0 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,0,0,0,0,0|1,0,3]=4 6 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,0,0,0,0,0|0,0,4]=4 7 B9R0.45 CC#CCCCCCCC CNP0076890.0 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.45 CCC#CCCCCCC CNP0606734.0 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [0,0,0,0,0,0|0,0,4]=4 11 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,0,0,0,0,0|0,0,4]=4 12 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,0,0,0,0,0|1,0,0]=1 15 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.45 CCCC#CCCCCC CNP0576219.0 [0,0,0,0,0,0|1,0,3]=4 17 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,0,0,0,0,0|0,0,4]=4 19 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,0,0,0,0,0|0,0,2]=2 20 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,0,0,0,0,0|0,0,4]=4 21 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,0,0,0,0,0|0,0,2]=2 22 B9R0.45 CCCCCCC#CCO CNP0485953.0 [0,0,0,0,0,0|0,0,2]=2 23 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [0,0,0,0,0,0|0,0,2]=2 24 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,0,0,0,0,0|0,0,0]=0 25 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,0,0,0,0,0|0,0,3]=3 26 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,0,0,0,0,0|0,0,2]=2 27 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,0,0,0,0,0|1,0,1]=2 28 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,0,0,0,0,0|1,0,3]=4 29 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,0,0,0,0,0|0,0,4]=4 30 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,0,0,0,0,0|1,0,2]=3 32 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,0,0,0,0,0|0,0,2]=2 33 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.45 CCCCCCCNC=O CNP0503918.0 [0,0,0,0,0,0|1,0,3]=4 35 B9R0.45 CCCCCCCOC=O CNP0272781.0 [0,0,0,0,0,0|1,0,3]=4 36 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.45 CCCCCOCCCC CNP0134382.0 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,0,0,0,0,0|1,0,2]=3 40 B9R0.45 CSCCCCCC=NO CNP0405939.0 [0,0,0,0,0,0|2,0,1]=3 41 B9R0.45 NCCCCCCCCN CNP0462737.0 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.45 OCCOCCOCCO CNP0560711.0 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.45 SCCCCCCCCS CNP0058300.0 [0,0,0,0,0,0|1,1,2]=4 45 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,0,0,0,0|0,0,2]=3 46 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,0,0,0,0|0,0,2]=3 47 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,0,0,0,0|0,0,3]=4 48 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,0,0,0,0,0|0,0,2]=3 49 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.4 CC=CC#CCCCC CNP0343796.0 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.4 CC=CC#CCCCO CNP0536748.0 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.4 CC=CCCC=CCO CNP0076887.0 [1,0,0,0,0,0|0,0,2]=3 54 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|0,0,0]=1 56 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.4 CC=CCSCC=CC CNP0134379.0 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.4 CC=CSSCCCC CNP0612155.0 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.4 CC=CSSSCCC CNP0003371.0 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.4 CCC=CCC=CCO CNP0338368.0 [1,0,0,0,0,0|0,0,2]=3 61 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|2,0,0]=3 64 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,0,0,0,0|0,0,2]=3 65 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,0,0,0,0|0,0,3]=4 67 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,0,0,0,0|0,0,2]=3 68 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,0,0,0,0|0,0,2]=3 69 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|0,0,0]=1 70 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,0,0,0,0|0,0,0]=1 71 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,0,0,0,0|1,0,0]=2 72 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,0,0,0,0|1,0,2]=4 73 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|0,0,2]=3 74 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|0,0,2]=3 75 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|1,0,1]=3 76 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|0,0,1]=2 77 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|1,0,1]=3 78 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,0,0,0,0|1,0,1]=3 79 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|0,0,2]=3 80 B8R0.4 CCCCCCN=C=S CNP0253332.0 [1,0,0,0,0,0|1,1,1]=4 81 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|1,0,1]=3 82 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.4 CCCCCCSSC CNP0510251.0 [1,0,0,0,0,0|2,0,0]=3 84 B8R0.4 CCCCNCCCC CNP0203128.0 [1,0,0,0,0,0|1,0,2]=4 85 B8R0.4 CCCCOCCCC CNP0077266.0 [1,0,0,0,0,0|1,0,2]=4 86 B8R0.4 CCCCOCCCO CNP0141373.0 [1,0,0,0,0,0|1,0,1]=3 87 B8R0.4 CCCCSCCCC CNP0370059.0 [1,0,0,0,0,0|1,0,2]=4 88 B8R0.4 CCNCCCNCC CNP0239670.0 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.4 CCOCCOCCO CNP0079970.0 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.4 CSCCCCC=NO CNP0070910.0 [1,0,0,0,0,0|2,0,0]=3 91 B8R0.4 CSCCCN=CC=S CNP0098576.0 [1,0,0,0,0,0|2,1,0]=4 92 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [1,0,0,0,0,0|2,1,0]=4 93 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,1,0,0,0,0|2,0,1]=4 94 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,0,0,0,0|0,0,3]=4 95 B10R0.1 CCCC=CCC(C)CCC CNP0147977.0 [0,1,0,0,0,0|1,0,2]=4 96 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,1,0,0,0,0|0,0,1]=2 97 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,1,0,0,0,0|2,0,0]=3 98 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,1,0,0,0,0|1,0,2]=4 99 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [0,1,0,0,0,0|0,0,2]=3 100 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,1,0,0,0,0|1,0,2]=4 101 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [0,1,0,0,0,0|0,0,2]=3 102 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,1,0,0,0,0|3,0,0]=4 104 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|0,0,3]=4 105 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [0,1,0,0,0,0|0,0,3]=4 106 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,1,0,0,0,0|0,0,3]=4 107 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,0,0,0,0|0,0,3]=4 108 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [0,1,0,0,0,0|0,0,2]=3 109 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|0,0,2]=3 110 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,0,0,0,0|0,0,2]=3 111 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,0,0,0,0|0,0,2]=3 112 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,0,0,0,0|0,0,1]=2 113 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,1,0,0,0,0|0,0,0]=1 114 B10R0.4 CCCCCCC=NN(C)C CNP0085650.0 [0,1,0,0,0,0|3,0,0]=4 115 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,0,0,0,0|0,0,3]=4 116 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,1,0,0,0,0|0,0,2]=3 118 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,1,0,0,0,0|0,0,2]=3 119 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [0,1,0,0,0,0|2,0,1]=4 120 B10R0.71 C#CC=CC#CCCCCC CNP0547253.0 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,1,0,0,0,0|1,0,2]=4 123 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,1,0,0,0,0|1,0,0]=2 124 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,1,0,0,0,0|1,0,2]=4 125 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [0,1,0,0,0,0|0,0,3]=4 126 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [0,1,0,0,0,0|1,0,2]=4 127 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [0,1,0,0,0,0|0,0,3]=4 128 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.71 CCC#CC=CCCCCC CNP0109430.0 [0,1,0,0,0,0|1,0,2]=4 130 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [0,1,0,0,0,0|1,0,2]=4 131 B10R0.71 CCC=CCC=CCCCO CNP0129828.0 [0,1,0,0,0,0|1,0,2]=4 132 B10R0.71 CCC=CCCCC=CCO CNP0166267.0 [0,1,0,0,0,0|0,0,1]=2 133 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [0,1,0,0,0,0|1,0,0]=2 134 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [0,1,0,0,0,0|1,0,0]=2 135 B10R0.71 CCCC#CC#CC=CCO CNP0140972.0 [0,1,0,0,0,0|0,0,3]=4 136 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [0,1,0,0,0,0|1,0,2]=4 137 B10R0.71 CCCC=CC#CC=CCO CNP0251903.0 [0,1,0,0,0,0|0,0,3]=4 138 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,1,0,0,0,0|1,0,0]=2 140 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [0,1,0,0,0,0|2,0,0]=3 141 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [0,1,0,0,0,0|1,0,2]=4 142 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [0,1,0,0,0,0|0,0,3]=4 143 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,1,0,0,0,0|0,0,3]=4 144 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [0,1,0,0,0,0|0,0,1]=2 145 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,1,0,0,0,0|0,0,3]=4 146 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [0,1,0,0,0,0|0,0,2]=3 147 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,1,0,0,0,0|0,0,0]=1 148 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [0,1,0,0,0,0|0,0,2]=3 149 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,1,0,0,0,0|0,0,2]=3 150 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,1,0,0,0,0|0,0,0]=1 151 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [0,1,0,0,0,0|1,0,1]=3 152 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [0,1,0,0,0,0|0,0,3]=4 153 B10R0.71 CCCCCCCCCCC CNP0270748.0 [0,1,0,0,0,0|1,0,2]=4 154 B10R0.71 CCCCCCCCCCI CNP0573243.0 [0,1,0,0,0,0|1,0,2]=4 155 B10R0.71 CCCCCCCCCCN CNP0456638.0 [0,1,0,0,0,0|1,0,2]=4 156 B10R0.71 CCCCCCCCCCO CNP0305576.0 [0,1,0,0,0,0|0,0,2]=3 157 B10R0.71 CCCCCCCCCCS CNP0541016.0 [0,1,0,0,0,0|0,1,2]=4 158 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [0,1,0,0,0,0|1,0,2]=4 159 B10R0.71 CCCCCCCCCOC CNP0246631.0 [0,1,0,0,0,0|0,0,2]=3 160 B10R0.71 CCCCCCCCOCC CNP0319929.0 [0,1,0,0,0,0|1,0,2]=4 161 B10R0.71 CCCCCNCCCCC CNP0450899.0 [0,1,0,0,0,0|1,0,2]=4 162 B10R0.71 CCCCOCCOCCO CNP0079968.0 [0,1,0,0,0,0|1,0,1]=3 163 B10R0.71 COCCOCCOCCO CNP0413334.0 [0,1,0,0,0,0|2,0,1]=4 164 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [0,1,0,0,0,0|1,0,1]=3 165 B10R0.71 CSCCCCCCCCN CNP0083876.0 [0,1,0,0,0,0|1,0,2]=4 166 B10R0.71 OCCCCCCCCCO CNP0496013.0 [0,1,0,0,0,0|0,0,2]=3 167 B10R0.71 SCCCCCCCCCS CNP0323084.0 [0,1,0,0,0,0|0,1,2]=4 168 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [0,1,0,0,0,0|1,0,2]=4 169 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,0,0,0,0|1,0,2]=4 170 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,0,0,0,0|2,0,1]=4 171 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,0,0,0,0|2,0,1]=4 173 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,0,0,0,0|1,0,1]=3 174 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|1,0,1]=3 175 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|2,0,1]=4 176 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,0,0,0,0|1,0,1]=3 177 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|2,0,1]=4 178 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,1,0,0,0,0|1,0,2]=4 179 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,1,0,0,0,0|1,0,2]=4 180 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,1,0,0,0,0|1,0,2]=4 181 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,1,0,0,0,0|1,0,2]=4 182 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,1,0,0,0,0|1,0,2]=4 183 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|2,0,0]=3 184 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,1,0,0,0,0|1,0,1]=3 185 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,1,0,0,0,0|0,0,3]=4 186 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,1,0,0,0,0|0,0,3]=4 187 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,1,0,0,0,0|0,0,3]=4 188 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,1,0,0,0,0|0,0,1]=2 189 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [0,1,0,0,0,0|1,0,2]=4 190 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [0,1,0,0,0,0|0,0,2]=3 191 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [0,1,0,0,0,0|0,0,2]=3 192 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [0,1,0,0,0,0|1,0,2]=4 193 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [0,1,0,0,0,0|0,0,2]=3 194 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [0,1,0,0,0,0|0,0,2]=3 195 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [0,0,0,1,0,0|1,0,2]=4 196 B10R1.4 C[C@@H]1COCC[C@@H]1CCO CNP0154189.2 [0,0,0,1,0,0|1,0,2]=4 197 B10R1.4 C[C@@H]1COCC[C@H]1CCO CNP0154189.4 [0,0,0,1,0,0|1,0,2]=4 198 B10R1.4 C[C@H]1COCC[C@@H]1CCO CNP0154189.1 [0,0,0,1,0,0|1,0,2]=4 199 B10R1.4 C[C@H]1COCC[C@H]1CCO CNP0154189.3 [0,0,0,1,0,0|1,0,2]=4 200 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [0,0,0,1,0,0|1,0,2]=4 201 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [0,0,0,1,0,0|1,0,2]=4 202 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,0,0,1,0,0|0,0,2]=3 203 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [0,0,0,1,0,0|0,1,2]=4 204 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [0,0,0,1,0,0|1,0,2]=4 205 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [0,0,0,1,0,0|1,0,2]=4 206 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [0,0,0,1,0,0|1,0,2]=4 207 B10R1.21 CCCCCC1NCCS1 CNP0234327.0 [0,0,0,1,0,0|1,1,1]=4 208 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|2,0,1]=4 209 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [0,0,0,1,0,0|0,0,2]=3 210 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [0,0,0,1,0,0|1,0,0]=2 211 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [0,0,0,1,0,0|1,0,2]=4 212 B7R0.1 C#CC=CCCCC CNP0076122.0 [2,0,0,0,0,0|1,0,1]=4 213 B7R0.1 C=CC=CCCCC CNP0084214.0 [2,0,0,0,0,0|0,0,2]=4 214 B7R0.1 C=CCCCC=CC CNP0076717.0 [2,0,0,0,0,0|0,0,2]=4 215 B7R0.1 C=CCCCCC=C CNP0118215.0 [2,0,0,0,0,0|0,0,2]=4 216 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|0,0,0]=2 217 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|1,0,0]=3 218 B7R0.1 C=CCSSCCC CNP0170059.0 [2,0,0,0,0,0|2,0,0]=4 219 B7R0.1 CC=CC=CCCC CNP0275494.0 [2,0,0,0,0,0|0,0,2]=4 220 B7R0.1 CC=CCC=CCO CNP0168622.0 [2,0,0,0,0,0|0,0,2]=4 221 B7R0.1 CC=CCCC=CC CNP0082120.0 [2,0,0,0,0,0|0,0,2]=4 222 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|0,0,0]=2 223 B7R0.1 CC=CCSCCC CNP0536250.0 [2,0,0,0,0,0|1,0,0]=3 224 B7R0.1 CC=CSSCCC CNP0421889.0 [2,0,0,0,0,0|2,0,0]=4 225 B7R0.1 CCC#CC=CCO CNP0417978.0 [2,0,0,0,0,0|0,0,2]=4 226 B7R0.1 CCC=CC=CCO CNP0332799.0 [2,0,0,0,0,0|0,0,2]=4 227 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|1,0,0]=3 228 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|0,0,2]=4 229 B7R0.1 CCCC=CC=CO CNP0524724.0 [2,0,0,0,0,0|0,0,2]=4 230 B7R0.1 CCCC=CCCO CNP0287313.0 [2,0,0,0,0,0|0,0,2]=4 231 B7R0.1 CCCCC=CC=O CNP0210810.0 [2,0,0,0,0,0|0,0,2]=4 232 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|0,0,0]=2 233 B7R0.1 CCCCCCC#N CNP0186663.0 [2,0,0,0,0,0|1,0,1]=4 234 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,1]=3 235 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,1]=3 236 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,0]=3 237 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|0,0,0]=2 238 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|1,0,0]=3 239 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|1,0,1]=4 240 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|1,0,1]=4 241 B7R0.1 CCCCCSSC CNP0201479.0 [2,0,0,0,0,0|2,0,0]=4 242 B7R0.1 CCCCN=CC=S CNP0423600.0 [2,0,0,0,0,0|1,1,0]=4 243 B7R0.1 CCCCNCCO CNP0185911.0 [2,0,0,0,0,0|1,0,0]=3 244 B7R0.1 CCCCOCCO CNP0080154.0 [2,0,0,0,0,0|1,0,0]=3 245 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [2,0,0,0,0,0|1,1,0]=4 246 B7R0.1 CCNCCCCN CNP0107714.0 [2,0,0,0,0,0|2,0,0]=4 247 B7R0.1 CNCCCCCN CNP0390055.0 [2,0,0,0,0,0|2,0,0]=4 248 B7R0.1 CNCCCCNC CNP0145070.0 [2,0,0,0,0,0|2,0,0]=4 249 B7R0.1 COCCOCCO CNP0610336.0 [2,0,0,0,0,0|2,0,0]=4 250 B7R0.1 CSCCCC=NO CNP0610383.0 [2,0,0,0,0,0|2,0,0]=4 251 B7R0.1 NCCCCCCN CNP0230906.0 [2,0,0,0,0,0|2,0,0]=4 252 B7R0.1 NCCCCCCO CNP0568466.0 [2,0,0,0,0,0|1,0,0]=3 253 B7R0.1 NCCCCCNO CNP0455910.0 [2,0,0,0,0,0|2,0,0]=4 254 B7R0.1 OCCCCCCBr CNP0593386.0 [2,0,0,0,0,0|1,0,0]=3 255 B7R0.1 OCCCCCCO CNP0080019.0 [2,0,0,0,0,0|1,0,0]=3 256 B7R0.1 OCCCCCCS CNP0154751.0 [2,0,0,0,0,0|1,0,0]=3 257 B7R0.1 OCCCSCCO CNP0079791.0 [2,0,0,0,0,0|2,0,0]=4 258 B7R0.1 SCCCCCCS CNP0089642.0 [2,0,0,0,0,0|1,1,0]=4 259 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [1,1,0,0,0,0|0,0,2]=4 260 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [1,1,0,0,0,0|0,0,2]=4 261 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,1,0,0,0,0|0,0,2]=4 262 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,1,0,0,0,0|2,0,0]=4 263 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [1,1,0,0,0,0|0,0,2]=4 264 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [1,1,0,0,0,0|1,0,1]=4 265 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [1,1,0,0,0,0|1,0,0]=3 266 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,1,0,0,0,0|0,0,1]=3 267 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,1,0,0,0,0|0,0,1]=3 268 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,1,0,0,0,0|0,0,1]=3 269 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,1,0,0,0,0|0,0,2]=4 270 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,1,0,0,0,0|0,0,2]=4 271 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,1,0,0,0,0|0,0,1]=3 272 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,1,0,0,0,0|0,0,2]=4 273 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,1,0,0,0,0|0,0,2]=4 274 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,1,0,0,0,0|0,0,2]=4 275 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,1,0,0,0,0|0,0,2]=4 276 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,1,0,0,0,0|0,0,2]=4 277 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,1,0,0,0,0|0,0,2]=4 278 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,1,0,0,0,0|0,0,2]=4 279 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,1,0,0,0,0|0,0,1]=3 280 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,1,0,0,0,0|0,0,1]=3 281 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,1,0,0,0,0|1,0,0]=3 283 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,1,0,0,0,0|1,0,1]=4 284 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,1,0,0,0,0|1,0,1]=4 285 B9R0.5 C/C=C/[S@@+]([O-])SCCCC CNP0553305.1 [1,1,0,0,0,0|2,0,0]=4 286 B9R0.5 C/C=C/[S@@H+]([O-])SCCCC CNP0479452.1 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [1,1,0,0,0,0|0,0,2]=4 288 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,1,0,0,0,0|0,0,1]=3 289 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,1,0,0,0,0|1,0,1]=4 290 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,1,0,0,0,0|0,0,1]=3 291 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [1,1,0,0,0,0|2,0,0]=4 292 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,1,0,0,0,0|0,0,1]=3 294 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|2,0,0]=4 295 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|0,0,2]=4 296 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|0,0,2]=4 297 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,1,0,0,0,0|0,0,2]=4 298 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [1,1,0,0,0,0|1,0,0]=3 300 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,1,0,0,0,0|0,0,2]=4 301 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [1,1,0,0,0,0|0,0,1]=3 302 B9R0.18 C/C=C/S[S@@+]([O-])CCCC CNP0596048.2 [1,1,0,0,0,0|2,0,0]=4 303 B9R0.18 C/C=C/S[S@@H+]([O-])CCCC CNP0583303.1 [1,1,0,0,0,0|2,0,0]=4 304 B9R0.18 C/C=C\S[S@@+]([O-])CCCC CNP0596048.1 [1,1,0,0,0,0|2,0,0]=4 305 B9R0.18 C/C=C\S[S@@H+]([O-])CCCC CNP0583303.2 [1,1,0,0,0,0|2,0,0]=4 306 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,1,0,0,0,0|0,0,1]=3 307 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,1,0,0,0,0|0,0,2]=4 308 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,1,0,0,0,0|0,0,2]=4 309 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [1,1,0,0,0,0|0,0,2]=4 310 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [1,1,0,0,0,0|1,0,0]=3 311 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,1,0,0,0,0|0,0,1]=3 312 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [1,1,0,0,0,0|2,0,0]=4 313 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,1,0,0,0,0|1,0,0]=3 314 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|0,0,2]=4 315 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [1,1,0,0,0,0|0,0,1]=3 316 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|0,0,2]=4 317 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,1,0,0,0,0|0,0,2]=4 318 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [1,1,0,0,0,0|0,0,1]=3 319 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,1,0,0,0,0|1,0,1]=4 320 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,1,0,0,0,0|0,0,2]=4 321 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,1,0,0,0,0|1,0,1]=4 322 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [1,1,0,0,0,0|0,0,1]=3 323 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,2,0,0,0,0|0,0,1]=3 324 B11R0.4 C/C=C/C=C/CC[C@H](O)CCC CNP0425665.1 [0,2,0,0,0,0|1,0,1]=4 325 B11R0.4 CC/C=C/CCO[C@@H](C)OCC CNP0204236.1 [0,2,0,0,0,0|2,0,0]=4 326 B11R0.4 CC/C=C\CCO[C@@H](C)OCC CNP0204236.2 [0,2,0,0,0,0|2,0,0]=4 327 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,2,0,0,0,0|1,0,1]=4 328 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,2,0,0,0,0|1,0,1]=4 329 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,2,0,0,0,0|1,0,1]=4 330 B11R0.4 CCCCCC=CC(C)CCO CNP0003544.0 [0,2,0,0,0,0|0,0,2]=4 331 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,2,0,0,0,0|0,0,0]=2 332 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,2,0,0,0,0|1,0,1]=4 333 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|1,0,1]=4 334 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,2,0,0,0,0|1,0,1]=4 335 B11R0.81 C=CCOC(=O)CCCCCC CNP0085340.0 [0,2,0,0,0,0|2,0,0]=4 336 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,2,0,0,0,0|0,0,2]=4 337 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [0,2,0,0,0,0|1,0,1]=4 338 B11R0.174 C/C(=C\CO)/CCC[C@H](C)CO CNP0299538.1 [0,2,0,0,0,0|1,0,0]=3 339 B11R0.174 C=C(CO)CCCC(=CCO)C CNP0409532.0 [0,2,0,0,0,0|1,0,1]=4 340 B11R0.174 CC(=CCCC(C)CC=O)CO CNP0506134.0 [0,2,0,0,0,0|1,0,1]=4 341 B11R0.174 CC(=CCCC(C)CCO)CO CNP0579020.0 [0,2,0,0,0,0|1,0,0]=3 342 B11R0.174 CCCC(C)CCCC(C)CO CNP0041473.0 [0,2,0,0,0,0|0,0,2]=4 343 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [0,2,0,0,0,0|0,0,1]=3 344 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,2,0,0,0,0|2,0,0]=4 345 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,2,0,0,0,0|2,0,0]=4 346 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,2,0,0,0,0|0,0,2]=4 347 B11R0.40 C#CC(O)C=CCCCCCC CNP0540636.0 [0,2,0,0,0,0|0,0,0]=2 348 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,2,0,0,0,0|1,0,1]=4 349 B11R0.40 C=C[C@@H](O)C/C=C/CCCCC CNP0262643.1 [0,2,0,0,0,0|0,0,2]=4 350 B11R0.40 C=C[C@@H](O)C/C=C\CCCCC CNP0262643.2 [0,2,0,0,0,0|0,0,2]=4 351 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,2,0,0,0,0|0,0,2]=4 352 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,2,0,0,0,0|1,0,1]=4 353 B11R0.40 CCC=CCCCCC(C)CC CNP0546883.0 [0,2,0,0,0,0|1,0,0]=3 354 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,2,0,0,0,0|0,0,1]=3 355 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,2,0,0,0,0|1,0,1]=4 356 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,2,0,0,0,0|0,0,2]=4 357 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,2,0,0,0,0|0,0,2]=4 358 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,2,0,0,0,0|1,0,1]=4 359 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,2,0,0,0,0|0,0,2]=4 360 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,2,0,0,0,0|2,0,0]=4 361 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [0,2,0,0,0,0|0,0,2]=4 362 B11R0.46 CCCCCC(=O)C=CC(C)C CNP0585991.0 [0,2,0,0,0,0|1,0,1]=4 363 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,2,0,0,0,0|0,0,1]=3 364 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,2,0,0,0,0|0,0,1]=3 365 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,2,0,0,0,0|0,0,1]=3 366 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,2,0,0,0,0|0,0,1]=3 367 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,2,0,0,0,0|0,0,1]=3 368 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [0,2,0,0,0,0|0,0,2]=4 369 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [0,2,0,0,0,0|0,0,2]=4 370 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [0,2,0,0,0,0|0,0,2]=4 371 B11R0.147 CC(C)CCCC(C)CCCO CNP0568830.0 [0,2,0,0,0,0|0,0,2]=4 372 B11R0.147 CC(C)CCC[C@@H](C)C/C=N/O CNP0026549.2 [0,2,0,0,0,0|1,0,1]=4 373 B11R0.147 CC(C)CCC[C@H](C)C/C=N/O CNP0026549.1 [0,2,0,0,0,0|1,0,1]=4 374 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|1,0,1]=4 375 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,2,0,0,0,0|1,0,1]=4 376 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|1,0,1]=4 377 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,2,0,0,0,0|0,0,2]=4 378 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,2,0,0,0,0|0,0,2]=4 379 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,2,0,0,0,0|0,0,0]=2 380 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,2,0,0,0,0|0,0,2]=4 381 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,2,0,0,0,0|0,0,2]=4 382 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,2,0,0,0,0|0,0,2]=4 383 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,2,0,0,0,0|0,0,1]=3 384 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,2,0,0,0,0|0,0,2]=4 385 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,2,0,0,0,0|0,0,2]=4 386 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,2,0,0,0,0|0,0,2]=4 387 B11R0.159 CCC=CCCCSC(C)(C)C CNP0345692.0 [0,2,0,0,0,0|2,0,0]=4 388 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [0,2,0,0,0,0|1,0,1]=4 389 B11R0.3 C#CCCCCCCCCCO CNP0539400.0 [0,2,0,0,0,0|0,0,2]=4 390 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [0,2,0,0,0,0|1,0,1]=4 391 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [0,2,0,0,0,0|0,0,2]=4 392 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [0,2,0,0,0,0|0,0,2]=4 393 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [0,2,0,0,0,0|1,0,1]=4 394 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [0,2,0,0,0,0|0,0,2]=4 395 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [0,2,0,0,0,0|1,0,0]=3 396 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [0,2,0,0,0,0|1,0,0]=3 397 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [0,2,0,0,0,0|0,0,2]=4 398 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [0,2,0,0,0,0|0,0,2]=4 399 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [0,2,0,0,0,0|0,0,1]=3 400 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [0,2,0,0,0,0|0,0,2]=4 401 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [0,2,0,0,0,0|0,0,0]=2 402 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [0,2,0,0,0,0|0,0,2]=4 403 B11R0.3 CCCCCCCCCCON CNP0565549.0 [0,2,0,0,0,0|0,0,2]=4 404 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [0,2,0,0,0,0|0,0,2]=4 405 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [0,2,0,0,0,0|1,0,1]=4 406 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [0,2,0,0,0,0|0,0,2]=4 407 B11R0.3 OCCCCCCCCNCO CNP0481493.0 [0,2,0,0,0,0|0,0,2]=4 408 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [0,2,0,0,0,0|1,0,0]=3 409 B11R0.49 CCCCCCCC(C)(C)CO CNP0350508.0 [0,2,0,0,0,0|0,0,2]=4 410 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,2]=4 412 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|1,0,1]=4 413 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,1,0,0|0,0,2]=4 414 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [1,0,0,1,0,0|1,0,1]=4 415 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,1,0,0|0,0,2]=4 416 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [1,0,0,1,0,0|1,0,1]=4 417 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [1,0,0,1,0,0|1,0,1]=4 418 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [1,0,0,1,0,0|1,0,1]=4 419 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,0,0,1,0,0|1,0,1]=4 420 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,1,0,0|1,0,1]=4 421 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [1,0,0,1,0,0|1,0,1]=4 422 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [1,0,0,1,0,0|1,0,1]=4 423 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [1,0,0,1,0,0|1,0,1]=4 424 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,1,0,0|0,0,2]=4 425 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,0,0,1,0,0|1,0,1]=4 426 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|0,0,1]=3 427 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [1,0,0,1,0,0|0,0,0]=2 428 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [1,0,0,1,0,0|0,0,2]=4 429 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [1,0,0,1,0,0|0,0,2]=4 430 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [1,0,0,1,0,0|0,0,2]=4 431 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|0,0,2]=4 432 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [1,0,0,1,0,0|0,0,2]=4 433 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|0,0,2]=4 434 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [1,0,0,1,0,0|0,1,1]=4 435 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [1,0,0,1,0,0|0,0,2]=4 436 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|0,0,2]=4 437 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [1,0,0,1,0,0|0,0,2]=4 438 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [0,1,0,1,0,0|1,0,1]=4 439 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [0,1,0,1,0,0|0,0,1]=3 440 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [0,1,0,1,0,0|0,1,1]=4 441 B11R1.16 CCOC(=O)C1CCCCC1 CNP0408576.0 [0,1,0,1,0,0|2,0,0]=4 442 B11R1.81 CCC[C@H]1CC[C@H](C[C@H]1O)C CNP0095708.1 [0,1,0,1,0,0|0,0,2]=4 443 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,1]=3 444 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,1,0,1,0,0|0,0,2]=4 445 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [0,1,0,1,0,0|0,0,2]=4 446 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,1,0,1,0,0|1,0,1]=4 447 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,1,0,0|2,0,0]=4 448 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,1,0,1,0,0|0,0,2]=4 449 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,1,0,1,0,0|0,0,2]=4 450 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [0,1,0,1,0,0|1,0,1]=4 451 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,1,0,1,0,0|0,0,1]=3 452 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|2,0,0]=4 453 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|2,0,0]=4 454 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,1,0,1,0,0|0,0,2]=4 455 B11R1.742 CC(O)CN1CCCCCC1 CNP0514501.0 [0,1,0,1,0,0|1,0,1]=4 456 B11R1.18 C=C[C@@H]1CCC[C@@H]1/C=C/CC CNP0336549.1 [0,1,0,1,0,0|1,0,1]=4 457 B11R1.18 C=C[C@@H]1CCC[C@@H]1/C=C\CC CNP0336549.2 [0,1,0,1,0,0|1,0,1]=4 458 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [0,1,0,1,0,0|1,0,1]=4 459 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [0,1,0,1,0,0|1,0,1]=4 460 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [0,1,0,1,0,0|1,0,0]=3 461 B11R1.203 CCCC[C@@H]1C=CCC=CC1 CNP0118710.2 [0,1,0,1,0,0|1,0,0]=3 462 B11R1.203 CCCC[C@H]1C=CCC=CC1 CNP0118710.1 [0,1,0,1,0,0|1,0,0]=3 463 B11R1.216 CCCCC1OC1C=CC=O CNP0451986.0 [0,1,0,1,0,0|0,0,2]=4 464 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,1,0,1,0,0|1,0,1]=4 465 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,1,0,1,0,0|1,0,0]=3 466 B11R1.1 COC=CC1CCC(CC1)C CNP0196102.0 [0,1,0,1,0,0|2,0,0]=4 467 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,1,0,1,0,0|2,0,0]=4 468 B11R1.40 N[C@H](CO)CC1CCCCC1 CNP0508776.1 [0,1,0,1,0,0|0,0,2]=4 469 B11R2.20 C1=CCC2=C(C1)CCCC2 CNP0252547.0 [0,0,0,2,0,0|1,0,1]=4 470 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|0,0,2]=4 471 B11R2.191 OCC1=CCN2[C@H]1CCC2 CNP0212629.1 [0,0,0,2,0,0|1,0,0]=3 472 B11R2.635 CCC=C1C2C1CCCC2 CNP0517847.0 [0,0,0,2,0,0|1,0,0]=3 473 B11R2.173 C=CC1=C2CCC2CCC1 CNP0379494.0 [0,0,0,2,0,0|1,0,1]=4 474 B11R2.173 C=CC1=C2CC[C@@H]2CCC1 CNP0379494.1 [0,0,0,2,0,0|1,0,1]=4