0 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 C#CCCCCC#C CNP0602707.0 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,0,0,0,0,0|0,0,4]=4 4 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.1 C=CCCCCC=C CNP0118215.0 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.1 C=CCCCCCO CNP0075956.0 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.1 C=CCCCN=C=S CNP0144953.0 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.1 C=CCCN=CC=S CNP0091885.0 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 C=CCSSC=CC CNP0226902.0 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 C=CCSSCC=C CNP0311793.0 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 C=CCSSCCC CNP0170059.0 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.1 C=CCSSSSC CNP0120884.0 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,0,0,0,0|0,0,4]=4 17 B7R0.1 CC=CCCC=CC CNP0082120.0 [0,0,0,0,0,0|0,0,4]=4 18 B7R0.1 CC=CCCCCC CNP0199237.0 [0,0,0,0,0,0|0,0,2]=2 19 B7R0.1 CC=CCSCCC CNP0536250.0 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.1 CC=CSSCCC CNP0421889.0 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 CCC#CCCCC CNP0602501.0 [0,0,0,0,0,0|0,0,4]=4 22 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.1 CCC=CCCCC CNP0084702.0 [0,0,0,0,0,0|0,0,4]=4 24 B7R0.1 CCC=CCCCO CNP0003503.0 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.1 CCCC#CCCC CNP0381743.0 [0,0,0,0,0,0|0,0,4]=4 26 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,0,0,0,0,0|1,0,2]=3 28 B7R0.1 CCCC=CCCC CNP0541880.0 [0,0,0,0,0,0|0,0,4]=4 29 B7R0.1 CCCC=CCCO CNP0287313.0 [0,0,0,0,0,0|1,0,3]=4 30 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.1 CCCCC=CCO CNP0191159.0 [0,0,0,0,0,0|1,0,3]=4 32 B7R0.1 CCCCCCC#N CNP0186663.0 [0,0,0,0,0,0|1,0,1]=2 33 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,0,0,0,0|1,0,0]=1 34 B7R0.1 CCCCCCCC CNP0286567.0 [0,0,0,0,0,0|0,0,2]=2 35 B7R0.1 CCCCCCCN CNP0186919.0 [0,0,0,0,0,0|1,0,1]=2 36 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,0,0,0,0|1,0,1]=2 37 B7R0.1 CCCCCCNC CNP0413437.0 [0,0,0,0,0,0|1,0,1]=2 38 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.1 CCCCCOC=O CNP0294368.0 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.1 CCCCCOCC CNP0520137.0 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.1 CCCCCON=O CNP0511882.0 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.1 CCCCCSSC CNP0201479.0 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.1 CCCCNCCO CNP0185911.0 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.1 CCCCOCCO CNP0080154.0 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.1 CCCSSCCC CNP0328321.0 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.1 CCNCCCCN CNP0107714.0 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.1 CCNCCNCC CNP0103183.0 [0,0,0,0,0,0|2,0,2]=4 50 B7R0.1 CNCCCCCN CNP0390055.0 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.1 CNCCCCNC CNP0145070.0 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.1 COCCOCCO CNP0610336.0 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.1 CSCCCC=NO CNP0610383.0 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.1 CSCCCCC#N CNP0183103.0 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.1 CSCCCN=C=S CNP0228923.0 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.1 N#CCCCCC#N CNP0109199.0 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.1 NCCCCCCN CNP0230906.0 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.1 NCCCCCCO CNP0568466.0 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.1 NCCCCCNO CNP0455910.0 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.1 NCCCNCCS CNP0050642.0 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.1 OCCCCCCBr CNP0593386.0 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.1 OCCCCCCO CNP0080019.0 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.1 OCCCCCCS CNP0154751.0 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.1 OCCCSCCO CNP0079791.0 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.1 S=C=NCCCCS CNP0504519.0 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.1 SCCCCCCS CNP0089642.0 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [0,0,0,0,0,0|1,0,2]=3 69 B6R0.6 C#CCCCCO CNP0289179.0 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|0,0,2]=3 71 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|0,0,2]=3 72 B6R0.6 C=CCCCC#N CNP0287374.0 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.6 C=CCCCC=C CNP0115869.0 [1,0,0,0,0,0|0,0,2]=3 74 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|0,0,0]=1 75 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.6 C=CCCN=C=S CNP0107519.0 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.6 C=CCCSC#N CNP0532187.0 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 C=CCNCC=C CNP0443858.0 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.6 C=CCOCCO CNP0248950.0 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.6 C=CCSCC=C CNP0303954.0 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.6 C=CCSSSC CNP0338885.0 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.6 CC#CCCCO CNP0320046.0 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|0,0,2]=3 87 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|1,0,2]=4 88 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|1,0,2]=4 90 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|0,0,3]=4 93 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|1,0,2]=4 97 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|1,0,0]=2 101 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|0,0,1]=2 102 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|1,0,0]=2 105 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|1,0,0]=2 106 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|1,0,1]=3 107 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.6 CCCCN=C=S CNP0328773.0 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.6 CNCCCCN CNP0157274.0 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.6 COCCCCO CNP0570905.0 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.6 CSCCCC#N CNP0286857.0 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.6 CSCCCCO CNP0002400.0 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.6 CSCCCN=S CNP0092190.0 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.6 ClCCOCCCl CNP0082891.0 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.6 NCCCCCN CNP0184259.0 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.6 NCCCCCO CNP0032450.0 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.6 NCCOCCN CNP0447264.0 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.6 OCCCCCO CNP0201249.0 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.6 OCCNCCO CNP0247543.0 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.6 OCCOCCO CNP0333860.0 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.6 OCCSCCO CNP0335773.0 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [1,0,0,0,0,0|1,0,2]=4 139 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,1,0,0,0,0|0,0,0]=1 140 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,0,0,0,0|0,0,0]=1 142 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,0,0,0,0|0,0,0]=1 143 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,0,0,0,0|1,0,1]=3 144 B8R0.1 C=CCOS(=S)CCC CNP0539832.0 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.1 C=CCS(=S)OCCC CNP0529420.0 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.1 C=CCS[S+]([O-])CCC CNP0600952.0 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.1 C=CC[S+]([O-])SCCC CNP0550050.0 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,0,0,0,0|0,0,3]=4 149 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,1,0,0,0,0|0,0,2]=3 150 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,1,0,0,0,0|1,0,1]=3 151 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,0,0,0,0|0,0,3]=4 152 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,0,0,0,0|0,0,2]=3 153 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,0,0,0,0|0,0,2]=3 154 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.4 C#CCCCCCC#C CNP0595373.0 [0,1,0,0,0,0|0,0,3]=4 158 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,1,0,0,0,0|0,0,1]=2 159 B8R0.4 C=CCCCCCC=C CNP0320273.0 [0,1,0,0,0,0|0,0,1]=2 160 B8R0.4 C=CCCCCCC=O CNP0184185.0 [0,1,0,0,0,0|0,0,1]=2 161 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,1,0,0,0,0|0,0,0]=1 162 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,1,0,0,0,0|0,0,0]=1 163 B8R0.4 C=CCCCCN=C=S CNP0002692.0 [0,1,0,0,0,0|1,0,1]=3 164 B8R0.4 C=CCCCN=CC=S CNP0418197.0 [0,1,0,0,0,0|1,0,2]=4 165 B8R0.4 C=CCSSSCCC CNP0080526.0 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.4 CC#CCCCCCC CNP0610539.0 [0,1,0,0,0,0|0,0,2]=3 167 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,1,0,0,0,0|0,0,2]=3 168 B8R0.4 CC=CC#CCCCC CNP0343796.0 [0,1,0,0,0,0|0,0,2]=3 169 B8R0.4 CC=CC#CCCCO CNP0536748.0 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [0,1,0,0,0,0|0,0,3]=4 172 B8R0.4 CC=CCCC=CCO CNP0076887.0 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.4 CC=CCCCCC=O CNP0181844.0 [0,1,0,0,0,0|1,0,1]=3 174 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,1,0,0,0,0|0,0,0]=1 175 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.4 CC=CCSCC=CC CNP0134379.0 [0,1,0,0,0,0|1,0,2]=4 177 B8R0.4 CC=CSSCCCC CNP0612155.0 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.4 CC=CSSSCCC CNP0003371.0 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,1,0,0,0,0|1,0,1]=3 180 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,1,0,0,0,0|0,0,2]=3 181 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,1,0,0,0,0|1,0,2]=4 182 B8R0.4 CCC=CCCOC=O CNP0053041.0 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.4 CCCC#CCCCC CNP0399647.0 [0,1,0,0,0,0|0,0,3]=4 184 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,1,0,0,0,0|0,0,3]=4 185 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,1,0,0,0,0|0,0,3]=4 186 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,1,0,0,0,0|1,0,2]=4 188 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,1,0,0,0,0|1,0,2]=4 190 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,1,0,0,0,0|1,0,2]=4 191 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,1,0,0,0,0|0,0,1]=2 192 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,1,0,0,0,0|0,0,2]=3 193 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,1,0,0,0,0|0,0,0]=1 194 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,1,0,0,0,0|1,0,0]=2 195 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,1,0,0,0,0|0,0,2]=3 196 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,1,0,0,0,0|0,0,1]=2 197 B8R0.4 CCCCCCCCC CNP0402619.0 [0,1,0,0,0,0|0,0,2]=3 198 B8R0.4 CCCCCCCCN CNP0065900.0 [0,1,0,0,0,0|0,0,2]=3 199 B8R0.4 CCCCCCCCO CNP0368614.0 [0,1,0,0,0,0|0,0,2]=3 200 B8R0.4 CCCCCCCNC CNP0216624.0 [0,1,0,0,0,0|0,0,2]=3 201 B8R0.4 CCCCCCCOO CNP0566054.0 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,1,0,0,0,0|0,0,1]=2 203 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,1,0,0,0,0|1,0,1]=3 204 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,1,0,0,0,0|1,0,0]=2 205 B8R0.4 CCCCCCOCC CNP0609034.0 [0,1,0,0,0,0|0,0,2]=3 206 B8R0.4 CCCCCCSSC CNP0510251.0 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.4 CCCCNCCCC CNP0203128.0 [0,1,0,0,0,0|0,0,2]=3 208 B8R0.4 CCCCOCCCC CNP0077266.0 [0,1,0,0,0,0|0,0,2]=3 209 B8R0.4 CCCCOCCCO CNP0141373.0 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.4 CCCCSCCCC CNP0370059.0 [0,1,0,0,0,0|0,0,2]=3 211 B8R0.4 CCCCSSCCC CNP0003137.0 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.4 CCNCCCNCC CNP0239670.0 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.4 CCOCCOCCO CNP0079970.0 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.4 COCCOCCOC CNP0466646.0 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.4 CSCCCCCC#N CNP0267304.0 [0,1,0,0,0,0|1,0,1]=3 217 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.4 CSCCCCSC#N CNP0216108.0 [0,1,0,0,0,0|2,0,1]=4 219 B8R0.4 CSCCCN=CC=S CNP0098576.0 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.4 N#CCCCCCC#N CNP0111004.0 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.4 NCCCNCCCN CNP0609056.0 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.4 NCCCOCCCN CNP0453820.0 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [0,1,0,0,0,0|0,0,2]=3 225 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,1,0,0,0,0|0,0,3]=4 226 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,0,0,0,0|0,0,1]=2 227 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,0,0,0,0|1,0,1]=3 228 B8R0.6 C=CC(O)CCC=CC CNP0288913.0 [0,1,0,0,0,0|0,0,2]=3 229 B8R0.6 C=CCCCC(=C)C=C CNP0546296.0 [0,1,0,0,0,0|0,0,3]=4 230 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [0,1,0,0,0,0|0,0,2]=3 231 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,1,0,0,0,0|0,0,2]=3 232 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,1,0,0,0,0|0,0,2]=3 233 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,1,0,0,0,0|0,0,2]=3 234 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,1,0,0,0,0|0,0,0]=1 235 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,1,0,0,0,0|0,0,2]=3 236 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,1,0,0,0,0|0,0,2]=3 237 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,1,0,0,0,0|0,0,0]=1 238 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,0,0,0,0|0,0,2]=3 239 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,1,0,0,0,0|1,0,2]=4 241 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|0,0,3]=4 243 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,0,0,0,0|1,0,2]=4 245 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,0,0,0,0|1,0,2]=4 246 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,0,0,0,0|0,0,2]=3 248 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|0,0,2]=3 249 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,0,0,0,0|0,0,2]=3 250 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,1,0,0,0,0|1,0,1]=3 251 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,0,0,0,0|1,0,1]=3 253 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,0,0,0,0|1,0,1]=3 254 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,0,0,0,0|0,0,0]=1 256 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,1,0,0,0,0|0,0,3]=4 257 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,0,0,0,0|0,0,1]=2 258 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,0,0,0,0|0,0,0]=1 259 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,1,0,0,0,0|1,0,1]=3 260 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,1,0,0,0,0|1,0,2]=4 261 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,0,0,0,0|1,0,0]=2 264 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,0,0,0,0|1,0,1]=3 265 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,1,0,0,0,0|0,0,3]=4 268 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,1,0,0,0,0|1,0,2]=4 269 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,0,0,0,0|0,0,3]=4 270 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,0,0,0,0|1,0,2]=4 271 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,0,0,0,0|1,0,2]=4 272 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,0,0,0,0|0,0,3]=4 273 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,0,0,0,0|0,0,2]=3 275 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,0,0,0,0|0,0,2]=3 276 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,0,0,0,0|0,0,1]=2 277 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,0,0,0,0|1,0,0]=2 278 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,0,0,0,0|1,0,0]=2 279 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,0,0,0,0|0,0,2]=3 281 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,1,0,0,0,0|0,0,2]=3 282 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,1,0,0,0,0|0,0,2]=3 283 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,1,0,0,0,0|0,0,2]=3 284 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,1,0,0,0,0|0,0,2]=3 285 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,0,0,0,0|2,0,0]=3 286 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,1,0,0,0,0|2,0,0]=3 287 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,0,0,0,0|1,0,1]=3 288 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,0,0,0,0|2,0,0]=3 289 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,1,0,0,0,0|1,0,2]=4 290 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,0,0,0,0|1,0,1]=3 291 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.7 CSCCCNC(=S)N CNP0388226.0 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [0,1,0,0,0,0|2,0,1]=4 295 B8R0.7 C[S+]([O-])CCCCC#N CNP0595821.0 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.7 C[S@@+]([O-])CCCCC#N CNP0595821.1 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.7 N=C(N)NCCCCN CNP0572375.0 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.7 N=C(N)NCCCCO CNP0103952.0 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.7 NC(=NCCCCO)N CNP0537615.0 [0,1,0,0,0,0|3,0,0]=4 300 B8R0.7 NC(=S)NCCCCO CNP0407776.0 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,0,0,0,0|2,0,0]=3 302 B8R0.7 NCCCCN=C(N)N CNP0307539.0 [0,1,0,0,0,0|3,0,0]=4 303 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,1,0,0,0,0|3,0,0]=4 304 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,0,0,0,0|2,0,0]=3 305 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,1,0,0,0,0|2,0,1]=4 306 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,0,0,1,0,0|1,0,0]=2 307 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,0,0,1,0,0|0,0,2]=3 308 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,0,1,0,0|0,0,2]=3 309 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,0,0,1,0,0|0,0,2]=3 310 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [0,0,0,1,0,0|2,0,0]=3 311 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,0,0,1,0,0|1,0,1]=3 312 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,1,0,0|0,0,0]=1 313 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,0,0,1,0,0|1,0,1]=3 314 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,0,0,1,0,0|1,0,1]=3 315 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,0,0,1,0,0|1,0,2]=4 316 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,0,0,1,0,0|1,0,2]=4 317 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,0,0,1,0,0|1,0,1]=3 318 B8R1.2 NCC1CCOCC1 CNP0398955.0 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,0,0,1,0,0|1,0,2]=4 320 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,0,0,1,0,0|1,0,2]=4 321 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,0,0,1,0,0|1,0,0]=2 322 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,0,0,1,0,0|2,0,0]=3 323 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,0,0,1,0,0|3,0,0]=4 324 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,0,0,1,0,0|1,0,2]=4 326 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,0,0,1,0,0|1,0,2]=4 327 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,0,0,1,0,0|1,0,0]=2 328 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,0,0,1,0,0|1,0,2]=4 330 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,0,0,1,0,0|2,0,1]=4 331 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,0,0,1,0,0|1,0,2]=4 332 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,0,0,1,0,0|2,0,1]=4 334 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,0,0,1,0,0|2,0,1]=4 335 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,0,0,1,0,0|1,0,1]=3 336 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,1,0,0|0,0,0]=1 337 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,0,0,1,0,0|1,0,2]=4 338 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,0,0,1,0,0|1,0,1]=3 339 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,0,0|1,0,0]=2 340 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,0,1,0,0|1,0,1]=3 341 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,1,0,0|2,0,0]=3 342 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,0,0,1,0,0|0,0,2]=3 343 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,0,0,1,0,0|0,0,2]=3 344 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,0,0,1,0,0|2,0,1]=4 345 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,0,0,1,0,0|3,0,0]=4 347 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,0,0,1,0,0|2,0,1]=4 348 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,0,0,1,0,0|2,0,1]=4 349 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,1,0,0|2,0,0]=3 351 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,0,0,1,0,0|2,0,1]=4 352 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,0,0,1,0,0|2,0,1]=4 353 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,0,0,1,0,0|2,0,1]=4 354 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,0,0,1,0,0|2,0,1]=4 355 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,1,0,0|1,0,2]=4 356 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,1,0,0|1,0,2]=4 357 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,0,0,1,0,0|0,0,2]=3 358 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,0,0,1,0,0|2,0,0]=3 359 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,0,0,1,0,0|2,0,1]=4 360 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,0,0,1,0,0|1,0,2]=4 361 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [0,0,0,1,0,0|2,0,1]=4 362 B8R1.8 NCCC1CN=CN1 CNP0562963.0 [0,0,0,1,0,0|3,0,0]=4 363 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [0,0,0,1,0,0|1,0,2]=4 364 B8R1.9 CC1SC1CCC#N CNP0082792.0 [0,0,0,1,0,0|2,0,1]=4 365 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,0,0,1,0,0|0,0,2]=3 366 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,0,0,1,0,0|0,0,2]=3 367 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,0,0,1,0,0|1,0,2]=4 368 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,0,0,1,0,0|1,0,0]=2 369 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,0,0,1,0,0|2,0,0]=3 370 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,0,0,1,0,0|1,0,2]=4 371 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,0,0,1,0,0|0,0,2]=3 372 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,0,0,1,0,0|1,0,2]=4 373 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,0,0,1,0,0|2,0,0]=3 374 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,0,0,1,0,0|2,0,1]=4 375 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|0,0,2]=3 376 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|2,0,0]=3 377 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,1,0,0|2,0,0]=3 378 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|1,0,2]=4 379 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|1,0,0]=2 380 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|2,0,0]=3 381 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|2,0,0]=3 382 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,1,0,0|3,0,0]=4 383 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|2,0,0]=3 384 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,0,1,0,0|0,0,2]=3 385 B8R1.36 CCCOCC1CO1 CNP0085753.0 [0,0,0,1,0,0|2,0,1]=4 386 B8R1.36 N#CCCC[C@H]1CS1 CNP0273996.1 [0,0,0,1,0,0|2,0,1]=4 387 B8R1.49 C1#CCCC=CCC1 CNP0593767.0 [0,0,0,1,0,0|0,0,2]=3 388 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,0,0,1,0,0|0,0,2]=3 389 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,1,0,0|0,0,0]=1 390 B5R0.2 C=CC=CCC CNP0495438.0 [2,0,0,0,0,0|0,0,2]=4 391 B5R0.2 C=CCC=CC CNP0292090.0 [2,0,0,0,0,0|0,0,2]=4 392 B5R0.2 C=CCCC#N CNP0248596.0 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.2 C=CCCC=C CNP0079781.0 [2,0,0,0,0,0|0,0,2]=4 394 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|1,0,1]=4 395 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,0]=2 396 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.2 C=CCSSC CNP0333880.0 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.2 C=CSSCC CNP0003136.0 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,2]=4 401 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|1,0,1]=4 402 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,0]=3 404 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,0]=3 405 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,0]=2 406 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,0]=3 407 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,0]=3 408 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|1,0,0]=3 409 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|1,0,0]=3 410 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,0]=3 411 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,0]=3 412 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,0]=3 413 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.2 CCSSCC CNP0416624.0 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.2 CNCCNC CNP0480039.0 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.2 COCCOC CNP0144142.0 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.2 NCCCCN CNP0116270.0 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.2 NCCCCO CNP0514594.0 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.2 OCCCCBr CNP0083982.0 [2,0,0,0,0,0|2,0,0]=4 431 B5R0.2 OCCCCCl CNP0079807.0 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|1,0,1]=4 434 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|1,0,1]=4 435 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|0,0,2]=4 436 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,1,0,0,0,0|0,0,2]=4 437 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|0,0,1]=3 438 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,1,0,0,0,0|0,0,0]=2 439 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,1,0,0,0,0|0,0,0]=2 440 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,1,0,0,0,0|0,0,0]=2 445 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|1,0,0]=3 446 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|0,0,2]=4 447 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|0,0,1]=3 451 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|0,0,1]=3 452 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|1,0,0]=3 453 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,1,0,0,0,0|0,0,1]=3 455 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,1,0,0,0,0|0,0,2]=4 459 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|0,0,0]=2 460 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,1,0,0,0,0|1,0,1]=4 461 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,1,0,0,0,0|0,0,0]=2 462 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,1,0,0,0,0|1,0,0]=3 464 B7R0.4 CC(C)CCNC=O CNP0473179.0 [1,1,0,0,0,0|2,0,0]=4 465 B7R0.4 CC(C)CCOC=O CNP0324042.0 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,1,0,0,0,0|1,0,0]=3 467 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|0,0,1]=3 468 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,1,0,0,0,0|0,0,1]=3 472 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,1,0,0,0,0|0,0,1]=3 474 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,1,0,0,0,0|0,0,1]=3 475 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,1,0,0,0,0|0,0,1]=3 476 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,1,0,0,0,0|0,0,1]=3 477 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,1,0,0,0,0|0,0,1]=3 478 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,1,0,0,0,0|0,0,1]=3 479 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,1,0,0,0,0|2,0,0]=4 480 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,1,0,0,0,0|2,0,0]=4 490 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,1,0,0,0,0|0,0,1]=3 493 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,1,0,0,0,0|0,0,2]=4 494 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,1,0,0,0,0|0,0,2]=4 495 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|0,0,2]=4 498 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|0,0,2]=4 499 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,1,0,0,0,0|0,0,2]=4 500 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|1,0,0]=3 501 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,1,0,0,0,0|0,0,1]=3 502 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,1,0,0,0,0|0,0,1]=3 503 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,1,0,0,0,0|1,0,0]=3 509 B7R0.7 OCCC(O)CCO CNP0198973.0 [1,1,0,0,0,0|2,0,0]=4 510 B9R0.4 C=CCC[C@@H](C)C=C(C)C CNP0076360.1 [0,2,0,0,0,0|0,0,2]=4 511 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,2,0,0,0,0|1,0,1]=4 512 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,2,0,0,0,0|0,0,2]=4 513 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,2,0,0,0,0|1,0,0]=3 514 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [0,2,0,0,0,0|0,0,2]=4 515 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,2,0,0,0,0|1,0,0]=3 517 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [0,2,0,0,0,0|0,0,2]=4 518 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [0,2,0,0,0,0|2,0,0]=4 519 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [0,2,0,0,0,0|2,0,0]=4 520 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.5 C/C=C/[S@@+]([O-])SCCCC CNP0553305.1 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.5 C/C=C/[S@@H+]([O-])SCCCC CNP0479452.1 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,2,0,0,0,0|0,0,0]=2 525 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,2,0,0,0,0|0,0,0]=2 526 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,2,0,0,0,0|0,0,1]=3 527 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,2,0,0,0,0|0,0,1]=3 528 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,2,0,0,0,0|0,0,1]=3 529 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,2,0,0,0,0|1,0,1]=4 530 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,2,0,0,0,0|0,0,1]=3 531 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,2,0,0,0,0|1,0,0]=3 532 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|0,0,2]=4 533 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|1,0,1]=4 534 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [0,2,0,0,0,0|0,0,1]=3 535 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [0,2,0,0,0,0|0,0,1]=3 536 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,2,0,0,0,0|0,0,2]=4 537 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,2,0,0,0,0|0,0,0]=2 539 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,2,0,0,0,0|0,0,2]=4 540 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,2,0,0,0,0|0,0,2]=4 541 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,2,0,0,0,0|0,0,2]=4 542 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,2,0,0,0,0|0,0,2]=4 543 B9R0.8 CCCC[C@@H](O)[C@H](O)CO CNP0487375.1 [0,2,0,0,0,0|1,0,1]=4 544 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,2,0,0,0,0|0,0,2]=4 545 B9R0.18 C/C=C/S[S@@+]([O-])CCCC CNP0596048.2 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.18 C/C=C/S[S@@H+]([O-])CCCC CNP0583303.1 [0,2,0,0,0,0|2,0,0]=4 547 B9R0.18 C/C=C\S[S@@+]([O-])CCCC CNP0596048.1 [0,2,0,0,0,0|2,0,0]=4 548 B9R0.18 C/C=C\S[S@@H+]([O-])CCCC CNP0583303.2 [0,2,0,0,0,0|2,0,0]=4 549 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,2,0,0,0,0|0,0,1]=3 550 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,2,0,0,0,0|0,0,2]=4 551 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,2,0,0,0,0|0,0,2]=4 552 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,2,0,0,0,0|0,0,2]=4 553 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [0,2,0,0,0,0|0,0,2]=4 554 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,2,0,0,0,0|0,0,2]=4 555 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,2,0,0,0,0|1,0,1]=4 556 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [0,2,0,0,0,0|0,0,2]=4 557 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [0,2,0,0,0,0|0,0,2]=4 558 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,2,0,0,0,0|1,0,1]=4 559 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|0,0,2]=4 560 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,2,0,0,0,0|0,0,1]=3 561 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,2,0,0,0,0|0,0,2]=4 562 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,2,0,0,0,0|1,0,0]=3 563 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,2,0,0,0,0|1,0,0]=3 565 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,2,0,0,0,0|1,0,0]=3 566 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,2,0,0,0,0|0,0,1]=3 567 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,2,0,0,0,0|0,0,1]=3 568 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,2,0,0,0,0|0,0,0]=2 569 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,2,0,0,0,0|0,0,1]=3 570 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,2,0,0,0,0|1,0,1]=4 571 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [0,2,0,0,0,0|0,0,1]=3 572 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,2,0,0,0,0|1,0,1]=4 573 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [0,2,0,0,0,0|1,0,0]=3 574 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,2,0,0,0,0|1,0,1]=4 575 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,2,0,0,0,0|0,0,2]=4 576 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,2,0,0,0,0|1,0,1]=4 577 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,2,0,0,0,0|1,0,1]=4 578 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,2,0,0,0,0|0,0,1]=3 579 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,2,0,0,0,0|0,0,1]=3 580 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,2,0,0,0,0|0,0,1]=3 581 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,2,0,0,0,0|0,0,1]=3 582 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,2,0,0,0,0|0,0,1]=3 583 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,2,0,0,0,0|0,0,1]=3 584 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,2,0,0,0,0|0,0,1]=3 585 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,2,0,0,0,0|0,0,1]=3 586 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,2,0,0,0,0|0,0,1]=3 587 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,2,0,0,0,0|0,0,1]=3 588 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,2,0,0,0,0|0,0,1]=3 589 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,2,0,0,0,0|0,0,1]=3 590 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,2,0,0,0,0|0,0,2]=4 591 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,2,0,0,0,0|0,0,2]=4 592 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,2,0,0,0,0|0,0,2]=4 593 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,2,0,0,0,0|1,0,1]=4 595 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,2,0,0,0,0|0,0,1]=3 596 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,2,0,0,0,0|1,0,0]=3 597 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.2 CSCCCCNC(=N)S CNP0609247.0 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,2,0,0,0,0|2,0,0]=4 600 B9R0.2 C[S@+]([O-])CCCCCC#N CNP0534941.2 [0,2,0,0,0,0|1,0,1]=4 601 B9R0.2 C[S@@+]([O-])CCCCCC#N CNP0534941.1 [0,2,0,0,0,0|1,0,1]=4 602 B9R0.2 N=C(N)NCCCCCN CNP0326805.0 [0,2,0,0,0,0|2,0,0]=4 603 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,2,0,0,0,0|1,0,0]=3 604 B9R0.45 C#CC#CCCCCC=C CNP0264482.0 [0,2,0,0,0,0|0,0,2]=4 605 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [0,2,0,0,0,0|0,0,0]=2 606 B9R0.45 C#CCCC#CCCCC CNP0154366.0 [0,2,0,0,0,0|0,0,2]=4 607 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,2,0,0,0,0|0,0,2]=4 608 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,2,0,0,0,0|0,0,2]=4 609 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,2,0,0,0,0|0,0,0]=2 610 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [0,2,0,0,0,0|0,0,2]=4 611 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [0,2,0,0,0,0|0,0,0]=2 612 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,2,0,0,0,0|0,0,0]=2 613 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,2,0,0,0,0|0,0,0]=2 614 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [0,2,0,0,0,0|0,0,1]=3 615 B9R0.45 CC#CCCCCCCC CNP0076890.0 [0,2,0,0,0,0|0,0,2]=4 616 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,2,0,0,0,0|0,0,1]=3 617 B9R0.45 CC=CCSSCCCC CNP0548815.0 [0,2,0,0,0,0|1,0,0]=3 618 B9R0.45 CCC#CCCCCCC CNP0606734.0 [0,2,0,0,0,0|0,0,2]=4 619 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,2,0,0,0,0|0,0,2]=4 620 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [0,2,0,0,0,0|0,0,2]=4 621 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [0,2,0,0,0,0|1,0,0]=3 622 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,2,0,0,0,0|0,0,0]=2 623 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,2,0,0,0,0|1,0,0]=3 624 B9R0.45 CCCC#CCCCCC CNP0576219.0 [0,2,0,0,0,0|0,0,2]=4 625 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,2,0,0,0,0|0,0,2]=4 626 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,2,0,0,0,0|0,0,2]=4 627 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,2,0,0,0,0|0,0,2]=4 628 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [0,2,0,0,0,0|1,0,0]=3 629 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,2,0,0,0,0|0,0,1]=3 630 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,2,0,0,0,0|0,0,2]=4 631 B9R0.45 CCCCCCC#CCO CNP0485953.0 [0,2,0,0,0,0|0,0,2]=4 632 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [0,2,0,0,0,0|0,0,0]=2 633 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,2,0,0,0,0|0,0,0]=2 634 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,2,0,0,0,0|0,0,1]=3 635 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,2,0,0,0,0|0,0,0]=2 636 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,2,0,0,0,0|0,0,1]=3 637 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,2,0,0,0,0|0,0,2]=4 638 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,2,0,0,0,0|0,0,1]=3 639 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,2,0,0,0,0|0,0,2]=4 640 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,2,0,0,0,0|0,0,2]=4 641 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,2,0,0,0,0|0,0,2]=4 642 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,2,0,0,0,0|0,0,2]=4 643 B9R0.45 CCCCCCCNC=O CNP0503918.0 [0,2,0,0,0,0|0,0,1]=3 644 B9R0.45 CCCCCCCOC=O CNP0272781.0 [0,2,0,0,0,0|0,0,1]=3 645 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,2,0,0,0,0|0,0,2]=4 646 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,2,0,0,0,0|0,0,2]=4 647 B9R0.45 CCCCCOCCCC CNP0134382.0 [0,2,0,0,0,0|0,0,2]=4 648 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,2,0,0,0,0|0,0,2]=4 649 B9R0.45 CCOCCOCCOC CNP0567615.0 [0,2,0,0,0,0|1,0,1]=4 650 B9R0.45 CSCCCCCC#[N+][O-] CNP0559721.0 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.45 CSCCCCCC=NO CNP0405939.0 [0,2,0,0,0,0|1,0,0]=3 652 B9R0.45 CSCCCCCCC#N CNP0328653.0 [0,2,0,0,0,0|0,0,2]=4 653 B9R0.45 CSCCCCCN=C=S CNP0328420.0 [0,2,0,0,0,0|1,0,1]=4 654 B9R0.45 N#CCCCCCCC#N CNP0370279.0 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.45 NCCCCCCCCN CNP0462737.0 [0,2,0,0,0,0|0,0,2]=4 656 B9R0.45 NCCCCNCCCN CNP0279184.0 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.45 NCCCNCCCC=O CNP0100864.0 [0,2,0,0,0,0|1,0,0]=3 658 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,2,0,0,0,0|0,0,2]=4 659 B9R0.45 SCCCCCCCCS CNP0058300.0 [0,2,0,0,0,0|0,0,2]=4 660 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,2,0,0,0,0|0,0,0]=2 661 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,2,0,0,0,0|0,0,0]=2 663 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,2,0,0,0,0|0,0,0]=2 664 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,2,0,0,0,0|0,0,0]=2 665 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,2,0,0,0,0|0,0,0]=2 666 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,2,0,0,0,0|0,0,0]=2 667 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,2,0,0,0,0|0,0,1]=3 668 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,2,0,0,0,0|0,0,1]=3 669 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,2,0,0,0,0|0,0,1]=3 670 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,2,0,0,0,0|1,0,0]=3 671 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,2,0,0,0,0|0,0,1]=3 672 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,2,0,0,0,0|0,0,1]=3 673 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,2,0,0,0,0|0,0,2]=4 674 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [0,2,0,0,0,0|0,0,2]=4 675 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,2,0,0,0,0|0,0,2]=4 676 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,2,0,0,0,0|0,0,2]=4 677 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,2,0,0,0,0|0,0,2]=4 678 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,2,0,0,0,0|0,0,2]=4 679 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,2,0,0,0,0|0,0,2]=4 680 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,2,0,0,0,0|1,0,1]=4 681 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [0,2,0,0,0,0|2,0,0]=4 683 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,2,0,0,0,0|0,0,2]=4 684 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,2,0,0,0,0|1,0,0]=3 685 B9R0.1 C=CC(=C)CCCC(=C)C CNP0388953.0 [0,2,0,0,0,0|0,0,2]=4 686 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,2,0,0,0,0|0,0,2]=4 687 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,2,0,0,0,0|0,0,0]=2 688 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [0,2,0,0,0,0|0,0,2]=4 689 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [0,2,0,0,0,0|0,0,1]=3 690 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [0,2,0,0,0,0|0,0,2]=4 691 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,2,0,0,0,0|1,0,0]=3 692 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,2,0,0,0,0|1,0,1]=4 693 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,2,0,0,0,0|1,0,0]=3 694 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,2,0,0,0,0|1,0,1]=4 695 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,2,0,0,0,0|1,0,0]=3 696 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,2,0,0,0,0|0,0,2]=4 697 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,2,0,0,0,0|1,0,1]=4 698 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,2,0,0,0,0|0,0,2]=4 699 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [0,2,0,0,0,0|0,0,2]=4 700 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [0,2,0,0,0,0|0,0,2]=4 701 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,2,0,0,0,0|1,0,1]=4 702 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,2,0,0,0,0|0,0,2]=4 703 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,2,0,0,0,0|0,0,2]=4 704 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,2,0,0,0,0|0,0,2]=4 705 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,2,0,0,0,0|1,0,0]=3 706 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,2,0,0,0,0|1,0,0]=3 707 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,2,0,0,0,0|0,0,1]=3 708 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,2,0,0,0,0|1,0,0]=3 709 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,2,0,0,0,0|1,0,0]=3 710 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,2,0,0,0,0|1,0,0]=3 711 B9R0.47 CCCCC[C@H](O)C(Br)Br CNP0017667.1 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,2,0,0,0,0|0,0,2]=4 713 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,2,0,0,0,0|0,0,2]=4 714 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,2,0,0,0,0|2,0,0]=4 718 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,2,0,0,0,0|2,0,0]=4 720 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,2,0,0,0,0|2,0,0]=4 722 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,2,0,0,0,0|2,0,0]=4 724 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,2,0,0,0,0|2,0,0]=4 727 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.50 C=CC(CC)CC=CCC CNP0580048.0 [0,2,0,0,0,0|0,0,2]=4 730 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,2,0,0,0,0|0,0,0]=2 731 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [0,2,0,0,0,0|0,0,0]=2 732 B9R0.50 C=CCSSC(CC)CC CNP0604092.0 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.55 C=C(C)CCCC=C(C)C CNP0556185.0 [0,2,0,0,0,0|0,0,2]=4 734 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,2,0,0,0,0|1,0,1]=4 735 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,2,0,0,0,0|0,0,1]=3 736 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,2,0,0,0,0|1,0,0]=3 737 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,2,0,0,0,0|1,0,0]=3 738 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [0,2,0,0,0,0|0,0,2]=4 739 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,2,0,0,0,0|0,0,2]=4 740 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,2,0,0,0,0|2,0,0]=4 742 B7R1.1 C=CC1OCCO1 CNP0206238.0 [1,0,0,1,0,0|2,0,0]=4 743 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|0,0,1]=3 744 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|0,0,1]=3 745 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,1,0,0|2,0,0]=4 746 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [1,0,0,1,0,0|2,0,0]=4 747 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,0,0,1,0,0|2,0,0]=4 748 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,0,0,1,0,0|2,0,0]=4 749 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,0,0,1,0,0|2,0,0]=4 750 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,0,0,1,0,0|2,0,0]=4 751 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,0,0,1,0,0|2,0,0]=4 752 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,1,0,0|1,0,0]=3 753 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|0,0,0]=2 754 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,1,0,0|0,0,2]=4 755 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|0,0,1]=3 756 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|0,0,1]=3 757 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,0,0]=3 758 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,1,0,0|1,0,1]=4 759 B7R1.3 CC1CCOCO1 CNP0130543.0 [1,0,0,1,0,0|2,0,0]=4 760 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,1,0,0|1,0,1]=4 761 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|0,0,2]=4 762 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,1,0,0|1,0,0]=3 763 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [1,0,0,1,0,0|2,0,0]=4 764 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,1,0,0|1,0,0]=3 765 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,1,0,0|1,0,0]=3 766 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 767 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,0]=3 768 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|2,0,0]=4 769 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|2,0,0]=4 770 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|2,0,0]=4 771 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,1]=4 772 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|2,0,0]=4 773 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|1,0,0]=3 774 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|1,0,0]=3 775 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|1,0,0]=3 776 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [1,0,0,1,0,0|2,0,0]=4 777 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,1,0,0|0,0,2]=4 778 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|2,0,0]=4 779 B7R1.4 CC1OCCC1O CNP0002607.0 [1,0,0,1,0,0|2,0,0]=4 780 B7R1.4 CC1OCCC1S CNP0002942.0 [1,0,0,1,0,0|2,0,0]=4 781 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|2,0,0]=4 782 B7R1.4 CC1SCCC1O CNP0179885.0 [1,0,0,1,0,0|2,0,0]=4 783 B7R1.4 CC1SCCC1S CNP0002610.0 [1,0,0,1,0,0|2,0,0]=4 784 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|2,0,0]=4 785 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|1,0,0]=3 786 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|0,0,1]=3 787 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|0,0,1]=3 788 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|1,0,0]=3 789 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|2,0,0]=4 790 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|2,0,0]=4 791 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|1,0,0]=3 792 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|0,0,1]=3 793 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|2,0,0]=4 794 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|2,0,0]=4 795 B7R1.4 OC1CCCC1O CNP0519159.0 [1,0,0,1,0,0|2,0,0]=4 796 B7R1.4 SC1CCCC1S CNP0098071.0 [1,0,0,1,0,0|2,0,0]=4 797 B7R1.5 C=C1C[C@@H]1CC#N CNP0326254.1 [1,0,0,1,0,0|1,0,1]=4 798 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [1,0,0,1,0,0|1,0,1]=4 799 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|1,0,0]=3 800 B7R1.7 CCCCC1CO1 CNP0608682.0 [1,0,0,1,0,0|1,0,0]=3 801 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,1,0,0|1,0,0]=3 802 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,1,0,0|0,0,2]=4 803 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,1,0,0|0,0,1]=3 804 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,1,0,1,0,0|0,0,2]=4 805 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,1,0,1,0,0|1,0,1]=4 808 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,1,0,1,0,0|1,0,1]=4 809 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,1,0,1,0,0|1,0,1]=4 811 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,1,0,1,0,0|1,0,1]=4 812 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,1,0,0|0,0,1]=3 813 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,1,0,0|1,0,0]=3 814 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,1,0,1,0,0|0,0,2]=4 815 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.8 C=CCC1=NCCCC1 CNP0003401.0 [0,1,0,1,0,0|0,0,1]=3 818 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [0,1,0,1,0,0|0,0,0]=2 819 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [0,1,0,1,0,0|0,0,0]=2 820 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,1,0,1,0,0|0,0,1]=3 822 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,1,0,1,0,0|1,0,1]=4 823 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,1,0,1,0,0|0,0,2]=4 824 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,1,0,1,0,0|0,0,2]=4 825 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,1,0,1,0,0|0,0,2]=4 826 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,1,0,1,0,0|0,0,2]=4 827 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [0,1,0,1,0,0|0,0,2]=4 828 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,1,0,1,0,0|0,0,0]=2 832 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [0,1,0,1,0,0|1,0,1]=4 833 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [0,1,0,1,0,0|1,0,1]=4 834 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [0,1,0,1,0,0|1,0,1]=4 835 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [0,1,0,1,0,0|1,0,1]=4 836 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,1,0,1,0,0|0,0,2]=4 837 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,1,0,1,0,0|0,0,1]=3 838 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,1,0,1,0,0|1,0,1]=4 839 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,1,0,1,0,0|1,0,1]=4 840 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,1,0,1,0,0|0,0,2]=4 841 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [0,1,0,1,0,0|1,0,1]=4 842 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,1,0,1,0,0|0,0,2]=4 843 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [0,1,0,1,0,0|0,0,2]=4 844 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,1,0,1,0,0|0,0,2]=4 845 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [0,1,0,1,0,0|0,0,2]=4 846 B9R1.12 NCCCN1C=CCC1 CNP0592244.0 [0,1,0,1,0,0|1,0,0]=3 847 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|0,0,1]=3 848 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,1,0,1,0,0|0,0,2]=4 849 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,1,0,1,0,0|1,0,0]=3 850 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,1,0,1,0,0|1,0,0]=3 851 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.20 CCC1OC1C=CC=O CNP0007771.0 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [0,1,0,1,0,0|0,0,2]=4 854 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,1,0,1,0,0|2,0,0]=4 855 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,1,0,1,0,0|1,0,1]=4 858 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|0,0,1]=3 859 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,1,0,1,0,0|1,0,1]=4 861 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|0,0,0]=2 862 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,1,0,1,0,0|0,0,2]=4 863 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|0,0,1]=3 864 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,1,0,1,0,0|0,0,2]=4 865 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,1,0,1,0,0|0,0,2]=4 869 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|0,0,1]=3 871 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|1,0,0]=3 872 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,1,0,0|2,0,0]=4 873 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [0,1,0,1,0,0|0,0,2]=4 874 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [0,1,0,1,0,0|0,0,1]=3 875 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [0,1,0,1,0,0|0,0,1]=3 876 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [0,1,0,1,0,0|0,0,1]=3 877 B9R1.16 C=CCCCC1CC1=C CNP0302081.0 [0,1,0,1,0,0|0,0,1]=3 878 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,1,0,1,0,0|0,0,2]=4 879 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [0,1,0,1,0,0|0,0,2]=4 880 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [0,1,0,1,0,0|0,0,0]=2 881 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [0,1,0,1,0,0|0,0,2]=4 882 B9R1.103 C1CCCSSSCC1 CNP0537108.0 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,1,0,0|0,0,2]=4 884 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,1,0,1,0,0|0,0,2]=4 885 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,1,0,1,0,0|0,0,2]=4 886 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,1,0,1,0,0|0,0,2]=4 887 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,1,0,1,0,0|1,0,1]=4 888 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,1,0,1,0,0|1,0,0]=3 889 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,1,0,1,0,0|0,0,2]=4 890 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,1,0,1,0,0|0,0,2]=4 891 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.3 C[C@@H]1CCC[C@H](N1C)C CNP0376276.1 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|1,0,1]=4 894 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,1,0,1,0,0|0,0,2]=4 895 B9R1.11 CCC(C)C1=COCC1 CNP0578836.0 [0,1,0,1,0,0|1,0,1]=4 896 B9R1.11 CCC(C)C1C=COC1 CNP0612000.0 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,1,0,1,0,0|0,0,2]=4 898 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,1,0,0|1,0,1]=4 899 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,1,0,1,0,0|0,0,2]=4 900 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,1,0,1,0,0|0,0,2]=4 901 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [0,1,0,1,0,0|0,0,2]=4 902 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,1,0,0|1,0,1]=4 903 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [0,1,0,1,0,0|2,0,0]=4 904 B9R1.202 CCC1(CCSC1=O)C CNP0109603.0 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,1,0,1,0,0|0,0,2]=4 906 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,1,0,1,0,0|0,0,1]=3 907 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.6 CC(C)C1CC=CCC1 CNP0550039.0 [0,1,0,1,0,0|0,0,2]=4 909 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [0,1,0,1,0,0|0,0,2]=4 910 B9R1.6 ClP(Cl)C1CCCCC1 CNP0588827.0 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,1,0,1,0,0|1,0,0]=3 915 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,1,0,1,0,0|1,0,0]=3 916 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,1,0,1,0,0|1,0,1]=4 923 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,1,0,1,0,0|1,0,1]=4 924 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,1,0,1,0,0|1,0,1]=4 925 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,1,0,1,0,0|0,0,2]=4 926 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,1,0,1,0,0|1,0,1]=4 927 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,1,0,1,0,0|1,0,0]=3 928 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,1,0,1,0,0|1,0,1]=4 930 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,1,0,1,0,0|1,0,1]=4 932 B9R1.24 CC=C1CCCC1(C)C CNP0330469.0 [0,1,0,1,0,0|0,0,2]=4 933 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [0,1,0,1,0,0|0,0,2]=4 934 B9R1.40 C[C@]1(CCCC[C@@H]1O)Cl CNP0062088.1 [0,1,0,1,0,0|1,0,1]=4 935 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [0,1,0,1,0,0|1,0,1]=4 936 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,1,0,1,0,0|1,0,0]=3 938 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,1,0,1,0,0|1,0,0]=3 941 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,1,0,1,0,0|1,0,0]=3 942 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,1,0,1,0,0|1,0,0]=3 945 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,1,0,1,0,0|0,0,2]=4 946 B9R2.24 OC1C2C=CC1CC2 CNP0612200.0 [0,0,0,2,0,0|1,0,0]=3 947 B9R2.49 C1=CC2CCC1CC2 CNP0168880.0 [0,0,0,2,0,0|0,0,0]=2 948 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,2,0,0|1,0,1]=4 949 B9R2.49 C1C[C@H]2CC[C@@H]1N=N2 CNP0063584.1 [0,0,0,2,0,0|2,0,0]=4 950 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,2,0,0|0,0,2]=4 951 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,2,0,0|0,0,0]=2 952 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,0,0,2,0,0|0,0,2]=4 953 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,2,0,0|1,0,0]=3 954 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|1,0,0]=3 955 B9R2.39 OC1CC2C=CC1C2 CNP0506410.0 [0,0,0,2,0,0|1,0,0]=3 956 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|2,0,0]=4 957 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|2,0,0]=4 958 B9R2.3 C1CC2CCCC2C1 CNP0085894.0 [0,0,0,2,0,0|0,0,2]=4 959 B9R2.3 C1CC2CCCN2C1 CNP0077173.0 [0,0,0,2,0,0|1,0,1]=4 960 B9R2.79 CC[C@H]1C[C@H]1C2CC2 CNP0335376.1 [0,0,0,2,0,0|0,0,2]=4