0 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 C#CCCC#CCCCC CNP0154366.0 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.45 CC#CCCCCCCC CNP0076890.0 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,0,0,0,0,0|1,0,3]=4 11 B9R0.45 CC=CCSSCCCC CNP0548815.0 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.45 CCC#CCCCCCC CNP0606734.0 [0,0,0,0,0,0|1,0,3]=4 13 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [0,0,0,0,0,0|0,0,4]=4 14 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,0,0,0,0,0|0,0,4]=4 15 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [0,0,0,0,0,0|0,0,2]=2 16 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,0,0,0,0,0|1,0,3]=4 17 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,0,0,0,0,0|0,0,4]=4 18 B9R0.45 CCCC#CCCCCC CNP0576219.0 [0,0,0,0,0,0|1,0,3]=4 19 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,0,0,0,0,0|1,0,3]=4 20 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,0,0,0,0,0|0,0,4]=4 21 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [0,0,0,0,0,0|0,0,2]=2 22 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,0,0,0,0,0|0,0,2]=2 23 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,0,0,0,0,0|0,0,4]=4 24 B9R0.45 CCCCCCC#CCO CNP0485953.0 [0,0,0,0,0,0|0,0,4]=4 25 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [0,0,0,0,0,0|0,0,2]=2 26 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,0,0,0,0,0|0,0,4]=4 27 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,0,0,0,0,0|0,0,2]=2 28 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,0,0,0,0,0|0,0,2]=2 29 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,0,0,0,0,0|1,0,1]=2 31 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,0,0,0,0,0|0,0,0]=0 32 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,0,0,0,0,0|1,0,1]=2 33 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,0,0,0,0,0|1,0,1]=2 34 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,0,0,0,0,0|0,0,2]=2 35 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,0,0,0,0,0|2,0,0]=2 36 B9R0.45 CCCCCCCNC=O CNP0503918.0 [0,0,0,0,0,0|1,0,0]=1 37 B9R0.45 CCCCCCCOC=O CNP0272781.0 [0,0,0,0,0,0|1,0,0]=1 38 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,0,0,0,0,0|2,0,1]=3 40 B9R0.45 CCCCCOCCCC CNP0134382.0 [0,0,0,0,0,0|2,0,1]=3 41 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,0,0,0,0,0|1,0,2]=3 42 B9R0.45 CCOCCOCCOC CNP0567615.0 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.45 CSCCCCCC#[N+][O-] CNP0559721.0 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.45 CSCCCCCC=NO CNP0405939.0 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.45 CSCCCCCCC#N CNP0328653.0 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.45 CSCCCCCN=C=S CNP0328420.0 [0,0,0,0,0,0|2,1,1]=4 47 B9R0.45 N#CCCCCCCC#N CNP0370279.0 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.45 NCCCCCCCCN CNP0462737.0 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.45 NCCCCNCCCN CNP0279184.0 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.45 NCCCNCCCC=O CNP0100864.0 [0,0,0,0,0,0|2,0,0]=2 51 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,0,0,0,0,0|1,0,2]=3 52 B9R0.45 SCCCCCCCCS CNP0058300.0 [0,0,0,0,0,0|1,1,1]=3 53 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,0,0,0,0|0,0,3]=4 54 B8R0.4 C=CCCCCCC=C CNP0320273.0 [1,0,0,0,0,0|0,0,3]=4 55 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,0,0,0,0,0|0,0,2]=3 56 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,0,0,0,0|0,0,1]=2 57 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,0,0,0,0,0|0,0,3]=4 59 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|1,0,2]=4 60 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,0,0,0,0|0,0,2]=3 61 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|1,0,1]=3 62 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,0,0,0,0|0,0,3]=4 63 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,0,0,0,0|0,0,2]=3 64 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|0,0,3]=4 65 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|0,0,3]=4 66 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,0,0,0,0,0|0,0,3]=4 68 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,0,0,0,0,0|0,0,3]=4 69 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,0,0,0,0|0,0,3]=4 70 B8R0.4 CCCC=CCOC=O CNP0131807.0 [1,0,0,0,0,0|1,0,2]=4 71 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,0,0,0,0|0,0,2]=3 72 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,0,0,0,0|0,0,3]=4 73 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,0,0,0,0,0|1,0,2]=4 74 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,0,0,0,0|0,0,2]=3 75 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|0,0,3]=4 76 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,0,0,0,0|0,0,2]=3 77 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,0,0,0,0|1,0,2]=4 78 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,0,0,0,0|1,0,1]=3 79 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|0,0,0]=1 80 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|0,0,1]=2 81 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|1,0,0]=2 82 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|0,0,1]=2 83 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|1,0,1]=3 84 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,0,0,0,0|1,0,1]=3 85 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|0,0,0]=1 86 B8R0.4 CCCCCCN=C=S CNP0253332.0 [1,0,0,0,0,0|1,1,1]=4 87 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|1,0,0]=2 88 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|1,0,1]=3 89 B8R0.4 CCCCCCSSC CNP0510251.0 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.4 CCCCNCCCC CNP0203128.0 [1,0,0,0,0,0|1,0,1]=3 91 B8R0.4 CCCCOCCCC CNP0077266.0 [1,0,0,0,0,0|1,0,1]=3 92 B8R0.4 CCCCOCCCO CNP0141373.0 [1,0,0,0,0,0|1,0,1]=3 93 B8R0.4 CCCCSCCCC CNP0370059.0 [1,0,0,0,0,0|1,0,1]=3 94 B8R0.4 CCCCSSCCC CNP0003137.0 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.4 CCNCCCNCC CNP0239670.0 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.4 CCOCCOCCO CNP0079970.0 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.4 CSCCCCCC#N CNP0267304.0 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.4 NCCCNCCCN CNP0609056.0 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.4 NCCCOCCCN CNP0453820.0 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,1,0,0,0,0|2,0,1]=4 101 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,0,0,0,0|0,0,3]=4 102 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,1,0,0,0,0|0,0,3]=4 103 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [0,1,0,0,0,0|1,0,0]=2 104 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,1,0,0,0,0|1,0,1]=3 105 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [0,1,0,0,0,0|0,0,2]=3 106 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,1,0,0,0,0|1,0,1]=3 107 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [0,1,0,0,0,0|0,0,2]=3 108 B10R0.1 CCCN(N)CCCCCN CNP0546326.0 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,0,0,0,0|0,0,2]=3 110 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,1,0,0,0,0|0,0,2]=3 111 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,0,0,0,0|0,0,2]=3 112 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|1,0,0]=2 113 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [0,1,0,0,0,0|0,0,0]=1 114 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,1,0,0,0,0|0,0,2]=3 115 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,0,0,0,0|0,0,2]=3 116 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,0,0,0,0|0,0,2]=3 117 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,1,0,0,0,0|0,0,2]=3 120 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,1,0,0,0,0|0,0,2]=3 121 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,0,0,0,0|0,0,2]=3 122 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,1,0,0,0,0|1,0,2]=4 123 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|0,0,2]=3 124 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,0,0,0,0|0,0,2]=3 125 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,0,0,0,0|0,0,2]=3 126 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,0,0,0,0|0,0,2]=3 127 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|0,0,0]=1 128 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,0,0,0,0|0,0,0]=1 129 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,0,0,0,0|0,0,0]=1 130 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,0,0,0,0|0,0,0]=1 131 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,1,0,0,0,0|1,0,1]=3 132 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,1,0,0,0,0|0,0,2]=3 133 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,1,0,0,0,0|0,0,2]=3 134 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,1,0,0,0,0|1,0,1]=3 135 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,1,0,0,0,0|1,0,1]=3 136 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|1,0,0]=2 137 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,0,0,0,0|2,0,0]=3 138 B10R0.4 CSCCCCCNC(=N)S CNP0609535.0 [0,1,0,0,0,0|2,1,0]=4 139 B10R0.4 CSCCCCCNC(=S)N CNP0380600.0 [0,1,0,0,0,0|2,1,0]=4 140 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [0,1,0,0,0,0|2,0,1]=4 141 B10R0.4 C[S@+]([O-])CCCCCCC#N CNP0522618.1 [0,1,0,0,0,0|2,0,1]=4 142 B10R0.4 C[S@H+]([O-])CCCCCCC#N CNP0582396.1 [0,1,0,0,0,0|2,0,1]=4 143 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,0,0,0,0|1,0,0]=2 144 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,0,0,0,0|2,0,0]=3 145 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,0,0,0,0|2,0,0]=3 146 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,0,0,0,0|1,0,0]=2 147 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,0,0,0,0|1,0,0]=2 148 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [0,1,0,0,0,0|1,0,1]=3 149 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,1,0,0,0,0|1,0,1]=3 150 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,1,0,0,0,0|1,0,1]=3 151 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [0,1,0,0,0,0|0,0,3]=4 152 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [0,1,0,0,0,0|1,0,1]=3 153 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [0,1,0,0,0,0|0,0,1]=2 154 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [0,1,0,0,0,0|1,0,0]=2 155 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [0,1,0,0,0,0|1,0,0]=2 156 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [0,1,0,0,0,0|1,0,0]=2 157 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [0,1,0,0,0,0|1,0,2]=4 158 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [0,1,0,0,0,0|1,0,1]=3 159 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [0,1,0,0,0,0|0,0,3]=4 160 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [0,1,0,0,0,0|1,0,2]=4 161 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [0,1,0,0,0,0|0,0,1]=2 162 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,1,0,0,0,0|1,0,2]=4 163 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [0,1,0,0,0,0|0,0,1]=2 164 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [0,1,0,0,0,0|1,0,2]=4 165 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [0,1,0,0,0,0|0,0,3]=4 166 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,1,0,0,0,0|0,0,3]=4 167 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,1,0,0,0,0|0,0,1]=2 168 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [0,1,0,0,0,0|0,0,3]=4 169 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,1,0,0,0,0|0,0,3]=4 170 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [0,1,0,0,0,0|0,0,3]=4 171 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,1,0,0,0,0|0,0,1]=2 172 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,1,0,0,0,0|0,0,2]=3 173 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [0,1,0,0,0,0|0,0,1]=2 174 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [0,1,0,0,0,0|0,0,0]=1 175 B10R0.71 CCCCCCCCCCC CNP0270748.0 [0,1,0,0,0,0|1,0,1]=3 176 B10R0.71 CCCCCCCCCCI CNP0573243.0 [0,1,0,0,0,0|1,0,1]=3 177 B10R0.71 CCCCCCCCCCN CNP0456638.0 [0,1,0,0,0,0|1,0,1]=3 178 B10R0.71 CCCCCCCCCCO CNP0305576.0 [0,1,0,0,0,0|0,0,2]=3 179 B10R0.71 CCCCCCCCCCS CNP0541016.0 [0,1,0,0,0,0|0,1,1]=3 180 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [0,1,0,0,0,0|1,0,1]=3 181 B10R0.71 CCCCCCCCCOC CNP0246631.0 [0,1,0,0,0,0|0,0,2]=3 182 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [0,1,0,0,0,0|0,0,0]=1 183 B10R0.71 CCCCCCCCOCC CNP0319929.0 [0,1,0,0,0,0|1,0,1]=3 184 B10R0.71 CCCCCNCCCCC CNP0450899.0 [0,1,0,0,0,0|1,0,1]=3 185 B10R0.71 CCCCOCCOCCO CNP0079968.0 [0,1,0,0,0,0|1,0,2]=4 186 B10R0.71 CSCCCCCCC#[N+][O-] CNP0571326.0 [0,1,0,0,0,0|1,0,2]=4 187 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [0,1,0,0,0,0|1,0,1]=3 188 B10R0.71 CSCCCCCCCC#N CNP0327429.0 [0,1,0,0,0,0|1,0,1]=3 189 B10R0.71 CSCCCCCCCCN CNP0083876.0 [0,1,0,0,0,0|1,0,1]=3 190 B10R0.71 CSCCCCCCN=C=S CNP0299975.0 [0,1,0,0,0,0|1,1,1]=4 191 B10R0.71 N#CCCCCCCCC#N CNP0245038.0 [0,1,0,0,0,0|1,0,2]=4 192 B10R0.71 NCCCCCNCCCN CNP0335308.0 [0,1,0,0,0,0|2,0,1]=4 193 B10R0.71 NCCCCNCCCCN CNP0224806.0 [0,1,0,0,0,0|2,0,1]=4 194 B10R0.71 OCCCCCCCCCO CNP0496013.0 [0,1,0,0,0,0|0,0,2]=3 195 B10R0.71 SCCCCCCCCCS CNP0323084.0 [0,1,0,0,0,0|0,1,1]=3 196 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [0,1,0,0,0,0|1,0,1]=3 197 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,0,0,0,0|1,0,1]=3 198 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,1,0,0,0,0|1,0,0]=2 199 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [0,1,0,0,0,0|1,0,0]=2 200 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,0,0,0,0|1,0,2]=4 201 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|1,0,2]=4 202 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|2,0,1]=4 203 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,0,0,0,0|1,0,2]=4 204 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|2,0,1]=4 205 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,1,0,0,0,0|2,0,0]=3 206 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,1,0,0,0,0|1,0,1]=3 207 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,1,0,0,0,0|1,0,1]=3 208 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,1,0,0,0,0|1,0,1]=3 209 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,1,0,0,0,0|1,0,1]=3 210 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,1,0,0,0,0|1,0,1]=3 211 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [0,1,0,0,0,0|1,0,0]=2 212 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,1,0,0,0,0|2,0,1]=4 213 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,1,0,0,0,0|2,0,1]=4 214 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,1,0,0,0,0|0,0,3]=4 215 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,1,0,0,0,0|0,0,3]=4 216 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,1,0,0,0,0|0,0,1]=2 217 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,1,0,0,0,0|1,0,2]=4 218 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [0,1,0,0,0,0|1,0,1]=3 219 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [0,1,0,0,0,0|0,0,2]=3 220 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [0,1,0,0,0,0|0,0,2]=3 221 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [0,1,0,0,0,0|1,0,1]=3 222 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [0,1,0,0,0,0|0,0,2]=3 223 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [0,1,0,0,0,0|0,0,2]=3 224 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [0,1,0,0,0,0|0,0,0]=1 225 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [0,0,0,1,0,0|1,0,1]=3 226 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,0,0,1,0,0|1,0,0]=2 227 B10R1.4 CCC[C@@H]1CCCCN1C CNP0256186.1 [0,0,0,1,0,0|2,0,0]=3 228 B10R1.4 CCC[C@H]1CCCCN1C CNP0256186.2 [0,0,0,1,0,0|2,0,0]=3 229 B10R1.4 COCC1CCCC[C@@H]1N CNP0344437.1 [0,0,0,1,0,0|2,0,1]=4 230 B10R1.4 C[C@@H]1COCC[C@@H]1CCO CNP0154189.2 [0,0,0,1,0,0|1,0,2]=4 231 B10R1.4 C[C@@H]1COCC[C@H]1CCO CNP0154189.4 [0,0,0,1,0,0|1,0,2]=4 232 B10R1.4 C[C@H]1COCC[C@@H]1CCO CNP0154189.1 [0,0,0,1,0,0|1,0,2]=4 233 B10R1.4 C[C@H]1COCC[C@H]1CCO CNP0154189.3 [0,0,0,1,0,0|1,0,2]=4 234 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,0,0,1,0,0|1,0,1]=3 235 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,0,0,1,0,0|1,0,1]=3 236 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [0,0,0,1,0,0|1,0,2]=4 237 B10R1.17 CCCCC1=NCCCC1 CNP0257195.0 [0,0,0,1,0,0|1,0,2]=4 238 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [0,0,0,1,0,0|1,0,1]=3 239 B10R1.17 CCCCN1CCCCC1 CNP0144068.0 [0,0,0,1,0,0|2,0,1]=4 240 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [0,0,0,1,0,0|0,0,0]=1 241 B10R1.20 COC1CCCCC1OC CNP0612215.0 [0,0,0,1,0,0|3,0,0]=4 242 B10R1.20 O=CN1CCCCC1CO CNP0303118.0 [0,0,0,1,0,0|2,0,0]=3 243 B10R1.21 C=CCCC=C1CCCC1 CNP0519734.0 [0,0,0,1,0,0|1,0,2]=4 244 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [0,0,0,1,0,0|1,0,1]=3 245 B10R1.21 CCCCCC1NCCS1 CNP0234327.0 [0,0,0,1,0,0|1,1,1]=4 246 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,0,0,1,0,0|1,0,2]=4 247 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,0,0,1,0,0|1,0,0]=2 248 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|0,0,2]=3 249 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|0,0,0]=1 250 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [0,0,0,1,0,0|0,0,2]=3 251 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [0,0,0,1,0,0|1,0,0]=2 252 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [0,0,0,1,0,0|1,0,1]=3 253 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|0,0,1]=3 254 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|1,0,1]=4 255 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|0,0,2]=4 256 B7R0.1 CCC#CCCCC CNP0602501.0 [2,0,0,0,0,0|0,0,2]=4 257 B7R0.1 CCC=CCCC=O CNP0265888.0 [2,0,0,0,0,0|0,0,2]=4 258 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|0,0,2]=4 259 B7R0.1 CCCC#CCCC CNP0381743.0 [2,0,0,0,0,0|0,0,2]=4 260 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|0,0,2]=4 261 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|0,0,2]=4 262 B7R0.1 CCCCC=CC=O CNP0210810.0 [2,0,0,0,0,0|0,0,2]=4 263 B7R0.1 CCCCCCC#N CNP0186663.0 [2,0,0,0,0,0|1,0,1]=4 264 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,0]=2 265 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,0]=2 266 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,0]=3 267 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|0,0,1]=3 268 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|1,0,0]=3 269 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|1,0,0]=3 270 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|1,0,0]=3 271 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|2,0,0]=4 272 B7R0.1 CCCCCSSC CNP0201479.0 [2,0,0,0,0,0|2,0,0]=4 273 B7R0.1 CCCCNCCO CNP0185911.0 [2,0,0,0,0,0|1,0,1]=4 274 B7R0.1 CCCCOCCO CNP0080154.0 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.1 CCCSSCCC CNP0328321.0 [2,0,0,0,0,0|2,0,0]=4 276 B7R0.1 CCNCCCCN CNP0107714.0 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.1 CCNCCNCC CNP0103183.0 [2,0,0,0,0,0|2,0,0]=4 278 B7R0.1 CNCCCCCN CNP0390055.0 [2,0,0,0,0,0|2,0,0]=4 279 B7R0.1 CNCCCCNC CNP0145070.0 [2,0,0,0,0,0|2,0,0]=4 280 B7R0.1 NCCCCCCN CNP0230906.0 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.1 NCCCCCCO CNP0568466.0 [2,0,0,0,0,0|1,0,1]=4 282 B7R0.1 OCCCCCCBr CNP0593386.0 [2,0,0,0,0,0|1,0,1]=4 283 B7R0.1 OCCCCCCO CNP0080019.0 [2,0,0,0,0,0|1,0,1]=4 284 B7R0.1 OCCCCCCS CNP0154751.0 [2,0,0,0,0,0|1,0,1]=4 285 B7R0.1 SCCCCCCS CNP0089642.0 [2,0,0,0,0,0|1,1,0]=4 286 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,1,0,0,0,0|0,0,2]=4 287 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,1,0,0,0,0|1,0,0]=3 288 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,1,0,0,0,0|2,0,0]=4 289 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [1,1,0,0,0,0|0,0,0]=2 290 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [1,1,0,0,0,0|0,0,2]=4 291 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,1,0,0,0,0|0,0,2]=4 292 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [1,1,0,0,0,0|0,0,2]=4 293 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [1,1,0,0,0,0|0,0,2]=4 294 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,1,0,0,0,0|0,0,2]=4 295 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,1,0,0,0,0|0,0,2]=4 296 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,1,0,0,0,0|0,0,0]=2 297 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,1,0,0,0,0|0,0,0]=2 298 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,1,0,0,0,0|0,0,0]=2 299 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,1,0,0,0,0|0,0,0]=2 300 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,1,0,0,0,0|0,0,0]=2 301 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,1,0,0,0,0|0,0,0]=2 302 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,1,0,0,0,0|0,0,0]=2 303 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,1,0,0,0,0|0,0,0]=2 304 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,1,0,0,0,0|0,0,0]=2 305 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,1,0,0,0,0|0,0,0]=2 306 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,1,0,0,0,0|0,0,1]=3 307 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,1,0,0,0,0|0,0,1]=3 308 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,1,0,0,0,0|0,0,1]=3 309 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,1,0,0,0,0|1,0,0]=3 310 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [1,1,0,0,0,0|1,0,0]=3 311 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,1,0,0,0,0|1,0,0]=3 312 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,1,0,0,0,0|1,0,0]=3 313 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [1,1,0,0,0,0|2,0,0]=4 314 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,1,0,0,0,0|1,0,0]=3 315 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,1,0,0,0,0|0,0,2]=4 316 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [1,1,0,0,0,0|0,0,1]=3 317 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|0,0,1]=3 318 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,1,0,0,0,0|0,0,2]=4 319 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,1,0,0,0,0|0,0,2]=4 320 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|0,0,0]=2 321 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|0,0,0]=2 322 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,1,0,0,0,0|0,0,1]=3 323 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [1,1,0,0,0,0|1,0,0]=3 324 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [1,1,0,0,0,0|0,0,1]=3 326 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [1,1,0,0,0,0|0,0,1]=3 327 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,1,0,0,0,0|0,0,2]=4 328 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,1,0,0,0,0|0,0,2]=4 331 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,1,0,0,0,0|0,0,2]=4 332 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,1,0,0,0,0|0,0,1]=3 333 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [1,1,0,0,0,0|1,0,1]=4 334 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,1,0,0,0,0|0,0,1]=3 335 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [1,1,0,0,0,0|1,0,1]=4 336 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [1,1,0,0,0,0|0,0,2]=4 337 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,1,0,0,0,0|0,0,2]=4 338 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|0,0,0]=2 339 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [1,1,0,0,0,0|0,0,1]=3 340 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [1,1,0,0,0,0|2,0,0]=4 341 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|0,0,1]=3 342 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,1,0,0,0,0|0,0,1]=3 343 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [1,1,0,0,0,0|0,0,1]=3 344 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,1,0,0,0,0|1,0,1]=4 345 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,1,0,0,0,0|0,0,1]=3 346 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [1,1,0,0,0,0|2,0,0]=4 347 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [1,1,0,0,0,0|0,0,1]=3 348 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [0,2,0,0,0,0|0,0,2]=4 349 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [0,2,0,0,0,0|0,0,2]=4 350 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,2,0,0,0,0|0,0,2]=4 351 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [0,2,0,0,0,0|1,0,1]=4 352 B11R0.2 CCCCCCC(C)CC(C)C CNP0576324.0 [0,2,0,0,0,0|1,0,1]=4 353 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,2,0,0,0,0|0,0,0]=2 354 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,2,0,0,0,0|1,0,0]=3 355 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,2,0,0,0,0|0,0,0]=2 356 B11R0.4 C=CCCCCCC(C)CCC CNP0085749.0 [0,2,0,0,0,0|1,0,0]=3 357 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [0,2,0,0,0,0|1,0,0]=3 358 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,2,0,0,0,0|1,0,1]=4 359 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [0,2,0,0,0,0|1,0,1]=4 360 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [0,2,0,0,0,0|1,0,1]=4 361 B11R0.5 CCCCC(C)CC(C)CCC CNP0574073.0 [0,2,0,0,0,0|1,0,1]=4 362 B11R0.81 C=CCCCCC(C)CCCC CNP0518967.0 [0,2,0,0,0,0|1,0,0]=3 363 B11R0.81 C=CCOC(=O)CCCCCC CNP0085340.0 [0,2,0,0,0,0|1,0,1]=4 364 B11R0.81 CC=CCC(C)CCCCCC CNP0482426.0 [0,2,0,0,0,0|1,0,0]=3 365 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,2,0,0,0,0|0,0,0]=2 366 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [0,2,0,0,0,0|1,0,1]=4 367 B11R0.161 CCCCCCC(CC)CCC CNP0593745.0 [0,2,0,0,0,0|1,0,1]=4 368 B11R0.174 CCCC(C)CCCC(C)CC CNP0076780.0 [0,2,0,0,0,0|1,0,1]=4 369 B11R0.174 CCCC(C)CCCC(C)CO CNP0041473.0 [0,2,0,0,0,0|0,0,2]=4 370 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [0,2,0,0,0,0|0,0,2]=4 371 B11R0.176 NC(=O)CCCC[C@@H](S)CCS CNP0083595.1 [0,2,0,0,0,0|1,0,0]=3 372 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [0,2,0,0,0,0|1,0,0]=3 373 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,2,0,0,0,0|0,0,0]=2 374 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [0,2,0,0,0,0|1,0,1]=4 375 B11R0.30 CC(C)C=CCCCCC(=O)N CNP0507586.0 [0,2,0,0,0,0|0,0,2]=4 376 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [0,2,0,0,0,0|0,0,2]=4 377 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,2,0,0,0,0|0,0,0]=2 378 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [0,2,0,0,0,0|0,0,0]=2 379 B11R0.30 CC(C)CCCCCCC(C)C CNP0502165.0 [0,2,0,0,0,0|1,0,1]=4 380 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,2,0,0,0,0|0,0,0]=2 381 B11R0.30 NC(=O)CCCCCCC(=O)N CNP0230952.0 [0,2,0,0,0,0|1,0,1]=4 382 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [0,2,0,0,0,0|1,0,1]=4 383 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl CNP0257088.0 [0,2,0,0,0,0|1,0,1]=4 384 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [0,2,0,0,0,0|1,0,1]=4 385 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [0,2,0,0,0,0|1,0,1]=4 386 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,2,0,0,0,0|0,0,2]=4 387 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,2,0,0,0,0|0,0,2]=4 388 B11R0.40 C/C=C/CCCCC[C@H](C)CC CNP0099624.1 [0,2,0,0,0,0|1,0,0]=3 389 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,2,0,0,0,0|1,0,0]=3 390 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,2,0,0,0,0|0,0,0]=2 391 B11R0.40 C=C[C@@H](O)C/C=C/CCCCC CNP0262643.1 [0,2,0,0,0,0|1,0,1]=4 392 B11R0.40 C=C[C@@H](O)C/C=C\CCCCC CNP0262643.2 [0,2,0,0,0,0|1,0,1]=4 393 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,2,0,0,0,0|1,0,0]=3 394 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,2,0,0,0,0|0,0,2]=4 395 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,2,0,0,0,0|0,0,2]=4 396 B11R0.40 CCC=CCCCCC(C)CC CNP0546883.0 [0,2,0,0,0,0|1,0,1]=4 397 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,2,0,0,0,0|0,0,2]=4 398 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,2,0,0,0,0|0,0,2]=4 399 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,2,0,0,0,0|0,0,2]=4 400 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,2,0,0,0,0|0,0,2]=4 401 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,2,0,0,0,0|0,0,0]=2 402 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,2,0,0,0,0|0,0,0]=2 403 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,2,0,0,0,0|0,0,2]=4 404 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,2,0,0,0,0|0,0,2]=4 405 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [0,2,0,0,0,0|1,0,1]=4 406 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,2,0,0,0,0|1,0,0]=3 407 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,2,0,0,0,0|1,0,0]=3 408 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [0,2,0,0,0,0|0,0,2]=4 409 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [0,2,0,0,0,0|0,0,2]=4 410 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,2,0,0,0,0|0,0,2]=4 411 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,2,0,0,0,0|0,0,0]=2 412 B11R0.42 CCCCCCCC(C)C(C)C CNP0351892.0 [0,2,0,0,0,0|1,0,1]=4 413 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,2,0,0,0,0|0,0,0]=2 414 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,2,0,0,0,0|0,0,0]=2 415 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,2,0,0,0,0|0,0,0]=2 416 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,2,0,0,0,0|0,0,0]=2 417 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,2,0,0,0,0|1,0,1]=4 418 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,2,0,0,0,0|1,0,0]=3 419 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,2,0,0,0,0|1,0,0]=3 420 B11R0.42 NCCCNCC[C@H](N)C(=O)O CNP0485831.1 [0,2,0,0,0,0|2,0,0]=4 421 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|0,0,1]=3 422 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,2,0,0,0,0|0,0,1]=3 423 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [0,2,0,0,0,0|1,0,1]=4 424 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,2,0,0,0,0|0,0,0]=2 425 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,2,0,0,0,0|0,0,2]=4 426 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,2,0,0,0,0|0,0,2]=4 427 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,2,0,0,0,0|0,0,2]=4 428 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,2,0,0,0,0|0,0,2]=4 429 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,2,0,0,0,0|0,0,2]=4 430 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,2,0,0,0,0|1,0,1]=4 431 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [0,2,0,0,0,0|1,0,1]=4 432 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [0,2,0,0,0,0|2,0,0]=4 433 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [0,2,0,0,0,0|0,0,2]=4 434 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [0,2,0,0,0,0|0,0,2]=4 435 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [0,2,0,0,0,0|0,0,2]=4 436 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,2,0,0,0,0|0,0,0]=2 437 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,2,0,0,0,0|1,0,1]=4 438 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [0,2,0,0,0,0|2,0,0]=4 439 B11R0.147 CC(C)CCCC(C)CCCO CNP0568830.0 [0,2,0,0,0,0|0,0,2]=4 440 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,2,0,0,0,0|1,0,0]=3 441 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,2,0,0,0,0|0,0,0]=2 442 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,2,0,0,0,0|0,0,1]=3 443 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [0,2,0,0,0,0|1,0,1]=4 444 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,2,0,0,0,0|0,0,1]=3 445 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,2,0,0,0,0|0,0,1]=3 446 B11R0.148 C=CCCCCCCCC(C)C CNP0591063.0 [0,2,0,0,0,0|1,0,0]=3 447 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,2,0,0,0,0|1,0,0]=3 448 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,2,0,0,0,0|0,0,1]=3 449 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|0,0,1]=3 450 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,2,0,0,0,0|0,0,2]=4 451 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|0,0,1]=3 452 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,2,0,0,0,0|0,0,1]=3 453 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,2,0,0,0,0|0,0,1]=3 454 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,2,0,0,0,0|0,0,2]=4 455 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,2,0,0,0,0|0,0,1]=3 456 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,2,0,0,0,0|0,0,1]=3 457 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,2,0,0,0,0|0,0,2]=4 458 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,2,0,0,0,0|0,0,1]=3 459 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,2,0,0,0,0|0,0,2]=4 460 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,2,0,0,0,0|0,0,1]=3 461 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,2,0,0,0,0|0,0,1]=3 462 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,2,0,0,0,0|0,0,1]=3 463 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,2,0,0,0,0|1,0,0]=3 464 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,2,0,0,0,0|0,0,0]=2 465 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,2,0,0,0,0|0,0,0]=2 466 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,2,0,0,0,0|0,0,0]=2 467 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,2,0,0,0,0|0,0,0]=2 468 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,2,0,0,0,0|0,0,0]=2 469 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,2,0,0,0,0|0,0,0]=2 470 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,2,0,0,0,0|0,0,0]=2 471 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,2,0,0,0,0|0,0,0]=2 472 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,2,0,0,0,0|0,0,0]=2 473 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,2,0,0,0,0|0,0,0]=2 474 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [0,2,0,0,0,0|1,0,1]=4 475 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,2,0,0,0,0|0,0,2]=4 476 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,2,0,0,0,0|0,0,2]=4 477 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,2,0,0,0,0|0,0,0]=2 478 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,2,0,0,0,0|0,0,0]=2 479 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,2,0,0,0,0|0,0,0]=2 480 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,2,0,0,0,0|1,0,0]=3 481 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,2,0,0,0,0|0,0,0]=2 482 B11R0.148 CSCCCCCCNC(=N)S CNP0610239.0 [0,2,0,0,0,0|1,1,0]=4 483 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,2,0,0,0,0|1,0,0]=3 484 B11R0.148 CSCCCCCCNC(=S)N CNP0104929.0 [0,2,0,0,0,0|1,1,0]=4 485 B11R0.148 C[S+]([O-])CCCCCCCCN CNP0583267.0 [0,2,0,0,0,0|1,0,1]=4 486 B11R0.148 C[S@+]([O-])CCCCCCCC#N CNP0570120.1 [0,2,0,0,0,0|1,0,1]=4 487 B11R0.148 C[S@+]([O-])CCCCCCCC=N CNP0478957.1 [0,2,0,0,0,0|1,0,0]=3 488 B11R0.148 C[S@H+]([O-])CCCCCCCC#N CNP0479647.1 [0,2,0,0,0,0|1,0,1]=4 489 B11R0.148 C[S@H+]([O-])CCCCCCCC=N CNP0504595.1 [0,2,0,0,0,0|1,0,0]=3 490 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,2,0,0,0,0|0,0,0]=2 491 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,2,0,0,0,0|0,0,1]=3 492 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [0,2,0,0,0,0|1,0,0]=3 493 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [0,2,0,0,0,0|1,0,1]=4 494 B11R0.3 C#CCCCCCCCCCO CNP0539400.0 [0,2,0,0,0,0|0,0,2]=4 495 B11R0.3 C=CC#CCCCCCCCC CNP0570139.0 [0,2,0,0,0,0|1,0,0]=3 496 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [0,2,0,0,0,0|0,0,2]=4 497 B11R0.3 C=CCCCCCCCCC=C CNP0256056.0 [0,2,0,0,0,0|1,0,0]=3 498 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [0,2,0,0,0,0|0,0,0]=2 499 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [0,2,0,0,0,0|1,0,0]=3 500 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [0,2,0,0,0,0|1,0,0]=3 501 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [0,2,0,0,0,0|1,0,0]=3 502 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [0,2,0,0,0,0|1,0,1]=4 503 B11R0.3 CC=CCCCCCCC=CC CNP0508194.0 [0,2,0,0,0,0|1,0,1]=4 504 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [0,2,0,0,0,0|0,0,0]=2 505 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [0,2,0,0,0,0|1,0,0]=3 506 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [0,2,0,0,0,0|1,0,0]=3 507 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [0,2,0,0,0,0|1,0,0]=3 508 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [0,2,0,0,0,0|0,0,2]=4 509 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [0,2,0,0,0,0|0,0,2]=4 510 B11R0.3 CCCCCC=CCCCCC CNP0563337.0 [0,2,0,0,0,0|1,0,1]=4 511 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [0,2,0,0,0,0|0,0,2]=4 512 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [0,2,0,0,0,0|0,0,0]=2 513 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [0,2,0,0,0,0|0,0,0]=2 514 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [0,2,0,0,0,0|0,0,1]=3 515 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [0,2,0,0,0,0|1,0,0]=3 516 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [0,2,0,0,0,0|0,0,0]=2 517 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [0,2,0,0,0,0|1,0,1]=4 518 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [0,2,0,0,0,0|0,0,2]=4 519 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [0,2,0,0,0,0|1,0,1]=4 520 B11R0.3 CCCCCCCCCCON CNP0565549.0 [0,2,0,0,0,0|0,0,2]=4 521 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [0,2,0,0,0,0|0,0,2]=4 522 B11R0.3 CCCCCSSCCCCC CNP0314925.0 [0,2,0,0,0,0|1,0,1]=4 523 B11R0.3 CCCCOCCOCCCC CNP0542178.0 [0,2,0,0,0,0|1,0,1]=4 524 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [0,2,0,0,0,0|0,0,1]=3 525 B11R0.3 CSCCCCCCCCC#N CNP0286392.0 [0,2,0,0,0,0|1,0,1]=4 526 B11R0.3 CSCCCCCCCN=C=S CNP0199024.0 [0,2,0,0,0,0|0,1,1]=4 527 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [0,2,0,0,0,0|0,0,0]=2 528 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [0,2,0,0,0,0|0,0,2]=4 529 B11R0.3 OCCCCCCCCNCO CNP0481493.0 [0,2,0,0,0,0|0,0,2]=4 530 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [0,2,0,0,0,0|1,0,1]=4 531 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [0,2,0,0,0,0|1,0,1]=4 532 B11R0.140 CCCCCC(=O)CCCCC CNP0003552.0 [0,2,0,0,0,0|1,0,1]=4 533 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [0,2,0,0,0,0|1,0,1]=4 534 B11R0.49 CCCCCCCC(C)(C)CO CNP0350508.0 [0,2,0,0,0,0|0,0,2]=4 535 B11R0.70 CCCCC(C)CCC(C)CC CNP0547533.0 [0,2,0,0,0,0|1,0,1]=4 536 B11R0.106 CCC(C)CCCCC(C)CC CNP0584422.0 [0,2,0,0,0,0|1,0,1]=4 537 B11R0.124 CCCCCCCC(OC)OC CNP0398698.0 [0,2,0,0,0,0|2,0,0]=4 538 B11R0.154 CCCCCC(O)CC(O)CC CNP0502032.0 [0,2,0,0,0,0|1,0,1]=4 539 B11R0.152 CCCCCC(CC)CCCC CNP0573841.0 [0,2,0,0,0,0|1,0,1]=4 540 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,0]=2 541 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|1,0,0]=3 542 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,0,0,1,0,0|2,0,0]=4 543 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,1,0,0|0,0,1]=3 544 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [1,0,0,1,0,0|1,0,1]=4 545 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,1,0,0|0,0,1]=3 546 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,1,0,0|1,0,1]=4 547 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,1,0,0|0,0,1]=3 548 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [1,0,0,1,0,0|1,0,1]=4 549 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [1,0,0,1,0,0|1,0,0]=3 550 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [1,0,0,1,0,0|1,0,0]=3 551 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [1,0,0,1,0,0|1,0,0]=3 552 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [1,0,0,1,0,0|2,0,0]=4 553 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,0,0,1,0,0|1,0,0]=3 554 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,1,0,0|1,0,0]=3 555 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [1,0,0,1,0,0|1,0,1]=4 556 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [1,0,0,1,0,0|1,0,1]=4 557 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [1,0,0,1,0,0|1,0,1]=4 558 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [1,0,0,1,0,0|1,0,1]=4 559 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,1,0,0|0,0,1]=3 560 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [1,0,0,1,0,0|1,1,0]=4 561 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,0,0,1,0,0|1,0,1]=4 562 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|0,0,1]=3 563 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [1,0,0,1,0,0|1,0,1]=4 564 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [1,0,0,1,0,0|0,0,0]=2 565 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [1,0,0,1,0,0|0,0,2]=4 566 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [1,0,0,1,0,0|0,0,0]=2 567 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|0,0,0]=2 568 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [1,0,0,1,0,0|0,0,1]=3 569 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|1,0,0]=3 570 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|1,0,0]=3 571 B9R1.15 O=C1COCCC1CO CNP0612158.0 [1,0,0,1,0,0|2,0,0]=4 572 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|0,0,1]=3 573 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [1,0,0,1,0,0|0,1,0]=3 574 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [1,0,0,1,0,0|0,0,1]=3 575 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|0,0,0]=2 576 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [1,0,0,1,0,0|1,0,1]=4 577 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [1,0,0,1,0,0|0,0,1]=3 578 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [0,1,0,1,0,0|1,0,1]=4 579 B11R1.16 CNCC(C)C1CCCCC1 CNP0279026.0 [0,1,0,1,0,0|2,0,0]=4 580 B11R1.16 C[C@H](N=C=O)C1CCCCC1 CNP0530844.1 [0,1,0,1,0,0|1,0,1]=4 581 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,1,0,0|0,0,0]=2 582 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,1,0,0|1,0,0]=3 583 B11R1.81 CCC[C@H]1CCC(CN1C)O CNP0258006.3 [0,1,0,1,0,0|2,0,0]=4 584 B11R1.81 CCC[C@H]1CC[C@@H](CN1C)O CNP0258006.1 [0,1,0,1,0,0|2,0,0]=4 585 B11R1.81 CCC[C@H]1CC[C@H](CN1C)O CNP0258006.2 [0,1,0,1,0,0|2,0,0]=4 586 B11R1.81 CCC[C@H]1CC[C@H](C[C@H]1O)C CNP0095708.1 [0,1,0,1,0,0|0,0,2]=4 587 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [0,1,0,1,0,0|1,0,1]=4 588 B11R1.101 C[C@@H]1CCCCCCCNC1 CNP0435621.1 [0,1,0,1,0,0|1,0,1]=4 589 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,2]=4 590 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,1,0,1,0,0|0,0,2]=4 591 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [0,1,0,1,0,0|0,0,2]=4 592 B11R1.101 PN1CCCCCNCCC1 CNP0213526.0 [0,1,0,1,0,0|2,0,0]=4 593 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,1,0,1,0,0|0,0,1]=3 594 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,1,0,1,0,0|0,0,0]=2 595 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,1,0,0|0,0,0]=2 596 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,1,0,1,0,0|0,0,1]=3 597 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,1,0,1,0,0|0,0,1]=3 598 B11R1.229 C=C[C@@H]1C[C@@H]1/C=C/CCCC CNP0182947.5 [0,1,0,1,0,0|1,0,1]=4 599 B11R1.229 C=C[C@@H]1C[C@H]1/C=C/CCCC CNP0182947.6 [0,1,0,1,0,0|1,0,1]=4 600 B11R1.229 C=C[C@@H]1C[C@H]1/C=C\CCCC CNP0182947.4 [0,1,0,1,0,0|1,0,1]=4 601 B11R1.229 C=C[C@H]1C[C@@H]1/C=C/CCCC CNP0182947.1 [0,1,0,1,0,0|1,0,1]=4 602 B11R1.229 C=C[C@H]1C[C@@H]1/C=C\CCCC CNP0182947.2 [0,1,0,1,0,0|1,0,1]=4 603 B11R1.229 C=C[C@H]1C[C@H]1/C=C\CCCC CNP0182947.3 [0,1,0,1,0,0|1,0,1]=4 604 B11R1.774 O=C1CCCC[C@@]1(O)CCO CNP0106385.1 [0,1,0,1,0,0|1,0,0]=3 605 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,1,0,1,0,0|0,0,2]=4 606 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,1,0,1,0,0|0,0,2]=4 607 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,1,0,1,0,0|0,0,2]=4 608 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|0,0,0]=2 609 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|0,0,0]=2 610 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,1,0,1,0,0|0,0,2]=4 611 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [0,1,0,1,0,0|1,0,1]=4 612 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,1,0,1,0,0|1,0,0]=3 613 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,1,0,1,0,0|1,0,0]=3 614 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,1,0,1,0,0|2,0,0]=4 615 B11R1.86 CC(C)C=C1CCCCC1=O CNP0492949.0 [0,1,0,1,0,0|0,0,2]=4 616 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,1,0,1,0,0|0,0,2]=4 617 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C CNP0332204.2 [0,1,0,1,0,0|2,0,0]=4 618 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C CNP0332204.1 [0,1,0,1,0,0|2,0,0]=4 619 B11R1.91 NC(=O)CC[C@@H]1COCCO1 CNP0061677.2 [0,1,0,1,0,0|2,0,0]=4 620 B11R1.91 NC(=O)CC[C@H]1COCCO1 CNP0061677.1 [0,1,0,1,0,0|2,0,0]=4 621 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,1,0,1,0,0|0,0,0]=2 622 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [0,1,0,1,0,0|2,0,0]=4 623 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [0,1,0,1,0,0|2,0,0]=4 624 B11R1.99 CCCCCCCCC1CC1 CNP0611993.0 [0,1,0,1,0,0|1,0,1]=4 625 B11R1.143 CN(C)[C@@H]1CCCCNC1=O CNP0362039.1 [0,1,0,1,0,0|2,0,0]=4 626 B11R1.191 CCC[C@@H]1CCCC[N+]1(C)C CNP0422167.1 [0,1,0,1,0,0|2,0,0]=4 627 B11R1.191 CCC[C@H]1CCCC[N+]1(C)C CNP0422167.2 [0,1,0,1,0,0|2,0,0]=4 628 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [0,1,0,1,0,0|2,0,0]=4 629 B11R1.706 C=C(C)C1C=CCCCCC1 CNP0507387.0 [0,1,0,1,0,0|1,0,1]=4 630 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,1,0,1,0,0|0,0,2]=4 631 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,1,0,1,0,0|0,0,2]=4 632 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,1,0,1,0,0|0,0,0]=2 633 B11R1.17 CC#CC[C@H]1CCCCC1=O CNP0076380.1 [0,1,0,1,0,0|0,0,1]=3 634 B11R1.17 CC=CCC1CCCCC1=O CNP0520836.0 [0,1,0,1,0,0|0,0,1]=3 635 B11R1.17 CCNC=C1CCCCC1=O CNP0145902.0 [0,1,0,1,0,0|0,0,2]=4 636 B11R1.17 N#CCC[C@@H]1CCCCC1=O CNP0389654.1 [0,1,0,1,0,0|0,0,1]=3 637 B11R1.17 N#CCC[C@H]1CCCCC1=O CNP0389654.2 [0,1,0,1,0,0|0,0,1]=3 638 B11R1.18 C=C[C@@H]1CC=C[C@@H]1CCCC CNP0288194.2 [0,1,0,1,0,0|1,0,1]=4 639 B11R1.18 C=C[C@@H]1CCC[C@@H]1/C=C/CC CNP0336549.1 [0,1,0,1,0,0|1,0,1]=4 640 B11R1.18 C=C[C@@H]1CCC[C@@H]1/C=C\CC CNP0336549.2 [0,1,0,1,0,0|1,0,1]=4 641 B11R1.18 C=C[C@H]1CC=C[C@@H]1CCCC CNP0288194.3 [0,1,0,1,0,0|1,0,1]=4 642 B11R1.18 C=C[C@H]1CC=C[C@H]1CCCC CNP0288194.1 [0,1,0,1,0,0|1,0,1]=4 643 B11R1.18 CCCCC1CCCC1CC CNP0603151.0 [0,1,0,1,0,0|1,0,1]=4 644 B11R1.28 C=CCCCC1=NCCCC1 CNP0217788.0 [0,1,0,1,0,0|1,0,1]=4 645 B11R1.28 C=CCCCC1SCCCS1 CNP0342525.0 [0,1,0,1,0,0|2,0,0]=4 646 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [0,1,0,1,0,0|1,0,1]=4 647 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [0,1,0,1,0,0|1,0,1]=4 648 B11R1.28 CCCCCC1=NCCCC1 CNP0532846.0 [0,1,0,1,0,0|1,0,1]=4 649 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [0,1,0,1,0,0|1,0,1]=4 650 B11R1.28 CCCCCC1CCCCN1 CNP0582623.0 [0,1,0,1,0,0|1,0,1]=4 651 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [0,1,0,1,0,0|1,0,1]=4 652 B11R1.28 O=CCCCC1CCNCC1 CNP0601651.0 [0,1,0,1,0,0|0,0,0]=2 653 B11R1.41 CCCC1CCCCC1CC CNP0083068.0 [0,1,0,1,0,0|1,0,1]=4 654 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,1,0,1,0,0|0,0,1]=3 655 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [0,1,0,1,0,0|1,0,0]=3 656 B11R1.92 C1CCCCCCCCCC1 CNP0508104.0 [0,1,0,1,0,0|1,0,1]=4 657 B11R1.203 CCCCC1=NCCCCC1 CNP0427788.0 [0,1,0,1,0,0|1,0,1]=4 658 B11R1.203 CCCC[C@@H]1C=CCC=CC1 CNP0118710.2 [0,1,0,1,0,0|1,0,1]=4 659 B11R1.203 CCCC[C@H]1C=CCC=CC1 CNP0118710.1 [0,1,0,1,0,0|1,0,1]=4 660 B11R1.216 CCCCC1OC1C=CC=O CNP0451986.0 [0,1,0,1,0,0|0,0,2]=4 661 B11R1.40 CC[C@@H](O)C[C@@H]1CCCCN1 CNP0267069.1 [0,1,0,1,0,0|1,0,1]=4 662 B11R1.40 CC[C@H](O)C[C@H]1CCCCN1 CNP0267069.2 [0,1,0,1,0,0|1,0,1]=4 663 B11R1.40 CNC(C)CC1CCCCC1 CNP0071281.0 [0,1,0,1,0,0|2,0,0]=4 664 B11R1.40 N[C@H](CO)CC1CCCCC1 CNP0508776.1 [0,1,0,1,0,0|0,0,2]=4 665 B11R1.222 CCC(C)C1CCCCC1=O CNP0002485.0 [0,1,0,1,0,0|0,0,0]=2 666 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|1,0,0]=3 667 B11R2.20 C1CCC2=C(C1)CCCC2 CNP0246589.0 [0,0,0,2,0,0|1,0,1]=4 668 B11R2.20 C1CC[C@@H]2NCCC[C@H]2C1 CNP0425638.1 [0,0,0,2,0,0|1,0,1]=4 669 B11R2.20 C1CC[C@H]2CCCC[C@@H]2C1 CNP0397862.1 [0,0,0,2,0,0|1,0,1]=4 670 B11R2.20 C1CC[C@H]2NCCC[C@H]2C1 CNP0425638.2 [0,0,0,2,0,0|1,0,1]=4 671 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,2,0,0|0,0,2]=4 672 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|0,0,2]=4 673 B11R2.81 CCOC1C=CC2C1CC2 CNP0076392.0 [0,0,0,2,0,0|2,0,0]=4 674 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,2,0,0|1,0,0]=3 675 B11R2.350 CC=CC1C2C1C(=O)CC2 CNP0611323.0 [0,0,0,2,0,0|0,0,2]=4