0 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.3 C#CCCCCCCCCCO CNP0539400.0 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.3 C=CC#CCCCCCCCC CNP0570139.0 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [0,0,0,0,0,0|0,0,4]=4 5 B11R0.3 C=CCCCCCCCCC=C CNP0256056.0 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [0,0,0,0,0,0|2,0,0]=2 10 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [0,0,0,0,0,0|1,0,3]=4 11 B11R0.3 CC=CCCCCCCC=CC CNP0508194.0 [0,0,0,0,0,0|1,0,3]=4 12 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [0,0,0,0,0,0|0,0,2]=2 13 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [0,0,0,0,0,0|1,0,1]=2 14 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [0,0,0,0,0,0|1,0,3]=4 16 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [0,0,0,0,0,0|0,0,4]=4 17 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [0,0,0,0,0,0|0,0,4]=4 18 B11R0.3 CCCCCC=CCCCCC CNP0563337.0 [0,0,0,0,0,0|1,0,3]=4 19 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [0,0,0,0,0,0|0,0,4]=4 20 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [0,0,0,0,0,0|0,0,2]=2 21 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [0,0,0,0,0,0|0,0,2]=2 22 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [0,0,0,0,0,0|0,0,4]=4 23 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [0,0,0,0,0,0|1,0,1]=2 24 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [0,0,0,0,0,0|0,0,0]=0 25 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [0,0,0,0,0,0|1,0,1]=2 26 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [0,0,0,0,0,0|0,0,2]=2 27 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [0,0,0,0,0,0|2,0,0]=2 28 B11R0.3 CCCCCCCCCCON CNP0565549.0 [0,0,0,0,0,0|2,0,0]=2 29 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [0,0,0,0,0,0|1,0,2]=3 30 B11R0.3 CCCCCSSCCCCC CNP0314925.0 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.3 CCCCOCCOCCCC CNP0542178.0 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.3 CSCCCCCCCCC#N CNP0286392.0 [0,0,0,0,0,0|2,0,1]=3 34 B11R0.3 CSCCCCCCCN=C=S CNP0199024.0 [0,0,0,0,0,0|2,1,1]=4 35 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [0,0,0,0,0,0|1,0,1]=2 36 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.3 OCCCCCCCCNCO CNP0481493.0 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [0,0,0,0,0,0|1,0,1]=2 39 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [1,0,0,0,0,0|0,0,2]=3 40 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,0,0,0,0,0|0,0,3]=4 41 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,0,0,0,0,0|0,0,3]=4 42 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [1,0,0,0,0,0|0,0,3]=4 43 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [1,0,0,0,0,0|0,0,2]=3 44 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,0,0,0,0|0,0,1]=2 45 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [1,0,0,0,0,0|0,0,3]=4 48 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,0,0,0,0,0|0,0,3]=4 49 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,0,0,0,0,0|0,0,3]=4 50 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [1,0,0,0,0,0|0,0,3]=4 51 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [1,0,0,0,0,0|0,0,2]=3 52 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,0,0,0,0,0|0,0,3]=4 53 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [1,0,0,0,0,0|0,0,2]=3 54 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [1,0,0,0,0,0|0,0,3]=4 55 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [1,0,0,0,0,0|0,0,3]=4 56 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,0,0,0,0,0|0,0,2]=3 57 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,0,0,0,0,0|0,0,3]=4 58 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,0,0,0,0,0|0,0,3]=4 59 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [1,0,0,0,0,0|0,0,3]=4 60 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,0,0,0,0,0|0,0,2]=3 61 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,0,0,0,0,0|0,0,3]=4 62 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,0,0,0,0,0|1,0,2]=4 63 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,0,0,0,0|0,0,0]=1 64 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,0,0,0,0,0|0,0,1]=2 65 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,0,0,0,0,0|1,0,0]=2 66 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,0,0,0,0,0|1,0,0]=2 67 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,0,0,0,0,0|0,0,1]=2 68 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,0,0,0,0,0|0,1,0]=2 69 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,0,0,0,0,0|0,0,1]=2 70 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,0,0,0,0,0|1,0,0]=2 72 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,0,0,0,0,0|1,0,1]=3 73 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,0,0,0,0,0|1,0,1]=3 74 B10R0.71 CCCCOCCOCCO CNP0079968.0 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.71 CSCCCCCCCC#N CNP0327429.0 [1,0,0,0,0,0|2,0,1]=4 76 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,0,0,0,0,0|2,0,0]=3 77 B10R0.71 NCCCCCNCCCN CNP0335308.0 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.71 NCCCCNCCCCN CNP0224806.0 [1,0,0,0,0,0|3,0,0]=4 79 B10R0.71 OCCCCCCCCCO CNP0496013.0 [1,0,0,0,0,0|1,0,1]=3 80 B10R0.71 SCCCCCCCCCS CNP0323084.0 [1,0,0,0,0,0|1,1,0]=3 81 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,0,0,0,0,0|1,0,0]=2 82 B12R0.1 C#CCC(O)CCCCCCCC CNP0483008.0 [0,1,0,0,0,0|1,0,1]=3 83 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,1,0,0,0,0|1,0,2]=4 84 B12R0.1 CCCCCCCCC(C)OC=O CNP0539343.0 [0,1,0,0,0,0|1,0,0]=2 85 B12R0.1 CCCCCCCC[C@H](C)CCC CNP0076722.1 [0,1,0,0,0,0|1,0,1]=3 86 B12R0.1 CCCCCCCC[S@@+]([O-])CCO CNP0546559.1 [0,1,0,0,0,0|1,0,2]=4 87 B12R0.5 C#CC=CCCCCCCCCC CNP0168870.0 [0,1,0,0,0,0|1,0,1]=3 88 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [0,1,0,0,0,0|1,0,1]=3 89 B12R0.5 C=CC=CCCCCCCCCO CNP0306719.0 [0,1,0,0,0,0|1,0,2]=4 90 B12R0.5 C=CCCC=CCCCCCCC CNP0172346.0 [0,1,0,0,0,0|1,0,1]=3 91 B12R0.5 C=CCCCC=CCCCCCC CNP0076850.0 [0,1,0,0,0,0|1,0,1]=3 92 B12R0.5 C=CCCCCCCCCC=CC CNP0054973.0 [0,1,0,0,0,0|1,0,1]=3 93 B12R0.5 C=CCCCCCCCCCC=C CNP0610541.0 [0,1,0,0,0,0|1,0,1]=3 94 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [0,1,0,0,0,0|1,0,0]=2 95 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [0,1,0,0,0,0|1,0,0]=2 96 B12R0.5 CC#CCCCCCCCCCO CNP0563211.0 [0,1,0,0,0,0|0,0,3]=4 97 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [0,1,0,0,0,0|1,0,0]=2 98 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [0,1,0,0,0,0|1,0,1]=3 99 B12R0.5 CCC=CCCCCCCCC=O CNP0222286.0 [0,1,0,0,0,0|0,0,1]=2 100 B12R0.5 CCC=CCCCCCCCCC CNP0534908.0 [0,1,0,0,0,0|1,0,1]=3 101 B12R0.5 CCC=CCCCCCCCCO CNP0133783.0 [0,1,0,0,0,0|0,0,3]=4 102 B12R0.5 CCCC=CCCCCCCCO CNP0274278.0 [0,1,0,0,0,0|0,0,3]=4 103 B12R0.5 CCCCC=CC=CCCCC=O CNP0280638.0 [0,1,0,0,0,0|0,0,3]=4 104 B12R0.5 CCCCC=CCCCCCC=O CNP0318145.0 [0,1,0,0,0,0|0,0,1]=2 105 B12R0.5 CCCCC=CCCCCCCC CNP0586294.0 [0,1,0,0,0,0|1,0,2]=4 106 B12R0.5 CCCCC=CCCCCCCO CNP0260521.0 [0,1,0,0,0,0|0,0,3]=4 107 B12R0.5 CCCCCC#CCCCCCC CNP0154721.0 [0,1,0,0,0,0|1,0,2]=4 108 B12R0.5 CCCCCC=CCCC=CC=O CNP0168017.0 [0,1,0,0,0,0|0,0,3]=4 109 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [0,1,0,0,0,0|0,0,1]=2 110 B12R0.5 CCCCCC=CCCCCCC CNP0240715.0 [0,1,0,0,0,0|1,0,2]=4 111 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [0,1,0,0,0,0|0,0,1]=2 112 B12R0.5 CCCCCCCC=CC=CC=O CNP0081684.0 [0,1,0,0,0,0|0,0,3]=4 113 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [0,1,0,0,0,0|0,0,3]=4 114 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [0,1,0,0,0,0|0,0,1]=2 115 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [0,1,0,0,0,0|0,0,2]=3 116 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [0,1,0,0,0,0|0,0,1]=2 117 B12R0.5 CCCCCCCCCCCC#N CNP0071944.0 [0,1,0,0,0,0|1,0,1]=3 118 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [0,1,0,0,0,0|0,0,0]=1 119 B12R0.5 CCCCCCCCCCCCC CNP0251262.0 [0,1,0,0,0,0|1,0,1]=3 120 B12R0.5 CCCCCCCCCCCCO CNP0281602.0 [0,1,0,0,0,0|0,0,2]=3 121 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [0,1,0,0,0,0|0,0,0]=1 122 B12R0.5 CCCCCCCCCCOCO CNP0587051.0 [0,1,0,0,0,0|0,0,2]=3 123 B12R0.5 CCCCCCCCCOCCC CNP0508454.0 [0,1,0,0,0,0|1,0,1]=3 124 B12R0.5 CCCCCCNCCCCCC CNP0462839.0 [0,1,0,0,0,0|1,0,1]=3 125 B12R0.5 CCCCCCOCCCCCC CNP0492138.0 [0,1,0,0,0,0|1,0,1]=3 126 B12R0.5 CSCCCCCCCCC=NO CNP0085412.0 [0,1,0,0,0,0|1,0,1]=3 127 B12R0.5 CSCCCCCCCCN=C=S CNP0259442.0 [0,1,0,0,0,0|1,1,1]=4 128 B12R0.5 OCCCCCCCCCCCO CNP0368503.0 [0,1,0,0,0,0|0,0,2]=3 129 B12R0.47 CCCCCC(=O)CCCCC#N CNP0136288.0 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [0,1,0,0,0,0|2,0,1]=4 131 B12R0.206 CCCCCCCC(=O)CCCC CNP0528685.0 [0,1,0,0,0,0|1,0,2]=4 132 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,1,0,0,0,0|0,0,2]=3 133 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,1,0,0,0,0|0,0,2]=3 134 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [0,1,0,0,0,0|0,0,2]=3 135 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [0,1,0,0,0,0|0,0,2]=3 136 B12R0.234 C=CCCCCCCCOC(=O)C CNP0204354.0 [0,1,0,0,0,0|1,0,2]=4 137 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,1,0,0,0,0|0,0,2]=3 138 B12R0.234 CC(=O)NCCCCNCCCN CNP0348437.0 [0,1,0,0,0,0|3,0,0]=4 139 B12R0.234 CC(=O)NCCCNCCCCN CNP0155123.0 [0,1,0,0,0,0|3,0,0]=4 140 B12R0.234 CCC=CCCCCCOC(=O)C CNP0503657.0 [0,1,0,0,0,0|1,0,2]=4 141 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,1,0,0,0,0|0,0,2]=3 142 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,1,0,0,0,0|0,0,2]=3 143 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,1,0,0,0,0|0,0,0]=1 144 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,1,0,0,0,0|0,0,0]=1 145 B12R0.234 CCCCCCCCCCC(C)C CNP0258052.0 [0,1,0,0,0,0|1,0,1]=3 146 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [0,1,0,0,0,0|0,0,2]=3 147 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [0,1,0,0,0,0|0,0,2]=3 148 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,1,0,0,0,0|1,0,0]=2 149 B12R0.234 COSCCCCCCNC(=O)N CNP0309381.0 [0,1,0,0,0,0|3,0,0]=4 150 B12R0.234 C[S@+]([O-])CCCCCCCCC#N CNP0508187.1 [0,1,0,0,0,0|2,0,1]=4 151 B12R0.234 C[S@H+]([O-])CCCCCCCCC#N CNP0499553.1 [0,1,0,0,0,0|2,0,1]=4 152 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,1,0,0,0,0|1,0,2]=4 153 B12R0.234 O=C(O)CCCCCCC=CCO CNP0316414.0 [0,1,0,0,0,0|1,0,2]=4 154 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,1,0,0,0,0|1,0,0]=2 155 B12R0.248 C#CCCCCCCC[C@@H](C)OC CNP0247921.1 [0,1,0,0,0,0|2,0,1]=4 156 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,1,0,0,0,0|1,0,1]=3 157 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,1,0,0,0,0|2,0,1]=4 158 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,1,0,0,0,0|2,0,1]=4 159 B12R0.248 C=CCCCCCCCC(C)C=O CNP0082078.0 [0,1,0,0,0,0|0,0,2]=3 160 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [0,1,0,0,0,0|1,0,2]=4 161 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,1,0,0,0,0|1,0,2]=4 162 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,1,0,0,0,0|2,0,1]=4 163 B12R0.248 CCCCCCCCCC(C)CC CNP0349662.0 [0,1,0,0,0,0|1,0,1]=3 164 B12R0.248 CCCCCCCCC[C@@H](C)C=O CNP0086491.2 [0,1,0,0,0,0|0,0,0]=1 165 B12R0.248 CCCCCCCCC[C@@H](C)CI CNP0083067.1 [0,1,0,0,0,0|1,0,1]=3 166 B12R0.248 CCCCCCCCC[C@H](C)C=O CNP0086491.1 [0,1,0,0,0,0|0,0,0]=1 167 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,1,0,0,0,0|1,0,1]=3 168 B12R1.8 CCCCC=CC1C=CCCC1 CNP0585134.0 [0,0,0,1,0,0|1,0,2]=4 169 B12R1.8 CCCCCCC1=CCCCC1 CNP0080554.0 [0,0,0,1,0,0|1,0,2]=4 170 B12R1.8 CCCCCCC1CCCCC1 CNP0080553.0 [0,0,0,1,0,0|1,0,1]=3 171 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,0,0,1,0,0|1,0,2]=4 172 B12R1.267 CCCCCC1CCCOC1=O CNP0206110.0 [0,0,0,1,0,0|1,0,0]=2 173 B12R1.267 O=C1CCCCN1CCCCBr CNP0215527.0 [0,0,0,1,0,0|2,0,0]=3 174 B12R1.320 CCCC[C@@H]1CCC[C@H]1CCC CNP0236977.1 [0,0,0,1,0,0|1,0,1]=3 175 B12R1.372 CCC=CCCC1CCCC1=O CNP0076899.0 [0,0,0,1,0,0|0,0,2]=3 176 B12R1.375 CCCCCCCCCC1CC1 CNP0146839.0 [0,0,0,1,0,0|1,0,1]=3 177 B12R1.399 CCC1CCCCCCC1CC CNP0086297.0 [0,0,0,1,0,0|1,0,1]=3 178 B12R1.454 CCCCCCC[C@@H]1O[C@@H]1CC CNP0425218.1 [0,0,0,1,0,0|2,0,1]=4 179 B12R1.550 C1=CCCCCCCCCCC1 CNP0182865.0 [0,0,0,1,0,0|1,0,0]=2 180 B12R1.550 C1CCCCCCCCCCC1 CNP0102351.0 [0,0,0,1,0,0|1,0,1]=3 181 B12R1.1410 CCCCC[C@H]1O[C@@H]1/C=C/C=O CNP0381655.1 [0,0,0,1,0,0|1,0,2]=4 182 B9R0.45 C#CCCCCCCCC CNP0272182.0 [2,0,0,0,0,0|0,0,2]=4 183 B9R0.45 C=CCCCCCCCC CNP0330037.0 [2,0,0,0,0,0|0,0,1]=3 184 B9R0.45 C=CCCCCCCCO CNP0326407.0 [2,0,0,0,0,0|1,0,1]=4 185 B9R0.45 CC#CCCCCCCC CNP0076890.0 [2,0,0,0,0,0|0,0,2]=4 186 B9R0.45 CCC#CCCCCCC CNP0606734.0 [2,0,0,0,0,0|0,0,2]=4 187 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [2,0,0,0,0,0|0,0,2]=4 188 B9R0.45 CCC=CCCCCCC CNP0223572.0 [2,0,0,0,0,0|0,0,2]=4 189 B9R0.45 CCCC#CCCCCC CNP0576219.0 [2,0,0,0,0,0|0,0,2]=4 190 B9R0.45 CCCC=CCCCCC CNP0076954.0 [2,0,0,0,0,0|0,0,2]=4 191 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [2,0,0,0,0,0|0,0,2]=4 192 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [2,0,0,0,0,0|0,0,2]=4 193 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [2,0,0,0,0,0|0,0,2]=4 194 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [2,0,0,0,0,0|0,0,2]=4 195 B9R0.45 CCCCCCCC=CO CNP0085832.0 [2,0,0,0,0,0|0,0,2]=4 196 B9R0.45 CCCCCCCCC#N CNP0309769.0 [2,0,0,0,0,0|1,0,1]=4 197 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|0,0,0]=2 198 B9R0.45 CCCCCCCCCC CNP0279708.0 [2,0,0,0,0,0|0,0,0]=2 199 B9R0.45 CCCCCCCCCI CNP0565198.0 [2,0,0,0,0,0|1,0,0]=3 200 B9R0.45 CCCCCCCCCO CNP0307663.0 [2,0,0,0,0,0|0,0,1]=3 201 B9R0.45 CCCCCCCCOC CNP0305574.0 [2,0,0,0,0,0|1,0,0]=3 202 B9R0.45 CCCCCCCNC=O CNP0503918.0 [2,0,0,0,0,0|1,0,0]=3 203 B9R0.45 CCCCCCCOC=O CNP0272781.0 [2,0,0,0,0,0|1,0,0]=3 204 B9R0.45 CCCCCCCOCC CNP0144632.0 [2,0,0,0,0,0|1,0,0]=3 205 B9R0.45 CCCCCCOCCC CNP0488672.0 [2,0,0,0,0,0|1,0,0]=3 206 B9R0.45 CCCCCOCCCC CNP0134382.0 [2,0,0,0,0,0|1,0,0]=3 207 B9R0.45 CCCCOCCCCO CNP0571704.0 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.45 NCCCCCCCCN CNP0462737.0 [2,0,0,0,0,0|2,0,0]=4 209 B9R0.45 NCCCNCCCC=O CNP0100864.0 [2,0,0,0,0,0|2,0,0]=4 210 B9R0.45 OCCCCCCCCO CNP0076363.0 [2,0,0,0,0,0|1,0,1]=4 211 B9R0.45 SCCCCCCCCS CNP0058300.0 [2,0,0,0,0,0|1,1,0]=4 212 B11R0.4 C=CCCCCCC(C)CCC CNP0085749.0 [1,1,0,0,0,0|0,0,1]=3 213 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [1,1,0,0,0,0|1,0,1]=4 214 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [1,1,0,0,0,0|0,0,2]=4 215 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [1,1,0,0,0,0|0,0,1]=3 216 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [1,1,0,0,0,0|0,0,1]=3 217 B11R0.40 C/C=C/CCCCC[C@H](C)CC CNP0099624.1 [1,1,0,0,0,0|1,0,1]=4 218 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [1,1,0,0,0,0|0,0,2]=4 219 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [1,1,0,0,0,0|0,0,2]=4 220 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [1,1,0,0,0,0|0,0,1]=3 221 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [1,1,0,0,0,0|0,0,2]=4 222 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [1,1,0,0,0,0|0,0,1]=3 223 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [1,1,0,0,0,0|0,0,1]=3 224 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [1,1,0,0,0,0|0,0,1]=3 225 B11R0.81 C=CCCCCC(C)CCCC CNP0518967.0 [1,1,0,0,0,0|0,0,1]=3 226 B11R0.81 CC=CCC(C)CCCCCC CNP0482426.0 [1,1,0,0,0,0|1,0,1]=4 227 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [1,1,0,0,0,0|0,0,1]=3 228 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [1,1,0,0,0,0|0,0,1]=3 229 B11R0.140 CCCCCC(=O)CCCCC CNP0003552.0 [1,1,0,0,0,0|0,0,2]=4 230 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [1,1,0,0,0,0|0,0,1]=3 231 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [1,1,0,0,0,0|0,0,2]=4 232 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [1,1,0,0,0,0|0,0,2]=4 233 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [1,1,0,0,0,0|0,0,2]=4 234 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [1,1,0,0,0,0|0,0,2]=4 235 B11R0.148 C=CCCCCCCCC(C)C CNP0591063.0 [1,1,0,0,0,0|0,0,1]=3 236 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [1,1,0,0,0,0|0,0,1]=3 237 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [1,1,0,0,0,0|0,0,2]=4 238 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [1,1,0,0,0,0|0,0,2]=4 239 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [1,1,0,0,0,0|0,0,2]=4 240 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [1,1,0,0,0,0|0,0,2]=4 241 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [1,1,0,0,0,0|0,0,2]=4 242 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [1,1,0,0,0,0|0,0,2]=4 243 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [1,1,0,0,0,0|0,0,2]=4 244 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [1,1,0,0,0,0|0,0,2]=4 245 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [1,1,0,0,0,0|0,0,2]=4 246 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [1,1,0,0,0,0|0,0,2]=4 247 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [1,1,0,0,0,0|0,0,2]=4 248 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [1,1,0,0,0,0|1,0,1]=4 249 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [1,1,0,0,0,0|0,0,0]=2 250 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [1,1,0,0,0,0|0,0,0]=2 251 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [1,1,0,0,0,0|0,0,0]=2 252 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [1,1,0,0,0,0|0,0,0]=2 253 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [1,1,0,0,0,0|0,0,0]=2 254 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [1,1,0,0,0,0|0,0,0]=2 255 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [1,1,0,0,0,0|0,0,0]=2 256 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [1,1,0,0,0,0|0,0,0]=2 257 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [1,1,0,0,0,0|0,0,0]=2 258 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [1,1,0,0,0,0|0,0,0]=2 259 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [1,1,0,0,0,0|0,0,1]=3 260 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [1,1,0,0,0,0|0,0,1]=3 261 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [1,1,0,0,0,0|0,0,1]=3 262 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [1,1,0,0,0,0|1,0,0]=3 263 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [1,1,0,0,0,0|1,0,0]=3 264 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [1,1,0,0,0,0|1,0,0]=3 265 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [1,1,0,0,0,0|2,0,0]=4 266 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [1,1,0,0,0,0|1,0,0]=3 267 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [1,1,0,0,0,0|2,0,0]=4 268 B11R0.148 C[S+]([O-])CCCCCCCCN CNP0583267.0 [1,1,0,0,0,0|2,0,0]=4 269 B11R0.148 C[S@+]([O-])CCCCCCCC=N CNP0478957.1 [1,1,0,0,0,0|2,0,0]=4 270 B11R0.148 C[S@H+]([O-])CCCCCCCC=N CNP0504595.1 [1,1,0,0,0,0|2,0,0]=4 271 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [1,1,0,0,0,0|1,0,0]=3 272 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [1,1,0,0,0,0|1,0,1]=4 273 B13R0.2 C=CCCCCCCCC(=O)OCC CNP0561434.0 [0,2,0,0,0,0|1,0,1]=4 274 B13R0.2 C=COC(=O)CCCCCCCCC CNP0137792.0 [0,2,0,0,0,0|1,0,1]=4 275 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [0,2,0,0,0,0|0,0,0]=2 276 B13R0.2 CCCCCCCCCC(=O)CCC CNP0343183.0 [0,2,0,0,0,0|1,0,1]=4 277 B13R0.2 CCCCCCCCCC(C)CCC CNP0097879.0 [0,2,0,0,0,0|1,0,1]=4 278 B13R0.2 CCCCCCOCCC(C)CCC CNP0085746.0 [0,2,0,0,0,0|1,0,1]=4 279 B13R0.2 CCOC(=O)CCCCCCCC=O CNP0276438.0 [0,2,0,0,0,0|0,0,1]=3 280 B13R0.66 C=CCOC(=O)CCCCCCCC CNP0131773.0 [0,2,0,0,0,0|1,0,1]=4 281 B13R0.330 CCCCCC[C@@H](C)C[C@@H](C)CCC CNP0248871.1 [0,2,0,0,0,0|1,0,1]=4 282 B13R0.330 CCCCCC[C@H](C)C[C@H](C)CCC CNP0248871.2 [0,2,0,0,0,0|1,0,1]=4 283 B13R0.335 CCCCCCCC[C@H](C)CC(C)C CNP0331374.1 [0,2,0,0,0,0|1,0,1]=4 284 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [0,2,0,0,0,0|0,0,0]=2 285 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [0,2,0,0,0,0|1,0,0]=3 286 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [0,2,0,0,0,0|1,0,0]=3 287 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [0,2,0,0,0,0|1,0,0]=3 288 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [0,2,0,0,0,0|0,0,1]=3 289 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,2,0,0,0,0|0,0,1]=3 290 B13R0.54 C=CCCCCCCCCC[N+](=O)[O-] CNP0523430.0 [0,2,0,0,0,0|1,0,1]=4 291 B13R0.54 C=CCCCCCCCCOC(=O)C CNP0555861.0 [0,2,0,0,0,0|0,0,2]=4 292 B13R0.54 CC(=O)OCCCCCCCCC=O CNP0547492.0 [0,2,0,0,0,0|0,0,1]=3 293 B13R0.54 CC(C)CCCCCCCCCCO CNP0498996.0 [0,2,0,0,0,0|0,0,2]=4 294 B13R0.54 CC/C=C/CCCCCCC[C@H](C)O CNP0191015.1 [0,2,0,0,0,0|1,0,1]=4 295 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,2,0,0,0,0|0,0,1]=3 296 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,2,0,0,0,0|0,0,1]=3 297 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,2,0,0,0,0|0,0,1]=3 298 B13R0.54 CCCCC=CCCCCOC(=O)C CNP0154646.0 [0,2,0,0,0,0|0,0,2]=4 299 B13R0.54 CCCCCC=CCCCCC(=O)C CNP0213133.0 [0,2,0,0,0,0|0,0,1]=3 300 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,2,0,0,0,0|0,0,1]=3 301 B13R0.54 CCCCCC=CCCCOC(=O)C CNP0003295.0 [0,2,0,0,0,0|0,0,2]=4 302 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,2,0,0,0,0|0,0,1]=3 303 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,2,0,0,0,0|0,0,1]=3 304 B13R0.54 CCCCCCCC=CCOC(=O)C CNP0123694.0 [0,2,0,0,0,0|0,0,2]=4 305 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,2,0,0,0,0|0,0,1]=3 306 B13R0.54 CCCCCCCCC=COC(=O)C CNP0501330.0 [0,2,0,0,0,0|0,0,2]=4 307 B13R0.54 CCCCCCCCC=NNC(=O)N CNP0224908.0 [0,2,0,0,0,0|1,0,1]=4 308 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,2,0,0,0,0|0,0,1]=3 309 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,2,0,0,0,0|0,0,1]=3 310 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [0,2,0,0,0,0|0,0,0]=2 311 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [0,2,0,0,0,0|0,0,0]=2 312 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,2,0,0,0,0|0,0,0]=2 313 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [0,2,0,0,0,0|0,0,0]=2 314 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [0,2,0,0,0,0|0,0,0]=2 315 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [0,2,0,0,0,0|0,0,0]=2 316 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [0,2,0,0,0,0|0,0,0]=2 317 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [0,2,0,0,0,0|0,0,0]=2 318 B13R0.54 CCCCCCCCCCCC(C)C CNP0149200.0 [0,2,0,0,0,0|1,0,1]=4 319 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [0,2,0,0,0,0|0,0,2]=4 320 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [0,2,0,0,0,0|0,0,2]=4 321 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [0,2,0,0,0,0|0,0,0]=2 322 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [0,2,0,0,0,0|0,0,0]=2 323 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,2,0,0,0,0|0,0,0]=2 324 B13R0.54 CCCCOCCOCCOC(=O)C CNP0603936.0 [0,2,0,0,0,0|2,0,0]=4 325 B13R0.54 O=C(O)CCCCCCCC=CCO CNP0273167.0 [0,2,0,0,0,0|0,0,2]=4 326 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,2,0,0,0,0|0,0,0]=2 327 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,2,0,0,0,0|0,0,0]=2 328 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,2,0,0,0,0|0,0,1]=3 329 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [0,2,0,0,0,0|1,0,0]=3 330 B13R0.147 C#CCCCCCCCCC(=O)OC CNP0522205.0 [0,2,0,0,0,0|0,0,2]=4 331 B13R0.147 C=CCCCCCCCCC(=O)NO CNP0361306.0 [0,2,0,0,0,0|0,0,2]=4 332 B13R0.147 C=CCCCCCCCCC(=O)OC CNP0148219.0 [0,2,0,0,0,0|0,0,2]=4 333 B13R0.147 CC=CCCCCCCCC(=O)OC CNP0092960.0 [0,2,0,0,0,0|0,0,2]=4 334 B13R0.147 CCCCCCCC=CCC(=O)CC CNP0527148.0 [0,2,0,0,0,0|0,0,2]=4 335 B13R0.147 CCCCCCCCC#CC(=O)OC CNP0140131.0 [0,2,0,0,0,0|0,0,2]=4 336 B13R0.147 CCCCCCCCC=CC(=O)OC CNP0122148.0 [0,2,0,0,0,0|0,0,2]=4 337 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [0,2,0,0,0,0|0,0,1]=3 338 B13R0.147 CCCCCCCCCC=C(Cl)CO CNP0255372.0 [0,2,0,0,0,0|0,0,2]=4 339 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [0,2,0,0,0,0|0,0,0]=2 340 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,2,0,0,0,0|0,0,0]=2 341 B13R0.147 CCCCCCCCCC[C@@H](C)CC CNP0232099.1 [0,2,0,0,0,0|1,0,1]=4 342 B13R0.147 CCCCCCCCCOC(=O)CC CNP0113142.0 [0,2,0,0,0,0|1,0,0]=3 343 B13R0.147 CCCCCCOCCCC(C)CC CNP0611371.0 [0,2,0,0,0,0|1,0,1]=4 344 B13R0.147 CC[C@@H](C)CCCCCCCCCO CNP0238947.2 [0,2,0,0,0,0|0,0,2]=4 345 B13R0.147 CC[C@H](C)CCCCCCCCCO CNP0238947.1 [0,2,0,0,0,0|0,0,2]=4 346 B13R0.147 CSCCCCCCCCC(=NO)S CNP0083848.0 [0,2,0,0,0,0|1,0,1]=4 347 B13R0.147 CSCCCCCCCCC(=S)NO CNP0512497.0 [0,2,0,0,0,0|1,0,1]=4 348 B13R0.165 C=CCCCC[C@H](C)CCCCCC CNP0424627.1 [0,2,0,0,0,0|1,0,0]=3 349 B13R0.165 CCCCCCC(=O)CCCCCC CNP0508946.0 [0,2,0,0,0,0|1,0,1]=4 350 B13R0.165 CCCCCCC(O)CCCCCC CNP0082295.0 [0,2,0,0,0,0|1,0,1]=4 351 B13R0.336 C#CCCCCCCCCCCCC CNP0579427.0 [0,2,0,0,0,0|1,0,1]=4 352 B13R0.336 C=CCCCCCCC=CCCCC CNP0527141.0 [0,2,0,0,0,0|1,0,0]=3 353 B13R0.336 C=CCCCCCCCCCCC=C CNP0252871.0 [0,2,0,0,0,0|1,0,0]=3 354 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [0,2,0,0,0,0|1,0,0]=3 355 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [0,2,0,0,0,0|1,0,0]=3 356 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [0,2,0,0,0,0|1,0,0]=3 357 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [0,2,0,0,0,0|1,0,0]=3 358 B13R0.336 CCC=CCCCCCCCCCC CNP0003426.0 [0,2,0,0,0,0|1,0,0]=3 359 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [0,2,0,0,0,0|0,0,2]=4 360 B13R0.336 CCCC=CCCCCCCCCC CNP0541639.0 [0,2,0,0,0,0|1,0,1]=4 361 B13R0.336 CCCCC=CCCCCCCCC CNP0076420.0 [0,2,0,0,0,0|1,0,1]=4 362 B13R0.336 CCCCC=CCCCCCCCO CNP0171301.0 [0,2,0,0,0,0|0,0,2]=4 363 B13R0.336 CCCCCC#CCCCCCCC CNP0610552.0 [0,2,0,0,0,0|1,0,1]=4 364 B13R0.336 CCCCCCC#CCCCCCC CNP0076786.0 [0,2,0,0,0,0|1,0,1]=4 365 B13R0.336 CCCCCCC=CCCCCCC CNP0084834.0 [0,2,0,0,0,0|1,0,1]=4 366 B13R0.336 CCCCCCCCC=CC=CC=O CNP0133214.0 [0,2,0,0,0,0|0,0,2]=4 367 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [0,2,0,0,0,0|0,0,0]=2 368 B13R0.336 CCCCCCCCC=CCCCO CNP0351626.0 [0,2,0,0,0,0|0,0,2]=4 369 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [0,2,0,0,0,0|0,0,0]=2 370 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [0,2,0,0,0,0|0,0,1]=3 371 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [0,2,0,0,0,0|0,0,1]=3 372 B13R0.336 CCCCCCCCCCCC=NO CNP0018714.0 [0,2,0,0,0,0|0,0,1]=3 373 B13R0.336 CCCCCCCCCCCCC#N CNP0226803.0 [0,2,0,0,0,0|1,0,1]=4 374 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [0,2,0,0,0,0|0,0,0]=2 375 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [0,2,0,0,0,0|1,0,1]=4 376 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [0,2,0,0,0,0|1,0,1]=4 377 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [0,2,0,0,0,0|1,0,1]=4 378 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [0,2,0,0,0,0|0,0,2]=4 379 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [0,2,0,0,0,0|0,0,0]=2 380 B13R0.336 N#CCCCCCCCCCCC#N CNP0168881.0 [0,2,0,0,0,0|1,0,1]=4 381 B13R0.336 O=CCCNCCCCNCCC=O CNP0281046.0 [0,2,0,0,0,0|1,0,1]=4 382 B13R0.336 OCCCCCCCCCCCCBr CNP0591539.0 [0,2,0,0,0,0|0,0,2]=4 383 B13R0.336 OCCCCCCCCCCCCO CNP0172707.0 [0,2,0,0,0,0|0,0,2]=4 384 B13R0.338 CCCCCCCC(N)CCCCC CNP0427184.0 [0,2,0,0,0,0|1,0,1]=4 385 B13R0.338 CCCCCCC[C@H](C)CCCCC CNP0183278.1 [0,2,0,0,0,0|1,0,1]=4 386 B13R0.1 CCCCCCC(=O)CCOC(=O)C CNP0381417.0 [0,2,0,0,0,0|1,0,1]=4 387 B13R0.1 CCCCCCC(O)CCOC(=O)C CNP0003220.0 [0,2,0,0,0,0|1,0,0]=3 388 B13R0.1 CCCCCC[C@@H](O)C/C=C/C(=O)O CNP0159289.2 [0,2,0,0,0,0|0,0,2]=4 389 B13R0.1 CCCCCC[C@H](O)C/C=C/C(=O)O CNP0159289.1 [0,2,0,0,0,0|0,0,2]=4 390 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [0,2,0,0,0,0|0,0,0]=2 391 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [0,2,0,0,0,0|0,0,1]=3 392 B13R0.188 NCSCCC(S)CCCCC(=O)N CNP0273593.0 [0,2,0,0,0,0|2,0,0]=4 393 B13R0.188 NCSCCC(S)CCCCC(=O)O CNP0046006.0 [0,2,0,0,0,0|2,0,0]=4 394 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [0,2,0,0,0,0|0,0,1]=3 395 B13R0.154 CCCCCCCC(=O)NCC(=O)O CNP0052738.0 [0,2,0,0,0,0|1,0,1]=4 396 B13R0.150 C=CCCCCCCC[C@@H](O)[C@H](C)N CNP0160202.1 [0,2,0,0,0,0|1,0,0]=3 397 B13R0.150 CCCCCCCCCC(C)C(=O)C CNP0524122.0 [0,2,0,0,0,0|0,0,0]=2 398 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [0,2,0,0,0,0|0,0,0]=2 399 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [0,2,0,0,0,0|0,0,0]=2 400 B13R0.150 CCCCCCCCC[C@@H](O)[C@H](C)N CNP0142474.1 [0,2,0,0,0,0|1,0,1]=4 401 B13R0.150 CCCCCCCCC[C@H](O)[C@@H](C)N CNP0142474.2 [0,2,0,0,0,0|1,0,1]=4 402 B13R0.150 CSCCCCCCCC(=O)C(=O)O CNP0352754.0 [0,2,0,0,0,0|1,0,1]=4 403 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [0,2,0,0,0,0|1,0,0]=3 404 B13R0.179 CC(=O)CC/C=C/CCCC[C@H](C)O CNP0229571.1 [0,2,0,0,0,0|0,0,2]=4 405 B13R0.179 CC(=O)CCCCCCCCC(C)C CNP0219481.0 [0,2,0,0,0,0|0,0,0]=2 406 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [0,2,0,0,0,0|0,0,0]=2 407 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [0,2,0,0,0,0|0,0,0]=2 408 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [0,2,0,0,0,0|0,0,0]=2 409 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)N CNP0508234.0 [0,2,0,0,0,0|1,0,0]=3 410 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [0,2,0,0,0,0|1,0,0]=3 411 B13R0.179 O=C(O)CCCCCCCCC(=O)O CNP0311812.0 [0,2,0,0,0,0|1,0,1]=4 412 B13R0.202 C=C[C@@H](O)CCCCCCCC(=O)O CNP0388665.1 [0,2,0,0,0,0|0,0,2]=4 413 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [0,2,0,0,0,0|0,0,0]=2 414 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [0,2,0,0,0,0|0,0,0]=2 415 B13R0.202 COC(=O)CCCCCCCC(=O)C CNP0550064.0 [0,2,0,0,0,0|1,0,1]=4 416 B13R0.202 COC(=O)CCCCCCCC(=O)O CNP0202412.0 [0,2,0,0,0,0|1,0,1]=4 417 B13R0.280 CCCCCCCCCCP(=O)(C)C CNP0504286.0 [0,2,0,0,0,0|1,0,0]=3 418 B13R0.280 CCCCCCCCCCS(=O)(=O)O CNP0529919.0 [0,2,0,0,0,0|1,0,0]=3 419 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] CNP0478268.0 [0,2,0,0,0,0|1,0,1]=4 420 B13R0.280 CCCCCCCCCNS(=O)(=O)O CNP0476345.0 [0,2,0,0,0,0|2,0,0]=4 421 B13R0.280 CCCCCCCCCOS(=O)(=O)O CNP0359482.0 [0,2,0,0,0,0|2,0,0]=4 422 B13R0.280 CS(=O)(=O)CCCCCCCCCN CNP0257637.0 [0,2,0,0,0,0|2,0,0]=4 423 B13R0.280 [2H]C([2H])(C)CCCCCCCCCO CNP0480076.0 [0,2,0,0,0,0|0,0,2]=4 424 B13R0.412 CCCCCCCCCC(OC)OC CNP0017635.0 [0,2,0,0,0,0|2,0,0]=4 425 B13R0.1215 C#CC(C)(O)CCCCCCCCC CNP0600953.0 [0,2,0,0,0,0|1,0,1]=4 426 B13R0.1215 CCCCCCCCCC(C)(C)CO CNP0350488.0 [0,2,0,0,0,0|0,0,2]=4 427 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [1,0,0,1,0,0|0,0,1]=3 428 B11R1.17 CC#CC[C@H]1CCCCC1=O CNP0076380.1 [1,0,0,1,0,0|0,0,2]=4 429 B11R1.17 CC=CCC1CCCCC1=O CNP0520836.0 [1,0,0,1,0,0|0,0,2]=4 430 B11R1.17 N#CCC[C@@H]1CCCCC1=O CNP0389654.1 [1,0,0,1,0,0|1,0,1]=4 431 B11R1.17 N#CCC[C@H]1CCCCC1=O CNP0389654.2 [1,0,0,1,0,0|1,0,1]=4 432 B11R1.18 CCCCC1CCCC1CC CNP0603151.0 [1,0,0,1,0,0|0,0,1]=3 433 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [1,0,0,1,0,0|0,0,1]=3 434 B11R1.28 CCCCCC1=NCCCC1 CNP0532846.0 [1,0,0,1,0,0|1,0,1]=4 435 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [1,0,0,1,0,0|0,0,1]=3 436 B11R1.28 CCCCCC1CCCCN1 CNP0582623.0 [1,0,0,1,0,0|1,0,0]=3 437 B11R1.28 O=CCCCC1CCNCC1 CNP0601651.0 [1,0,0,1,0,0|1,0,0]=3 438 B11R1.41 CCCC1CCCCC1CC CNP0083068.0 [1,0,0,1,0,0|0,0,1]=3 439 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [1,0,0,1,0,0|0,0,1]=3 440 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [1,0,0,1,0,0|1,0,1]=4 441 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [1,0,0,1,0,0|1,0,1]=4 442 B11R1.92 C1CCCCCCCCCC1 CNP0508104.0 [1,0,0,1,0,0|0,0,1]=3 443 B11R1.99 CCCCCCCCC1CC1 CNP0611993.0 [1,0,0,1,0,0|0,0,1]=3 444 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [1,0,0,1,0,0|0,0,1]=3 445 B11R1.101 C[C@@H]1CCCCCCCNC1 CNP0435621.1 [1,0,0,1,0,0|1,0,1]=4 446 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [1,0,0,1,0,0|0,0,1]=3 447 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [1,0,0,1,0,0|1,0,1]=4 448 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [1,0,0,1,0,0|0,0,2]=4 449 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [1,0,0,1,0,0|0,0,0]=2 450 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [1,0,0,1,0,0|1,0,0]=3 451 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [1,0,0,1,0,0|0,0,2]=4 452 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [1,0,0,1,0,0|0,0,2]=4 453 B11R1.203 CCCCC1=NCCCCC1 CNP0427788.0 [1,0,0,1,0,0|1,0,1]=4 454 B13R1.6 CCC=CCCC1CCCC(=O)O1 CNP0119575.0 [0,1,0,1,0,0|0,0,2]=4 455 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,1,0,1,0,0|0,0,0]=2 456 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,1,0,1,0,0|1,0,0]=3 457 B13R1.119 CCCCCCCCC1CCCC1 CNP0080496.0 [0,1,0,1,0,0|1,0,1]=4 458 B13R1.190 CCCCCC[C@@H]1CC(=O)CC1=O CNP0252659.1 [0,1,0,1,0,0|0,0,1]=3 459 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [0,1,0,1,0,0|0,0,0]=2 460 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,0]=2 461 B13R1.279 OC1CCCCCCCCCCC1 CNP0367434.0 [0,1,0,1,0,0|0,0,2]=4 462 B13R1.654 CCCCCCCC1CCCC1=O CNP0079998.0 [0,1,0,1,0,0|0,0,0]=2 463 B13R1.28 CCCCCCCC1CCCCC1 CNP0076836.0 [0,1,0,1,0,0|1,0,1]=4 464 B13R1.555 CCCCOCC1OCCCC1=O CNP0382719.0 [0,1,0,1,0,0|1,0,0]=3 465 B13R1.2883 C1CCCCCCCCCCCC1 CNP0566911.0 [0,1,0,1,0,0|1,0,1]=4 466 B13R1.27 CCCCCCCC1C=CC(=O)O1 CNP0546311.0 [0,1,0,1,0,0|0,0,2]=4 467 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,1,0,1,0,0|0,0,0]=2 468 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,1,0,1,0,0|0,0,0]=2 469 B13R1.167 CC(=O)CCCCC1CCCC1=O CNP0595724.0 [0,1,0,1,0,0|0,0,1]=3 470 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [0,1,0,1,0,0|0,0,0]=2 471 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [0,1,0,1,0,0|1,0,0]=3 472 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [0,1,0,1,0,0|0,0,0]=2 473 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [0,1,0,1,0,0|0,0,0]=2 474 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [0,1,0,1,0,0|0,0,0]=2 475 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [0,1,0,1,0,0|0,0,0]=2 476 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [0,1,0,1,0,0|0,0,0]=2 477 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [0,1,0,1,0,0|0,0,0]=2 478 B13R2.3 C1CCC(CC1)C2CCCCC2 CNP0307293.0 [0,0,0,2,0,0|1,0,1]=4 479 B13R2.2094 C/C=C\1/CC[C@@H]2[C@@]1(CCCC2)C CNP0547013.1 [0,0,0,2,0,0|1,0,1]=4 480 B13R2.32 CC1CCC2CCCCC2C1C CNP0612003.0 [0,0,0,2,0,0|1,0,1]=4 481 B13R2.57 OC[C@@H]1CC[C@H]2CCCC[C@H]2C1 CNP0199796.1 [0,0,0,2,0,0|0,0,2]=4 482 B13R2.369 CC1CC2CCCCC2CC1C CNP0612116.0 [0,0,0,2,0,0|1,0,1]=4 483 B13R2.4820 O=C1NCCN2[C@H]1CCCCC2 CNP0440709.1 [0,0,0,2,0,0|2,0,0]=4 484 B13R2.168 CC1CCCCC12CCCC2C CNP0608480.0 [0,0,0,2,0,0|1,0,1]=4