,0,0,0|0,0,2]=3 128 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,1,0,0,0,0|0,0,0]=1 129 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,1,0,0,0,0|0,0,0]=1 130 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,1,0,0,0,0|0,0,0]=1 131 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,1,0,0,0,0|0,0,0]=1 132 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,1,0,0,0,0|0,0,0]=1 133 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,1,0,0,0,0|0,0,0]=1 134 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,1,0,0,0,0|0,0,0]=1 135 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,1,0,0,0,0|0,0,0]=1 136 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,1,0,0,0,0|0,0,0]=1 137 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,1,0,0,0,0|0,0,0]=1 138 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,1,0,0,0,0|1,0,1]=3 139 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,1,0,0,0,0|0,0,2]=3 140 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,1,0,0,0,0|0,0,2]=3 141 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,1,0,0,0,0|1,0,0]=2 142 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,1,0,0,0,0|1,0,0]=2 143 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,1,0,0,0,0|1,0,0]=2 144 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,1,0,0,0,0|1,0,0]=2 145 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,1,0,0,0,0|2,0,0]=3 146 B9R0.2 CSCCCCNC(=N)S CNP0609247.0 [0,1,0,0,0,0|2,1,0]=4 147 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,1,0,0,0,0|2,1,0]=4 148 B9R0.2 C[S@+]([O-])CCCCCC#N CNP0534941.2 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.2 C[S@@+]([O-])CCCCCC#N CNP0534941.1 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.2 N=C(N)NCCCCCN CNP0326805.0 [0,1,0,0,0,0|3,0,0]=4 151 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,1,0,0,0,0|1,0,0]=2 152 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|1,0,1]=3 153 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,1,0,0,0,0|1,0,0]=2 154 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|1,0,2]=4 157 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|1,0,2]=4 158 B9R0.5 CC=COCC(C)CC=O CNP0595975.0 [0,1,0,0,0,0|1,0,2]=4 159 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,0,0,0,0|0,0,1]=2 160 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|1,0,2]=4 161 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|0,0,3]=4 162 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [0,1,0,0,0,0|0,0,0]=1 163 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [0,1,0,0,0,0|0,0,0]=1 164 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,1,0,0,0,0|1,0,1]=3 165 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [0,1,0,0,0,0|1,0,0]=2 166 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,1,0,0,0,0|1,0,1]=3 167 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,1,0,0,0,0|1,0,1]=3 168 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,1,0,0,0,0|0,0,2]=3 169 B9R0.5 O=CCCSC(=O)CCS CNP0552323.0 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,1,0,0,0,0|0,0,3]=4 172 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,1,0,0,0,0|1,0,2]=4 173 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,1,0,0,0,0|2,0,1]=4 174 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [0,1,0,0,0,0|1,0,1]=3 176 B9R0.45 C#CCCC#CCCCC CNP0154366.0 [0,1,0,0,0,0|1,0,2]=4 177 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,1,0,0,0,0|1,0,1]=3 178 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [0,1,0,0,0,0|0,0,3]=4 180 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [0,1,0,0,0,0|1,0,1]=3 181 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,1,0,0,0,0|1,0,0]=2 182 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,1,0,0,0,0|1,0,0]=2 183 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.45 CC#CCCCCCCC CNP0076890.0 [0,1,0,0,0,0|1,0,1]=3 185 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,1,0,0,0,0|1,0,2]=4 186 B9R0.45 CC=CCSSCCCC CNP0548815.0 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.45 CCC#CCCCCCC CNP0606734.0 [0,1,0,0,0,0|1,0,2]=4 188 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [0,1,0,0,0,0|0,0,3]=4 189 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,1,0,0,0,0|0,0,3]=4 190 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [0,1,0,0,0,0|0,0,1]=2 191 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,1,0,0,0,0|1,0,1]=3 192 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,1,0,0,0,0|0,0,3]=4 193 B9R0.45 CCCC#CCCCCC CNP0576219.0 [0,1,0,0,0,0|1,0,2]=4 194 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,1,0,0,0,0|1,0,2]=4 195 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,1,0,0,0,0|0,0,3]=4 196 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [0,1,0,0,0,0|0,0,1]=2 197 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,1,0,0,0,0|0,0,1]=2 198 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,1,0,0,0,0|0,0,3]=4 199 B9R0.45 CCCCCCC#CCO CNP0485953.0 [0,1,0,0,0,0|0,0,3]=4 200 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [0,1,0,0,0,0|0,0,1]=2 201 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,1,0,0,0,0|0,0,2]=3 202 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,1,0,0,0,0|0,0,0]=1 203 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,1,0,0,0,0|0,0,1]=2 204 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,1,0,0,0,0|0,0,1]=2 205 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,1,0,0,0,0|1,0,1]=3 206 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,1,0,0,0,0|0,0,0]=1 207 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,1,0,0,0,0|1,0,1]=3 208 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,1,0,0,0,0|1,0,1]=3 209 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,1,0,0,0,0|0,0,2]=3 210 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,1,0,0,0,0|0,0,2]=3 211 B9R0.45 CCCCCCCNC=O CNP0503918.0 [0,1,0,0,0,0|0,0,0]=1 212 B9R0.45 CCCCCCCOC=O CNP0272781.0 [0,1,0,0,0,0|0,0,0]=1 213 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,1,0,0,0,0|1,0,1]=3 214 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,1,0,0,0,0|1,0,1]=3 215 B9R0.45 CCCCCOCCCC CNP0134382.0 [0,1,0,0,0,0|1,0,1]=3 216 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,1,0,0,0,0|0,0,2]=3 217 B9R0.45 CCOCCOCCOC CNP0567615.0 [0,1,0,0,0,0|3,0,0]=4 218 B9R0.45 CSCCCCCC#[N+][O-] CNP0559721.0 [0,1,0,0,0,0|1,0,2]=4 219 B9R0.45 CSCCCCCC=NO CNP0405939.0 [0,1,0,0,0,0|1,0,1]=3 220 B9R0.45 CSCCCCCCC#N CNP0328653.0 [0,1,0,0,0,0|1,0,1]=3 221 B9R0.45 CSCCCCCN=C=S CNP0328420.0 [0,1,0,0,0,0|1,1,1]=4 222 B9R0.45 N#CCCCCCCC#N CNP0370279.0 [0,1,0,0,0,0|1,0,2]=4 223 B9R0.45 NCCCCCCCCN CNP0462737.0 [0,1,0,0,0,0|1,0,1]=3 224 B9R0.45 NCCCCNCCCN CNP0279184.0 [0,1,0,0,0,0|2,0,1]=4 225 B9R0.45 NCCCNCCCC=O CNP0100864.0 [0,1,0,0,0,0|1,0,0]=2 226 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,1,0,0,0,0|0,0,2]=3 227 B9R0.45 SCCCCCCCCS CNP0058300.0 [0,1,0,0,0,0|0,1,1]=3 228 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,1,0,0,0,0|1,0,1]=3 229 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,0,0,0,0|1,0,1]=3 230 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,1,0,0,0,0|1,0,0]=2 231 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,1,0,0,0,0|2,0,0]=3 232 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,1,0,0,0,0|1,0,0]=2 233 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,1,0,0,0,0|2,0,0]=3 234 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,1,0,0,0,0|0,0,2]=3 235 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,1,0,0,0,0|1,0,2]=4 236 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|1,0,2]=4 237 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,1,0,0,0,0|0,0,0]=1 240 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,1,0,0,0,0|0,0,2]=3 241 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [0,1,0,0,0,0|2,0,0]=3 242 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,1,0,0,0,0|1,0,1]=3 243 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,1,0,0,0,0|1,0,1]=3 244 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,1,0,0,0,0|0,0,2]=3 245 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,1,0,0,0,0|2,0,0]=3 246 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,1,0,0,0,0|1,0,1]=3 247 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,1,0,0,0,0|3,0,0]=4 248 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [0,1,0,0,0,0|2,0,0]=3 249 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,1,0,0,0,0|0,0,2]=3 250 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|0,0,0]=1 251 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|1,0,0]=2 252 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,1,0,0|2,0,0]=3 253 B9R1.8 C=CCC1=NCCCC1 CNP0003401.0 [0,0,0,1,0,0|2,0,1]=4 254 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [0,0,0,1,0,0|1,0,0]=2 255 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [0,0,0,1,0,0|2,0,0]=3 256 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,0,0,1,0,0|1,0,2]=4 257 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,0,0,1,0,0|1,0,2]=4 258 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,0,0,1,0,0|1,0,1]=3 259 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,0,0,1,0,0|2,0,1]=4 260 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,0,0,1,0,0|1,0,1]=3 261 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,0,0,1,0,0|1,0,1]=3 262 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [0,0,0,1,0,0|1,0,1]=3 263 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [0,0,0,1,0,0|2,0,1]=4 264 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [0,0,0,1,0,0|1,0,0]=2 265 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [0,0,0,1,0,0|1,0,0]=2 266 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,0,0,1,0,0|2,0,0]=3 267 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [0,0,0,1,0,0|1,0,2]=4 268 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [0,0,0,1,0,0|1,0,2]=4 269 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [0,0,0,1,0,0|1,0,2]=4 270 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [0,0,0,1,0,0|1,1,1]=4 271 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,0,0,1,0,0|1,0,2]=4 272 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [0,0,0,1,0,0|1,1,1]=4 273 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [0,0,0,1,0,0|2,0,0]=3 274 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,0,0,1,0,0|0,0,2]=3 275 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [0,0,0,1,0,0|2,0,1]=4 276 B9R1.12 NCCCN1C=CCC1 CNP0592244.0 [0,0,0,1,0,0|3,0,0]=4 277 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [0,0,0,1,0,0|0,0,0]=1 278 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [0,0,0,1,0,0|0,0,2]=3 279 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [0,0,0,1,0,0|0,0,0]=1 280 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,0,0,1,0,0|0,0,0]=1 281 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,0,0,1,0,0|1,0,1]=3 282 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,0,0,1,0,0|1,0,0]=2 283 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,0,0,1,0,0|1,0,0]=2 284 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,0,0,1,0,0|2,0,0]=3 285 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,0,0,1,0,0|3,0,0]=4 286 B9R1.16 C=CCCCC1CC1=C CNP0302081.0 [0,0,0,1,0,0|1,0,2]=4 287 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,0,0,1,0,0|1,0,1]=3 288 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [0,0,0,1,0,0|0,1,1]=3 289 B9R1.20 CCC1OC1C=CC=O CNP0007771.0 [0,0,0,1,0,0|1,0,2]=4 290 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,1,0,0|1,0,1]=3 291 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|0,0,0]=1 292 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [0,0,0,1,0,0|2,0,0]=3 293 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [0,0,0,1,0,0|1,0,1]=3 294 B9R1.103 C1CCCSSSCC1 CNP0537108.0 [0,0,0,1,0,0|2,1,0]=4 295 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,1]=3 296 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|1,0,1]=4 297 B6R0.6 C=CCSCCC CNP0150756.0 [2,0,0,0,0,0|1,0,1]=4 298 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|1,0,1]=4 299 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|0,0,2]=4 300 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,2]=4 301 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,2]=4 302 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,2]=4 303 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,2]=4 304 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,2]=4 305 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 306 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,0]=2 307 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,0]=2 308 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,0]=3 309 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,1]=3 310 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,0]=3 311 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,1]=3 312 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|1,0,0]=3 314 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|1,0,0]=3 315 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,1,0]=4 316 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,0]=3 317 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|2,0,0]=4 319 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|2,0,0]=4 320 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,1]=4 322 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|1,0,0]=3 323 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,1]=4 325 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,1,0]=4 326 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,0,1]=4 327 B6R0.6 CNCCCCN CNP0157274.0 [2,0,0,0,0,0|2,0,0]=4 328 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,1]=4 329 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|1,0,0]=3 330 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|1,0,1]=4 331 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|1,0,0]=3 332 B6R0.6 NCCCCCN CNP0184259.0 [2,0,0,0,0,0|2,0,0]=4 333 B6R0.6 NCCCCCO CNP0032450.0 [2,0,0,0,0,0|1,0,1]=4 334 B6R0.6 O=CCCCC=O CNP0204417.0 [2,0,0,0,0,0|1,0,1]=4 335 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,1]=4 336 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,1,0,0,0,0|0,0,1]=3 337 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,1,0,0,0,0|0,0,1]=3 338 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,1,0,0,0,0|0,0,1]=3 339 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,1,0,0,0,0|1,0,1]=4 340 B8R0.1 CCCC(S)CCOC CNP0309037.0 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|0,0,2]=4 342 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|0,0,1]=3 343 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,1,0,0,0,0|0,0,1]=3 344 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [1,1,0,0,0,0|0,0,1]=3 345 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [1,1,0,0,0,0|1,0,0]=3 347 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,1,0,0,0,0|0,0,2]=4 348 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [1,1,0,0,0,0|0,0,1]=3 349 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [1,1,0,0,0,0|0,0,1]=3 350 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.6 CCC(C)OCCCO CNP0593328.0 [1,1,0,0,0,0|1,0,1]=4 352 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,1,0,0,0,0|0,0,2]=4 353 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|0,0,2]=4 354 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|0,0,2]=4 355 B8R0.6 CCCCCC(S)SC CNP0002612.0 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,1,0,0,0,0|0,0,1]=3 357 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|0,0,1]=3 358 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,1,0,0,0,0|0,0,1]=3 359 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [1,1,0,0,0,0|0,0,1]=3 360 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,1,0,0,0,0|0,0,1]=3 361 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,1,0,0,0,0|0,0,1]=3 362 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [1,1,0,0,0,0|1,0,0]=3 363 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,1,0,0,0,0|0,0,1]=3 364 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,1,0,0,0,0|0,0,2]=4 365 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,1,0,0,0,0|0,0,1]=3 366 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [1,1,0,0,0,0|0,0,2]=4 367 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [1,1,0,0,0,0|0,0,0]=2 370 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,1,0,0,0,0|0,0,1]=3 371 B8R0.7 CC(C)OCCCCO CNP0461229.0 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|0,0,2]=4 373 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,1,0,0,0,0|0,0,2]=4 374 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|0,0,2]=4 375 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,1,0,0,0,0|0,0,2]=4 376 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,1,0,0,0,0|0,0,2]=4 377 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|0,0,2]=4 378 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,1,0,0,0,0|0,0,2]=4 379 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|1,0,1]=4 380 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|0,0,2]=4 381 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|0,0,0]=2 382 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,1,0,0,0,0|0,0,0]=2 383 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,1,0,0,0,0|0,0,0]=2 384 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,1,0,0,0,0|0,0,0]=2 385 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|0,0,1]=3 386 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,1,0,0,0,0|0,0,1]=3 387 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|0,0,1]=3 388 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,1,0,0,0,0|0,0,1]=3 389 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|0,0,1]=3 390 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,1,0,0,0,0|1,0,0]=3 391 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,1,0,0,0,0|1,0,0]=3 392 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|1,0,0]=3 393 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,1,0,0,0,0|1,0,0]=3 394 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|1,0,1]=4 395 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|1,0,0]=3 396 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,1,0,0,0,0|2,0,0]=4 397 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,1,0,0,0,0|2,0,0]=4 398 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [1,1,0,0,0,0|2,0,0]=4 399 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,1,0,0,0,0|1,0,0]=3 400 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,1,0,0,0,0|2,0,0]=4 401 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,1,0,0,0,0|1,0,0]=3 402 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,1,0,0,0,0|1,0,1]=4 403 B10R0.3 C=C(C)CCC[C@@H](C)CC=O CNP0306667.1 [0,2,0,0,0,0|0,0,1]=3 404 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [0,2,0,0,0,0|2,0,0]=4 405 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [0,2,0,0,0,0|2,0,0]=4 406 B10R0.3 C=C(C)CCC[C@H](C)CC=O CNP0306667.2 [0,2,0,0,0,0|0,0,1]=3 407 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [0,2,0,0,0,0|2,0,0]=4 408 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [0,2,0,0,0,0|2,0,0]=4 409 B10R0.3 CC(=CCC[C@@H](C)CC=O)C CNP0348470.1 [0,2,0,0,0,0|0,0,2]=4 410 B10R0.3 CC(=CCC[C@H](C)CC=O)C CNP0348470.2 [0,2,0,0,0,0|0,0,2]=4 411 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [0,2,0,0,0,0|0,0,2]=4 412 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [0,2,0,0,0,0|0,0,2]=4 413 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,2,0,0,0,0|0,0,1]=3 414 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,2,0,0,0,0|1,0,1]=4 415 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,2,0,0,0,0|1,0,0]=3 416 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,2,0,0,0,0|0,0,0]=2 417 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,2,0,0,0,0|1,0,1]=4 418 B10R0.3 C[C@H](O)CCC[C@@H](O)CCO CNP0334179.1 [0,2,0,0,0,0|0,0,2]=4 419 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,2,0,0,0,0|0,0,1]=3 420 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,2,0,0,0,0|0,0,1]=3 421 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,2,0,0,0,0|0,0,1]=3 422 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,2,0,0,0,0|0,0,0]=2 423 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [0,2,0,0,0,0|0,0,0]=2 424 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,2,0,0,0,0|0,0,1]=3 425 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,2,0,0,0,0|0,0,1]=3 426 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,2,0,0,0,0|0,0,1]=3 427 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,2,0,0,0,0|0,0,2]=4 428 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,2,0,0,0,0|0,0,2]=4 429 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,2,0,0,0,0|0,0,1]=3 430 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,2,0,0,0,0|0,0,1]=3 431 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,2,0,0,0,0|0,0,1]=3 432 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,2,0,0,0,0|0,0,2]=4 433 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,2,0,0,0,0|0,0,1]=3 434 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,2,0,0,0,0|0,0,1]=3 435 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,2,0,0,0,0|0,0,1]=3 436 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,2,0,0,0,0|0,0,1]=3 437 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,2,0,0,0,0|0,0,2]=4 438 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,2,0,0,0,0|0,0,0]=2 439 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,2,0,0,0,0|0,0,0]=2 440 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,2,0,0,0,0|0,0,0]=2 441 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,2,0,0,0,0|0,0,0]=2 442 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,2,0,0,0,0|1,0,1]=4 443 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,2,0,0,0,0|0,0,2]=4 444 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,2,0,0,0,0|0,0,2]=4 445 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,2,0,0,0,0|0,0,2]=4 446 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,2,0,0,0,0|0,0,2]=4 447 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,2,0,0,0,0|0,0,0]=2 448 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,2,0,0,0,0|1,0,0]=3 449 B10R0.4 CSCCCCCNC(=N)S CNP0609535.0 [0,2,0,0,0,0|1,1,0]=4 450 B10R0.4 CSCCCCCNC(=S)N CNP0380600.0 [0,2,0,0,0,0|1,1,0]=4 451 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [0,2,0,0,0,0|1,0,1]=4 452 B10R0.4 C[S@+]([O-])CCCCCCC#N CNP0522618.1 [0,2,0,0,0,0|1,0,1]=4 453 B10R0.4 C[S@H+]([O-])CCCCCCC#N CNP0582396.1 [0,2,0,0,0,0|1,0,1]=4 454 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,2,0,0,0,0|0,0,0]=2 455 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,2,0,0,0,0|1,0,0]=3 456 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,2,0,0,0,0|1,0,0]=3 457 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,2,0,0,0,0|0,0,0]=2 458 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,2,0,0,0,0|0,0,0]=2 459 B10R0.6 CC(C)CC(=O)NCCC=O CNP0412095.0 [0,2,0,0,0,0|1,0,1]=4 460 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,2,0,0,0,0|0,0,1]=3 461 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,2,0,0,0,0|0,0,0]=2 462 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,2,0,0,0,0|0,0,0]=2 463 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,2,0,0,0,0|1,0,0]=3 464 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,2,0,0,0,0|0,0,0]=2 465 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,2,0,0,0,0|1,0,1]=4 466 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,2,0,0,0,0|1,0,0]=3 467 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,2,0,0,0,0|2,0,0]=4 468 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,2,0,0,0,0|2,0,0]=4 469 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [0,2,0,0,0,0|0,0,2]=4 470 B10R0.55 CC(C)CCCCC(C)CO CNP0444832.0 [0,2,0,0,0,0|0,0,2]=4 471 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,2,0,0,0,0|0,0,2]=4 472 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,2,0,0,0,0|0,0,0]=2 473 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,2,0,0,0,0|1,0,1]=4 474 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,2,0,0,0,0|1,0,1]=4 475 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,2,0,0,0,0|0,0,0]=2 476 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,2,0,0,0,0|1,0,0]=3 477 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [0,2,0,0,0,0|1,0,0]=3 478 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,2,0,0,0,0|0,0,2]=4 479 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,2,0,0,0,0|0,0,2]=4 480 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,2,0,0,0,0|0,0,2]=4 481 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,2,0,0,0,0|0,0,2]=4 482 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,2,0,0,0,0|0,0,1]=3 483 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,2,0,0,0,0|0,0,0]=2 484 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,2,0,0,0,0|0,0,0]=2 485 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,2,0,0,0,0|0,0,0]=2 486 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,2,0,0,0,0|0,0,0]=2 487 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,2,0,0,0,0|0,0,2]=4 488 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,2,0,0,0,0|1,0,1]=4 489 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,2,0,0,0,0|1,0,1]=4 490 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,2,0,0,0,0|0,0,2]=4 491 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,2,0,0,0,0|1,0,1]=4 492 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,2,0,0,0,0|0,0,2]=4 493 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,2,0,0,0,0|1,0,0]=3 494 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,2,0,0,0,0|0,0,1]=3 495 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,2,0,0,0,0|0,0,0]=2 496 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,2,0,0,0,0|0,0,0]=2 497 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,2,0,0,0,0|0,0,0]=2 498 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,2,0,0,0,0|0,0,0]=2 499 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,2,0,0,0,0|0,0,0]=2 500 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,2,0,0,0,0|1,0,0]=3 501 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [0,2,0,0,0,0|2,0,0]=4 502 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,2,0,0,0,0|1,0,0]=3 503 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,2,0,0,0,0|1,0,1]=4 504 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,2,0,0,0,0|1,0,0]=3 505 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,2,0,0,0,0|1,0,0]=3 506 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [0,2,0,0,0,0|2,0,0]=4 507 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,2,0,0,0,0|2,0,0]=4 508 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,2,0,0,0,0|1,0,1]=4 509 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [0,2,0,0,0,0|1,0,1]=4 510 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,2,0,0,0,0|0,0,0]=2 511 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [0,2,0,0,0,0|1,0,1]=4 512 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,2,0,0,0,0|1,0,1]=4 513 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,2,0,0,0,0|0,0,0]=2 514 B10R0.97 CC(=O)CCSCCC(=O)C CNP0272000.0 [0,2,0,0,0,0|1,0,1]=4 515 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,2,0,0,0,0|1,0,1]=4 516 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,2,0,0,0,0|0,0,0]=2 517 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,2,0,0,0,0|0,0,2]=4 518 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,2,0,0,0,0|0,0,2]=4 519 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,2,0,0,0,0|0,0,0]=2 520 B10R0.97 O=C(Cl)CCCCCC(=O)Cl CNP0111059.0 [0,2,0,0,0,0|1,0,1]=4 521 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [0,2,0,0,0,0|1,0,1]=4 522 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,2,0,0,0,0|1,0,1]=4 523 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|0,0,2]=4 524 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|0,0,2]=4 525 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [0,2,0,0,0,0|0,0,0]=2 526 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,2,0,0,0,0|1,0,1]=4 527 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [0,2,0,0,0,0|0,0,2]=4 528 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,2,0,0,0,0|1,0,1]=4 529 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [0,2,0,0,0,0|0,0,2]=4 530 B10R0.1 CCCN(N)CCCCCN CNP0546326.0 [0,2,0,0,0,0|1,0,1]=4 531 B10R0.19 CCCCC(C)C(C)CCC CNP0086078.0 [0,2,0,0,0,0|1,0,1]=4 532 B10R0.19 CCCC[C@H](O)[C@@H](C)CCC CNP0167037.1 [0,2,0,0,0,0|1,0,1]=4 533 B10R0.19 CCCC[C@H](O)[C@H](C)CCC CNP0167037.2 [0,2,0,0,0,0|1,0,1]=4 534 B10R0.24 CCCCCC(CO)CCC CNP0552368.0 [0,2,0,0,0,0|1,0,1]=4 535 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [0,2,0,0,0,0|1,0,0]=3 536 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|1,0,1]=4 537 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,2,0,0,0,0|1,0,1]=4 538 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,2,0,0,0,0|0,0,2]=4 539 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,2,0,0,0,0|0,0,2]=4 540 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|0,0,0]=2 541 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|1,0,1]=4 542 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [0,2,0,0,0,0|1,0,1]=4 543 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [0,2,0,0,0,0|0,0,2]=4 544 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [0,2,0,0,0,0|0,0,1]=3 545 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [0,2,0,0,0,0|1,0,1]=4 546 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [0,2,0,0,0,0|0,0,2]=4 547 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [0,2,0,0,0,0|0,0,1]=3 548 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [0,2,0,0,0,0|0,0,0]=2 549 B10R0.156 CCCCCC(C)(C)CC#N CNP0231406.0 [0,2,0,0,0,0|1,0,1]=4 550 B10R0.156 CCCCCC(C)(C)CCC CNP0534660.0 [0,2,0,0,0,0|1,0,1]=4 551 B10R0.16 CCCCC(C=O)CCCC CNP0136450.0 [0,2,0,0,0,0|1,0,1]=4 552 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [0,2,0,0,0,0|1,0,1]=4 553 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,2,0,0,0,0|1,0,0]=3 554 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,2,0,0,0,0|1,0,0]=3 555 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [0,2,0,0,0,0|0,0,2]=4 556 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [0,2,0,0,0,0|1,0,0]=3 557 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [0,2,0,0,0,0|0,0,0]=2 558 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [0,2,0,0,0,0|1,0,0]=3 559 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [0,2,0,0,0,0|1,0,0]=3 560 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [0,2,0,0,0,0|1,0,0]=3 561 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [0,2,0,0,0,0|1,0,1]=4 562 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [0,2,0,0,0,0|1,0,0]=3 563 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [0,2,0,0,0,0|0,0,2]=4 564 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [0,2,0,0,0,0|1,0,1]=4 565 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [0,2,0,0,0,0|0,0,0]=2 566 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,2,0,0,0,0|1,0,1]=4 567 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [0,2,0,0,0,0|0,0,0]=2 568 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [0,2,0,0,0,0|1,0,1]=4 569 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [0,2,0,0,0,0|0,0,2]=4 570 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,2,0,0,0,0|0,0,2]=4 571 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,2,0,0,0,0|0,0,0]=2 572 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [0,2,0,0,0,0|0,0,2]=4 573 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,2,0,0,0,0|0,0,2]=4 574 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [0,2,0,0,0,0|0,0,2]=4 575 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,2,0,0,0,0|0,0,0]=2 576 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,2,0,0,0,0|0,0,1]=3 577 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [0,2,0,0,0,0|0,0,1]=3 578 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [0,2,0,0,0,0|0,0,0]=2 579 B10R0.71 CCCCCCCCCCC CNP0270748.0 [0,2,0,0,0,0|1,0,1]=4 580 B10R0.71 CCCCCCCCCCI CNP0573243.0 [0,2,0,0,0,0|1,0,1]=4 581 B10R0.71 CCCCCCCCCCN CNP0456638.0 [0,2,0,0,0,0|1,0,1]=4 582 B10R0.71 CCCCCCCCCCO CNP0305576.0 [0,2,0,0,0,0|0,0,2]=4 583 B10R0.71 CCCCCCCCCCS CNP0541016.0 [0,2,0,0,0,0|0,1,1]=4 584 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [0,2,0,0,0,0|1,0,1]=4 585 B10R0.71 CCCCCCCCCOC CNP0246631.0 [0,2,0,0,0,0|0,0,2]=4 586 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [0,2,0,0,0,0|0,0,0]=2 587 B10R0.71 CCCCCCCCOCC CNP0319929.0 [0,2,0,0,0,0|0,0,2]=4 588 B10R0.71 CCCCCNCCCCC CNP0450899.0 [0,2,0,0,0,0|1,0,1]=4 589 B10R0.71 CCCCOCCOCCO CNP0079968.0 [0,2,0,0,0,0|0,0,2]=4 590 B10R0.71 CSCCCCCCC#[N+][O-] CNP0571326.0 [0,2,0,0,0,0|0,0,2]=4 591 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [0,2,0,0,0,0|0,0,1]=3 592 B10R0.71 CSCCCCCCCC#N CNP0327429.0 [0,2,0,0,0,0|1,0,1]=4 593 B10R0.71 CSCCCCCCCCN CNP0083876.0 [0,2,0,0,0,0|0,1,1]=4 594 B10R0.71 CSCCCCCCN=C=S CNP0299975.0 [0,2,0,0,0,0|0,1,1]=4 595 B10R0.71 N#CCCCCCCCC#N CNP0245038.0 [0,2,0,0,0,0|1,0,1]=4 596 B10R0.71 NCCCCCNCCCN CNP0335308.0 [0,2,0,0,0,0|1,0,1]=4 597 B10R0.71 NCCCCNCCCCN CNP0224806.0 [0,2,0,0,0,0|1,0,1]=4 598 B10R0.71 OCCCCCCCCCO CNP0496013.0 [0,2,0,0,0,0|0,0,2]=4 599 B10R0.71 SCCCCCCCCCS CNP0323084.0 [0,2,0,0,0,0|0,1,1]=4 600 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [0,2,0,0,0,0|1,0,1]=4 601 B10R0.41 CCCCCCC(OC)OC CNP0402550.0 [0,2,0,0,0,0|2,0,0]=4 602 B10R0.59 CCC(C)CCCC(C)C=O CNP0002769.0 [0,2,0,0,0,0|0,0,0]=2 603 B10R0.59 CCC(C)CCCC(C)CC CNP0203381.0 [0,2,0,0,0,0|1,0,1]=4 604 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [1,0,0,1,0,0|1,0,1]=4 605 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|0,0,1]=3 606 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|0,0,1]=3 607 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|0,0,1]=3 608 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|0,0,1]=3 609 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|0,0,1]=3 610 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,0,0,1,0,0|1,0,1]=4 611 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|1,0,1]=4 612 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,0,0,1,0,0|1,0,0]=3 613 B8R1.2 NCC1CCOCC1 CNP0398955.0 [1,0,0,1,0,0|2,0,0]=4 614 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|0,0,2]=4 615 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,0,0,1,0,0|0,0,2]=4 616 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|0,0,0]=2 617 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,0,0,1,0,0|1,0,0]=3 618 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [1,0,0,1,0,0|2,0,0]=4 619 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [1,0,0,1,0,0|2,0,0]=4 620 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,0,0,1,0,0|1,0,1]=4 621 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,1,0,0|1,0,1]=4 622 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,0,0,1,0,0|1,0,1]=4 623 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|1,0,1]=4 624 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,0,0,1,0,0|1,0,1]=4 625 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|1,0,1]=4 626 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,0,0,1,0,0|1,0,1]=4 627 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|0,0,1]=3 628 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|1,0,1]=4 629 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|0,0,0]=2 630 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,0,0,1,0,0|0,0,1]=3 631 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|1,0,0]=3 632 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|0,0,1]=3 633 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|0,0,1]=3 634 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,0,0,1,0,0|1,0,1]=4 635 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,0,0,1,0,0|1,0,1]=4 636 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|2,0,0]=4 637 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,0,0,1,0,0|1,0,1]=4 638 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,0,0,1,0,0|1,0,1]=4 639 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,0,0,1,0,0|1,0,1]=4 640 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|1,0,0]=3 641 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [1,0,0,1,0,0|1,0,1]=4 642 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [1,0,0,1,0,0|1,0,1]=4 643 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [1,0,0,1,0,0|1,0,1]=4 644 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [1,0,0,1,0,0|1,0,1]=4 645 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|0,0,1]=3 646 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,1,0,0|1,1,0]=4 647 B8R1.8 CCCC1NCCS1 CNP0002551.0 [1,0,0,1,0,0|1,1,0]=4 648 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,0,0,1,0,0|2,0,0]=4 649 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [1,0,0,1,0,0|0,0,2]=4 650 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|0,0,1]=3 651 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|1,0,1]=4 652 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,0,0,1,0,0|0,0,2]=4 653 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|0,0,0]=2 654 B8R1.11 CCC1SCCC1=O CNP0185206.0 [1,0,0,1,0,0|1,0,0]=3 655 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|0,0,2]=4 656 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|0,0,1]=3 657 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|0,0,2]=4 658 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,1,0,0|1,0,0]=3 659 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [1,0,0,1,0,0|1,0,1]=4 660 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|0,0,1]=3 661 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,1,0,0|2,0,0]=4 662 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [1,0,0,1,0,0|2,0,0]=4 663 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [1,0,0,1,0,0|0,0,2]=4 664 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|0,0,0]=2 665 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|1,0,0]=3 666 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|1,0,0]=3 667 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [1,0,0,1,0,0|2,0,0]=4 668 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|1,0,1]=4 669 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|0,0,1]=3 670 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|1,0,1]=4 671 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|0,0,1]=3 672 B10R1.10 C/C=C/[C@@H]1CCC[C@@H](N1)C CNP0335648.1 [0,1,0,1,0,0|1,0,1]=4 673 B10R1.10 C/C=C/[C@H]1CCC[C@H](N1)C CNP0335648.2 [0,1,0,1,0,0|1,0,1]=4 674 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|0,0,0]=2 675 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,1,0,0|0,0,2]=4 676 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,1,0,1,0,0|1,0,1]=4 677 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,1,0,1,0,0|1,0,1]=4 678 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,1,0,0|0,0,2]=4 679 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,1,0,1,0,0|1,0,1]=4 680 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,1,0,1,0,0|1,0,1]=4 681 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,1,0,1,0,0|1,0,1]=4 682 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,1,0,1,0,0|1,0,1]=4 683 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [0,1,0,1,0,0|2,0,0]=4 684 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [0,1,0,1,0,0|2,0,0]=4 685 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,1,0,1,0,0|0,0,2]=4 686 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|1,0,0]=3 687 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|0,0,0]=2 688 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|0,0,0]=2 689 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,1,0,1,0,0|1,0,1]=4 690 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,1,0,1,0,0|1,0,0]=3 691 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,1,0,1,0,0|1,0,0]=3 692 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,1,0,1,0,0|1,0,0]=3 693 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,1,0,1,0,0|1,0,0]=3 694 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [0,1,0,1,0,0|1,0,0]=3 695 B10R1.18 CC(C)CC1CC=CCC1 CNP0084870.0 [0,1,0,1,0,0|1,0,1]=4 696 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [0,1,0,1,0,0|1,0,1]=4 697 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [0,1,0,1,0,0|1,0,1]=4 698 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [0,1,0,1,0,0|1,0,1]=4 699 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [0,1,0,1,0,0|1,0,1]=4 700 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,1,0,1,0,0|1,0,0]=3 701 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,1,0,1,0,0|1,0,0]=3 702 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,1,0,1,0,0|0,0,0]=2 703 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,1,0,1,0,0|1,0,0]=3 704 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,1,0,1,0,0|1,0,0]=3 705 B10R1.38 CC1(CCCCC1C=O)C CNP0462462.0 [0,1,0,1,0,0|0,0,0]=2 706 B10R1.39 CC(=O)C1CCCC1C#N CNP0001282.0 [0,1,0,1,0,0|1,0,1]=4 707 B10R1.39 CC(=O)[C@H]1COC[C@@H]1CO CNP0311924.1 [0,1,0,1,0,0|2,0,0]=4 708 B10R1.39 CO[C@H]1CCCN1C(=O)N CNP0298876.1 [0,1,0,1,0,0|2,0,0]=4 709 B10R1.61 C=C(C)C1CCCCC1=C CNP0547861.0 [0,1,0,1,0,0|1,0,1]=4 710 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,1,0,1,0,0|1,0,0]=3 711 B10R1.61 CC(=C1CCCCC1=O)C CNP0262850.0 [0,1,0,1,0,0|0,0,2]=4 712 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|0,0,0]=2 713 B10R1.61 CC(C)C1OCCNC1=O CNP0105827.0 [0,1,0,1,0,0|2,0,0]=4 714 B10R1.61 CC(C)[C@@H]1CCCC[C@@H]1O CNP0289802.3 [0,1,0,1,0,0|0,0,2]=4 715 B10R1.61 CC(C)[C@@H]1CCCC[C@H]1O CNP0289802.4 [0,1,0,1,0,0|0,0,2]=4 716 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O CNP0289802.2 [0,1,0,1,0,0|0,0,2]=4 717 B10R1.61 CC(C)[C@H]1CCCC[C@H]1O CNP0289802.1 [0,1,0,1,0,0|0,0,2]=4 718 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,1,0,1,0,0|1,0,0]=3 719 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,1,0,1,0,0|2,0,0]=4 720 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,1,0,1,0,0|2,0,0]=4 721 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,1,0,1,0,0|1,0,0]=3 722 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,1,0,1,0,0|1,0,0]=3 723 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,1,0,1,0,0|1,0,0]=3 724 B10R1.64 C[C@@H](O)C[C@@H]1CCCN1C CNP0115494.4 [0,1,0,1,0,0|2,0,0]=4 725 B10R1.64 C[C@@H](O)C[C@H]1CCCN1C CNP0115494.1 [0,1,0,1,0,0|2,0,0]=4 726 B10R1.64 C[C@H](O)C[C@@H]1CCCN1C CNP0115494.3 [0,1,0,1,0,0|2,0,0]=4 727 B10R1.64 C[C@H](O)C[C@H]1CCCN1C CNP0115494.2 [0,1,0,1,0,0|2,0,0]=4 728 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,1,0,1,0,0|2,0,0]=4 729 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,1,0,1,0,0|2,0,0]=4 730 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,1,0,1,0,0|1,0,0]=3 731 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|0,0,1]=3 732 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|0,0,0]=2 733 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,1,0,0|1,0,0]=3 734 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,1,0,0|1,0,0]=3 735 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,1,0,1,0,0|1,0,0]=3 736 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,1,0,1,0,0|0,0,0]=2 737 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,1,0,1,0,0|1,0,0]=3 738 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,1,0,1,0,0|1,0,0]=3 739 B10R1.11 CCCC(C)C1CCCC1 CNP0519344.0 [0,1,0,1,0,0|1,0,1]=4 740 B10R1.21 C=CCCC=C1CCCC1 CNP0519734.0 [0,1,0,1,0,0|1,0,1]=4 741 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [0,1,0,1,0,0|1,0,1]=4 742 B10R1.21 CCCCCC1NCCS1 CNP0234327.0 [0,1,0,1,0,0|0,1,1]=4 743 B10R1.25 O=C[C]1CCC(CC1O)O CNP0588610.0 [0,1,0,1,0,0|1,0,1]=4 744 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,1,0,1,0,0|0,0,2]=4 745 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,0]=2 746 B10R1.457 CCCCCC1(CC1C)C CNP0570434.0 [0,1,0,1,0,0|1,0,1]=4 747 B10R1.527 COC[C@@]1(OCCC1=O)O CNP0224932.1 [0,1,0,1,0,0|2,0,0]=4 748 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [0,1,0,1,0,0|1,0,1]=4 749 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|0,0,0]=2 750 B10R1.4 CCC[C@@H]1CCCCN1C CNP0256186.1 [0,1,0,1,0,0|1,0,1]=4 751 B10R1.4 CCC[C@H]1CCCCN1C CNP0256186.2 [0,1,0,1,0,0|1,0,1]=4 752 B10R1.4 COCC1CCCC[C@@H]1N CNP0344437.1 [0,1,0,1,0,0|1,0,1]=4 753 B10R1.4 C[C@@H]1COCC[C@@H]1CCO CNP0154189.2 [0,1,0,1,0,0|0,0,2]=4 754 B10R1.4 C[C@@H]1COCC[C@H]1CCO CNP0154189.4 [0,1,0,1,0,0|0,0,2]=4 755 B10R1.4 C[C@H]1COCC[C@@H]1CCO CNP0154189.1 [0,1,0,1,0,0|0,0,2]=4 756 B10R1.4 C[C@H]1COCC[C@H]1CCO CNP0154189.3 [0,1,0,1,0,0|0,0,2]=4 757 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [0,1,0,1,0,0|1,0,1]=4 758 B10R1.17 CCCCC1=NCCCC1 CNP0257195.0 [0,1,0,1,0,0|1,0,1]=4 759 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [0,1,0,1,0,0|1,0,1]=4 760 B10R1.17 CCCCN1CCCCC1 CNP0144068.0 [0,1,0,1,0,0|1,0,1]=4 761 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [0,1,0,1,0,0|0,0,0]=2 762 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,1,0,1,0,0|0,0,2]=4 763 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|1,0,0]=3 764 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|0,0,1]=3 765 B10R1.20 COC1CCCCC1OC CNP0612215.0 [0,1,0,1,0,0|2,0,0]=4 766 B10R1.20 O=CN1CCCCC1CO CNP0303118.0 [0,1,0,1,0,0|1,0,0]=3 767 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [0,1,0,1,0,0|0,0,2]=4 768 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [0,1,0,1,0,0|1,0,0]=3 769 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [0,1,0,1,0,0|1,0,1]=4 770 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [0,1,0,1,0,0|1,0,1]=4 771 B10R1.1 CC1CCC(CC1)N=C=O CNP0522319.0 [0,1,0,1,0,0|1,0,1]=4 772 B10R1.1 CCC[C@@H]1CC[C@@H](CN1)O CNP0303716.2 [0,1,0,1,0,0|1,0,1]=4 773 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [0,1,0,1,0,0|1,0,1]=4 774 B10R1.1 CCC[C@H]1CC[C@@H](CN1)O CNP0303716.1 [0,1,0,1,0,0|1,0,1]=4 775 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 CNP0379746.1 [0,1,0,1,0,0|1,0,1]=4 776 B10R1.27 CNC(C)CC1CCCC1 CNP0286967.0 [0,1,0,1,0,0|2,0,0]=4 777 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|0,0,1]=3 778 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,1,0,0|0,0,0]=2 779 B10R1.149 O=C1CCCN1C(P)CP CNP0217897.0 [0,1,0,1,0,0|2,0,0]=4 780 B10R2.110 C1CCC2CCC2CC1 CNP0542798.0 [0,0,0,2,0,0|1,0,1]=4 781 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|2,0,0]=4 782 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|2,0,0]=4 783 B10R2.7 C1=CC2CCCCC2C1 CNP0590216.0 [0,0,0,2,0,0|1,0,0]=3 784 B10R2.7 C1CC[C@@H]2CNC[C@H]2C1 CNP0486232.1 [0,0,0,2,0,0|1,0,1]=4 785 B10R2.7 C1CC[C@H]2CCC[C@H]2C1 CNP0076465.1 [0,0,0,2,0,0|1,0,1]=4 786 B10R2.7 C1CC[C@H]2CNC[C@@H]2C1 CNP0486232.3 [0,0,0,2,0,0|1,0,1]=4 787 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 CNP0486232.2 [0,0,0,2,0,0|1,0,1]=4 788 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [0,0,0,2,0,0|1,0,1]=4 789 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [0,0,0,2,0,0|0,0,2]=4 790 B10R2.62 O[C@@H]1C[C@H]2C=C[C@@H]1CC2 CNP0395567.1 [0,0,0,2,0,0|2,0,0]=4 791 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [0,0,0,2,0,0|2,0,0]=4 792 B10R2.408 C1C[C@H]2CCC[C@@H](C1)S2 CNP0191690.1 [0,0,0,2,0,0|0,1,1]=4 793 B10R2.409 C1CC2CCC1CNC2 CNP0190314.0 [0,0,0,2,0,0|2,0,0]=4 794 B10R2.32 C=C1CCN2[C@H]1CCC2 CNP0287271.1 [0,0,0,2,0,0|2,0,0]=4 795 B10R2.32 C[C@@H]1CS[C@H]2[C@H]1CCC2 CNP0357997.1 [0,0,0,2,0,0|2,0,0]=4 796 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,2,0,0|1,0,0]=3 797 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,0,0,2,0,0|1,0,0]=3 798 B10R2.41 CN1[C@@H]2CCC[C@H]1CC2 CNP0085489.1 [0,0,0,2,0,0|2,0,0]=4 799 B10R2.109 C=CC1CCC2OC2C1 CNP0491620.0 [0,0,0,2,0,0|2,0,0]=4 800 B10R2.82 CCCCC1CC12CC2 CNP0076165.0 [0,0,0,2,0,0|1,0,1]=4 801 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,2,0,0|0,0,2]=4 802 B10R2.201 [O-][N+]12CCCC1CCC2 CNP0572592.0 [0,0,0,2,0,0|1,0,1]=4