0 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,0,0,0,0,0|0,0,4]=4 7 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,0,0,0,0,0|0,0,2]=2 9 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,0,0,0,0,0|0,0,2]=2 11 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,0,0,0,0,0|0,0,0]=0 14 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,0,0,0,0,0|1,0,1]=2 20 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,0,0,0,0,0|0,0,2]=3 22 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,0,0,0,0,0|0,0,0]=1 26 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,0,0,0,0,0|1,0,2]=4 28 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,0,0,0,0,0|1,0,1]=3 31 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,0,0,0,0,0|1,0,0]=2 32 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,0,0,0,0,0|1,0,0]=2 33 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|1,0,2]=4 39 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,0,0,0,0,0|1,0,1]=3 44 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|0,0,1]=2 55 B8R0.4 CCCCCCSSC CNP0510251.0 [1,0,0,0,0,0|1,1,1]=4 56 B8R0.4 CCCCNCCCC CNP0203128.0 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.4 CCCCOCCCC CNP0077266.0 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.4 CCCCSCCCC CNP0370059.0 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.4 CCCCSSCCC CNP0003137.0 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.4 CCNCCCNCC CNP0239670.0 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.4 CCOCCOCCO CNP0079970.0 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,0,0,0,0,0|0,0,2]=3 63 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,0,0,0,0,0|0,0,2]=3 65 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,0,0,0,0,0|0,0,2]=3 66 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,0,0,0,0,0|0,0,2]=3 67 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,0,0,0,0,0|0,0,2]=3 68 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,0,0,0,0,0|0,0,0]=1 70 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,0,0,0,0,0|1,0,0]=2 71 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,0,0,0,0|0,0,0]=1 72 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,0,0,0,0,0|0,1,0]=2 73 B8R0.6 CCCCCC(S)SC CNP0002612.0 [1,0,0,0,0,0|0,2,1]=4 74 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,0,0,0,0,0|0,0,2]=3 75 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,0,0,0,0,0|1,0,1]=3 76 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,0,0,0,0,0|0,0,2]=3 77 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [1,0,0,0,0,0|1,0,2]=4 78 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,0,0,0,0,0|1,0,0]=2 79 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [1,0,0,0,0,0|1,0,2]=4 81 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,0,0,0,0,0|1,0,0]=2 84 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,0,0,0,0,0|1,0,0]=2 85 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,1,0,0,0,0|1,0,2]=4 86 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,1,0,0,0,0|0,0,1]=2 87 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,0,0,0,0|1,0,0]=2 88 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,1,0,0,0,0|2,0,0]=3 89 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,1,0,0,0,0|2,0,0]=3 90 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,1,0,0,0,0|1,0,2]=4 91 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,1,0,0,0,0|0,0,1]=2 92 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,1,0,0,0,0|2,0,0]=3 93 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,1,0,0,0,0|0,0,0]=1 94 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,1,0,0,0,0|1,0,2]=4 95 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,1,0,0,0,0|2,0,1]=4 96 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,1,0,0,0,0|1,0,0]=2 97 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,1,0,0,0,0|1,0,1]=3 98 B10R0.1 CCCN(N)CCCCCN CNP0546326.0 [0,1,0,0,0,0|3,0,0]=4 99 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,1,0,0,0,0|0,0,0]=1 100 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,1,0,0,0,0|0,0,1]=2 101 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,1,0,0,0,0|2,0,1]=4 102 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,1,0,0,0,0|2,0,0]=3 103 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,1,0,0,0,0|0,0,0]=1 104 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,1,0,0,0,0|1,0,1]=3 105 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,1,0,0,0,0|2,0,1]=4 106 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,1,0,0,0,0|3,0,0]=4 108 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [0,1,0,0,0,0|3,0,0]=4 109 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,0|2,0,1]=4 110 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,1,0,0,0,0|2,0,0]=3 111 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,1,0,0,0,0|0,0,2]=3 113 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|0,0,1]=2 114 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,1,0,0,0,0|0,0,0]=1 115 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,1,0,0,0,0|0,0,0]=1 116 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,1,0,0,0,0|3,0,0]=4 117 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,1,0,0,0,0|1,0,1]=3 118 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,1,0,0,0,0|0,0,0]=1 120 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,1,0,0,0,0|2,0,0]=3 123 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,1,0,0,0,0|2,0,0]=3 124 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,1,0,0,0,0|2,0,0]=3 125 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,1,0,0,0,0|3,0,0]=4 126 B10R0.19 CCCCC(C)C(C)CCC CNP0086078.0 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,1,0,0,0,0|0,0,0]=1 128 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,1,0,0,0,0|0,0,0]=1 129 B10R0.19 CCCC[C@H](O)[C@@H](C)CCC CNP0167037.1 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.19 CCCC[C@H](O)[C@H](C)CCC CNP0167037.2 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,1,0,0,0,0|1,0,0]=2 132 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,1,0,0,0,0|1,0,1]=3 133 B10R0.24 CCCCCC(CO)CCC CNP0552368.0 [0,1,0,0,0,0|1,0,2]=4 134 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,1,0,0,0,0|1,0,1]=3 135 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,1,0,0,0,0|2,0,1]=4 136 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,1,0,0,0,0|2,0,0]=3 137 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,1,0,0,0,0|0,0,3]=4 138 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,1,0,0,0,0|0,0,1]=2 139 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,1,0,0,0,0|0,1,1]=3 140 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,1,0,0,0,0|1,0,0]=2 141 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,1,0,0,0,0|2,0,0]=3 142 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,1,0,0,0,0|1,0,1]=3 143 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,1,0,0,0,0|1,0,2]=4 144 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,1,0,0,0,0|1,0,1]=3 145 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,1,0,0,0,0|1,0,1]=3 146 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,1,0,0,0,0|1,0,0]=2 147 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,1,0,0,0,0|0,0,0]=1 148 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,1,0,0,0,0|0,0,0]=1 149 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,1,0,0,0,0|0,1,0]=2 150 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [0,1,0,0,0,0|2,0,1]=4 151 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [0,1,0,0,0,0|2,0,1]=4 153 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [0,1,0,0,0,0|2,0,1]=4 154 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,1,0,0,0,0|2,0,0]=3 155 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,1,0,0,0,0|2,0,0]=3 156 B10R0.91 O=C(CNCCO)NCCO CNP0450726.0 [0,1,0,0,0,0|3,0,0]=4 157 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,1,0,0,0,0|2,0,0]=3 158 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,1,0,0,0,0|3,0,0]=4 159 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,1,0,0,0,0|1,0,2]=4 161 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,1,0,0,0,0|2,0,1]=4 162 B10R0.156 CCCCCC(C)(C)CCC CNP0534660.0 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,0,0,1,0,0|0,0,2]=3 164 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,1,0,0|2,0,0]=3 165 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,0,0,1,0,0|2,0,1]=4 166 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,0,0,1,0,0|2,0,1]=4 167 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,0,0,1,0,0|2,0,1]=4 168 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,0,0,1,0,0|2,0,1]=4 169 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,0,0,1,0,0|2,0,1]=4 170 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,0,0,1,0,0|2,0,1]=4 171 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,0,0,1,0,0|2,0,1]=4 172 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,0,0,1,0,0|2,0,1]=4 173 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,0,0,1,0,0|2,0,1]=4 174 B10R1.11 CCCC(C)C1CCCC1 CNP0519344.0 [0,0,0,1,0,0|2,0,1]=4 175 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,0,0,1,0,0|1,0,0]=2 176 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,0,0,1,0,0|1,0,0]=2 177 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,0,0,1,0,0|1,0,2]=4 178 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [0,0,0,1,0,0|2,0,1]=4 179 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [0,0,0,1,0,0|1,0,2]=4 180 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [0,0,0,1,0,0|2,0,1]=4 181 B10R1.21 CCCCCC1NCCS1 CNP0234327.0 [0,0,0,1,0,0|1,1,1]=4 182 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,0,0,1,0,0|3,0,0]=4 183 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,0,0,1,0,0|3,0,0]=4 184 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,0,0,1,0,0|0,0,2]=3 185 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,0,0,1,0,0|0,0,0]=1 186 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|1,0,2]=4 187 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|1,0,0]=2 188 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,0,0,1,0,0|1,0,0]=2 189 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,0,0,1,0,0|2,0,0]=3 190 B10R1.457 CCCCCC1(CC1C)C CNP0570434.0 [0,0,0,1,0,0|2,0,1]=4 191 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|0,0,1]=3 192 B7R0.1 CC=CCSCCC CNP0536250.0 [2,0,0,0,0,0|1,0,1]=4 193 B7R0.1 CCC#CCCCC CNP0602501.0 [2,0,0,0,0,0|0,0,2]=4 194 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|0,0,1]=3 195 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|1,0,1]=4 196 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|1,0,1]=4 197 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|1,0,1]=4 198 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,1]=3 199 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,1]=4 200 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|1,0,1]=4 201 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|1,0,1]=4 202 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|1,0,1]=4 203 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|0,0,0]=2 204 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|2,0,0]=4 205 B7R0.1 CCCCCSSC CNP0201479.0 [2,0,0,0,0,0|1,1,0]=4 206 B7R0.1 CCNCCCCN CNP0107714.0 [2,0,0,0,0,0|2,0,0]=4 207 B7R0.1 CCNCCNCC CNP0103183.0 [2,0,0,0,0,0|2,0,0]=4 208 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|1,0,0]=3 209 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [2,0,0,0,0,0|0,0,2]=4 210 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [2,0,0,0,0,0|0,0,2]=4 211 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|1,0,0]=3 212 B7R0.3 CCC(=O)OCCO CNP0095595.0 [2,0,0,0,0,0|2,0,0]=4 213 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [2,0,0,0,0,0|0,0,2]=4 214 B7R0.3 CCCC=C(C)CC CNP0263169.0 [2,0,0,0,0,0|1,0,1]=4 215 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|0,0,0]=2 216 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|0,0,0]=2 217 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [2,0,0,0,0,0|1,0,1]=4 218 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [2,0,0,0,0,0|1,0,1]=4 219 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [2,0,0,0,0,0|0,0,2]=4 220 B7R0.3 CCCOC(=O)CC CNP0296678.0 [2,0,0,0,0,0|1,0,0]=3 221 B7R0.3 CCOCC(=O)OC CNP0306071.0 [2,0,0,0,0,0|1,0,0]=3 222 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [2,0,0,0,0,0|2,0,0]=4 223 B7R0.3 COC(=O)CCC#N CNP0076214.0 [2,0,0,0,0,0|1,0,1]=4 224 B7R0.3 COC(=O)CCC=O CNP0246367.0 [2,0,0,0,0,0|1,0,1]=4 225 B7R0.3 COC(=O)CCSC CNP0302353.0 [2,0,0,0,0,0|1,0,0]=3 226 B7R0.7 C=C(CCC)CCC CNP0515689.0 [2,0,0,0,0,0|2,0,0]=4 227 B7R0.7 C=C(OCC)OCC CNP0510072.0 [2,0,0,0,0,0|2,0,0]=4 228 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [2,0,0,0,0,0|0,0,2]=4 229 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|1,0,1]=4 230 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [2,0,0,0,0,0|0,0,2]=4 231 B7R0.7 CCC=C(C)CCC CNP0345457.0 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.7 CCCC(=O)CCC CNP0310318.0 [2,0,0,0,0,0|1,0,0]=3 233 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|0,0,0]=2 234 B7R0.7 CCCC(=S)OCC CNP0612025.0 [2,0,0,0,0,0|0,1,0]=3 235 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [2,0,0,0,0,0|1,0,1]=4 236 B7R0.7 CCOC(=O)CCS CNP0347470.0 [2,0,0,0,0,0|1,0,0]=3 237 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|1,0,0]=3 238 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|1,0,0]=3 239 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|1,0,0]=3 240 B7R0.7 CCOP(=O)OCC CNP0575132.0 [2,0,0,0,0,0|2,0,0]=4 241 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|1,0,0]=3 242 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [2,0,0,0,0,0|0,0,2]=4 243 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [2,0,0,0,0,0|1,0,1]=4 244 B7R0.4 CC(=O)OCCCS CNP0325111.0 [2,0,0,0,0,0|2,0,0]=4 245 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|0,0,2]=4 246 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,2]=4 247 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|0,0,2]=4 248 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|0,0,2]=4 249 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [2,0,0,0,0,0|0,0,2]=4 250 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,0]=2 251 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,0]=3 252 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|0,0,0]=2 253 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|0,1,0]=3 254 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|1,0,1]=4 255 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|0,0,0]=2 256 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,1]=4 257 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|0,0,2]=4 258 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|0,1,1]=4 259 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,1]=4 260 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|0,0,2]=4 261 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|0,1,1]=4 262 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|1,0,0]=3 263 B7R0.4 CCCSOC(=O)C CNP0411356.0 [2,0,0,0,0,0|2,0,0]=4 264 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,0]=3 265 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|1,0,0]=3 266 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|1,0,0]=3 267 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|1,0,0]=3 268 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|2,0,0]=4 269 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [2,0,0,0,0,0|1,0,1]=4 270 B7R0.4 NCCCCC(=O)N CNP0001733.0 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|1,0,0]=3 272 B7R0.4 NCCNCC(=O)O CNP0461877.0 [2,0,0,0,0,0|2,0,0]=4 273 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|1,0,0]=3 274 B7R0.4 O=C(O)CNCCO CNP0333030.0 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [2,0,0,0,0,0|1,0,1]=4 276 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [1,1,0,0,0,0|1,0,1]=4 277 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|1,0,1]=4 278 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,1,0,0,0,0|0,0,0]=2 279 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [1,1,0,0,0,0|2,0,0]=4 280 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [1,1,0,0,0,0|2,0,0]=4 281 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [1,1,0,0,0,0|2,0,0]=4 282 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [1,1,0,0,0,0|0,0,1]=3 283 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,1,0,0,0,0|1,0,0]=3 284 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [1,1,0,0,0,0|0,0,0]=2 285 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [1,1,0,0,0,0|2,0,0]=4 286 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [1,1,0,0,0,0|2,0,0]=4 288 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [1,1,0,0,0,0|1,0,0]=3 289 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,1,0,0,0,0|0,0,0]=2 290 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,1,0,0,0,0|0,0,0]=2 291 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [1,1,0,0,0,0|0,0,2]=4 292 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [1,1,0,0,0,0|0,0,2]=4 293 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [1,1,0,0,0,0|0,0,2]=4 294 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [1,1,0,0,0,0|1,0,1]=4 295 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [1,1,0,0,0,0|1,0,0]=3 296 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [1,1,0,0,0,0|0,0,0]=2 297 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [1,1,0,0,0,0|1,0,1]=4 298 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [1,1,0,0,0,0|2,0,0]=4 299 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|1,0,1]=4 300 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [1,1,0,0,0,0|2,0,0]=4 301 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [1,1,0,0,0,0|2,0,0]=4 302 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [1,1,0,0,0,0|0,0,2]=4 303 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|0,0,1]=3 304 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [1,1,0,0,0,0|1,0,1]=4 305 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [1,1,0,0,0,0|1,0,1]=4 306 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,1,0,0,0,0|0,0,0]=2 307 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [1,1,0,0,0,0|1,0,0]=3 309 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [1,1,0,0,0,0|0,0,2]=4 310 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,1,0,0,0,0|1,0,1]=4 311 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,1,0,0,0,0|1,0,1]=4 312 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,1,0,0,0,0|1,0,1]=4 313 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,1,0,0,0,0|1,0,1]=4 314 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,1,0,0,0,0|0,0,2]=4 315 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,1,0,0,0,0|1,0,1]=4 316 B9R0.45 CCC#CCCCCCC CNP0606734.0 [1,1,0,0,0,0|1,0,1]=4 317 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,1,0,0,0,0|1,0,1]=4 318 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,1,0,0,0,0|1,0,0]=3 319 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,1,0,0,0,0|1,0,0]=3 320 B9R0.45 CCCC#CCCCCC CNP0576219.0 [1,1,0,0,0,0|1,0,1]=4 321 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,1,0,0,0,0|1,0,0]=3 322 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,1,0,0,0,0|1,0,0]=3 324 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,1,0,0,0,0|2,0,0]=4 325 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,1,0,0,0,0|1,0,1]=4 327 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,1,0,0,0,0|1,0,1]=4 328 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,1,0,0,0,0|0,0,1]=3 330 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,1,0,0,0,0|0,0,1]=3 331 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,1,0,0,0,0|1,0,1]=4 332 B9R0.45 CCOCCOCCOC CNP0567615.0 [1,1,0,0,0,0|1,0,1]=4 333 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,1,0,0,0,0|1,0,1]=4 334 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|1,0,1]=4 335 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,1,0,0,0,0|1,0,1]=4 336 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,1,0,0,0,0|1,0,1]=4 337 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,1,0,0,0,0|2,0,0]=4 338 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [1,1,0,0,0,0|0,0,2]=4 339 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [1,1,0,0,0,0|1,0,0]=3 340 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [1,1,0,0,0,0|1,0,1]=4 341 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,1,0,0,0,0|1,0,1]=4 342 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [1,1,0,0,0,0|0,0,1]=3 343 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [1,1,0,0,0,0|1,0,1]=4 344 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [1,1,0,0,0,0|1,0,1]=4 345 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [1,1,0,0,0,0|0,0,0]=2 346 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [1,1,0,0,0,0|1,0,0]=3 347 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [1,1,0,0,0,0|1,0,1]=4 348 B9R0.20 CCCCC[Si](Cl)(Cl)CC CNP0393505.0 [1,1,0,0,0,0|1,1,0]=4 349 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [1,1,0,0,0,0|0,0,1]=3 350 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,1,0,0,0,0|0,0,0]=2 351 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,1,0,0,0,0|0,0,0]=2 352 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [1,1,0,0,0,0|1,0,0]=3 353 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [1,1,0,0,0,0|0,0,0]=2 354 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [1,1,0,0,0,0|1,0,1]=4 355 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [1,1,0,0,0,0|0,0,2]=4 356 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [1,1,0,0,0,0|0,0,2]=4 357 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [1,1,0,0,0,0|1,0,1]=4 358 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [1,1,0,0,0,0|1,0,1]=4 359 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [1,1,0,0,0,0|1,0,1]=4 360 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [1,1,0,0,0,0|1,0,1]=4 361 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,1,0,0,0,0|1,0,1]=4 362 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|0,0,1]=3 363 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [1,1,0,0,0,0|1,0,0]=3 364 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [1,1,0,0,0,0|0,0,0]=2 365 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [1,1,0,0,0,0|1,0,1]=4 366 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [1,1,0,0,0,0|0,0,2]=4 367 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [1,1,0,0,0,0|0,0,2]=4 368 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [1,1,0,0,0,0|1,0,0]=3 369 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [1,1,0,0,0,0|1,0,0]=3 370 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [1,1,0,0,0,0|1,0,1]=4 371 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [1,1,0,0,0,0|0,0,1]=3 372 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [0,2,0,0,0,0|1,0,1]=4 373 B11R0.2 CCCCCOC(=O)CC(C)C CNP0135492.0 [0,2,0,0,0,0|1,0,0]=3 374 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [0,2,0,0,0,0|0,0,2]=4 375 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,2,0,0,0,0|1,0,1]=4 376 B11R0.4 CC=CCCCOC(=O)CCC CNP0508923.0 [0,2,0,0,0,0|1,0,1]=4 377 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,2,0,0,0,0|1,0,1]=4 378 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [0,2,0,0,0,0|0,0,0]=2 379 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,2,0,0,0,0|1,0,1]=4 380 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,2,0,0,0,0|0,0,0]=2 381 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,2,0,0,0,0|0,0,0]=2 382 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,2,0,0,0,0|0,0,0]=2 383 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,2,0,0,0,0|1,0,0]=3 384 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|0,0,0]=2 385 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,2,0,0,0,0|1,0,0]=3 386 B11R0.4 CCCCCCO[C@H](C)OCC CNP0259643.1 [0,2,0,0,0,0|1,0,1]=4 387 B11R0.5 CCCCC(=CC(=O)OCC)Br CNP0310959.0 [0,2,0,0,0,0|0,0,1]=3 388 B11R0.5 CCCCC(C)OC(=O)CCC CNP0547746.0 [0,2,0,0,0,0|1,0,0]=3 389 B11R0.5 NCCC[C@@H](N)CC(=O)NCN CNP0337275.1 [0,2,0,0,0,0|2,0,0]=4 390 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,2,0,0,0,0|0,0,1]=3 391 B11R0.81 C=C(CCCC)OCCCCC CNP0385438.0 [0,2,0,0,0,0|2,0,0]=4 392 B11R0.81 C=CCOC(=O)CCCCCC CNP0085340.0 [0,2,0,0,0,0|0,0,1]=3 393 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,2,0,0,0,0|1,0,1]=4 394 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [0,2,0,0,0,0|0,0,0]=2 395 B11R0.81 CCCCCOC(=O)CCCC CNP0079884.0 [0,2,0,0,0,0|1,0,0]=3 396 B11R0.142 CC=C(C)C(=O)OCCCCC CNP0541757.0 [0,2,0,0,0,0|1,0,1]=4 397 B11R0.142 CCCCCOC(=O)[C@H](C)CC CNP0234090.1 [0,2,0,0,0,0|1,0,0]=3 398 B11R0.161 CCCCCC[C@@H](CC)OCC CNP0201095.2 [0,2,0,0,0,0|1,0,1]=4 399 B11R0.161 CCCCCC[C@H](CC)OCC CNP0201095.1 [0,2,0,0,0,0|1,0,1]=4 400 B11R0.174 CCCC(=O)OCCC(C)CC CNP0235877.0 [0,2,0,0,0,0|1,0,0]=3 401 B11R0.176 CCCC(=O)OCCCC(C)C CNP0508013.0 [0,2,0,0,0,0|1,0,0]=3 402 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,2,0,0,0,0|0,0,0]=2 403 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,2,0,0,0,0|0,0,0]=2 404 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,2,0,0,0,0|0,0,1]=3 405 B11R0.304 CCCCCC[P@](=O)(O)OCC CNP0577105.1 [0,2,0,0,0,0|1,0,0]=3 406 B11R0.1 CCOC(=O)C[C@@H](C)NC(=O)C CNP0207369.1 [0,2,0,0,0,0|1,0,1]=4 407 B11R0.177 CCOC(=O)C(O)C(=O)OCC CNP0135851.0 [0,2,0,0,0,0|1,0,1]=4 408 B11R0.187 C=C(CO)[C@@H](O)CC(=O)OCC CNP0227038.1 [0,2,0,0,0,0|1,0,1]=4 409 B11R0.187 C=C(CO)[C@H](O)CC(=O)OCC CNP0227038.2 [0,2,0,0,0,0|1,0,1]=4 410 B11R0.187 CCOC(=O)CC(O)C(=O)OC CNP0340722.0 [0,2,0,0,0,0|1,0,1]=4 411 B11R0.6 CC(C)CCOC(=O)CC(C)C CNP0335578.0 [0,2,0,0,0,0|2,0,0]=4 412 B11R0.59 CCOC(=O)[C@@H](N)CSC(=O)C CNP0029965.1 [0,2,0,0,0,0|1,0,1]=4 413 B11R0.145 C/C=C(\C)/C(=O)CCC[C@H](C)O CNP0275570.1 [0,2,0,0,0,0|1,0,1]=4 414 B11R0.145 CC[C@@H](C)C(=O)OCCC(C)C CNP0330262.1 [0,2,0,0,0,0|2,0,0]=4 415 B11R0.147 CCCCC(=O)OCCC(C)C CNP0141436.0 [0,2,0,0,0,0|2,0,0]=4 416 B11R0.180 CCOC(=O)CCC[N+](C)(C)C CNP0063315.0 [0,2,0,0,0,0|1,0,0]=3 417 B11R0.107 CCC(C)COC(=O)CC(C)C CNP0079769.0 [0,2,0,0,0,0|2,0,0]=4 418 B11R0.139 C=C(C(=O)OCCCC)[C@H](C)O CNP0261781.1 [0,2,0,0,0,0|2,0,0]=4 419 B11R0.139 CCCCCC(=O)C(C)C(=O)C CNP0003046.0 [0,2,0,0,0,0|1,0,1]=4 420 B11R0.165 CC(C)(C)OC(=O)NCCCN CNP0275636.0 [0,2,0,0,0,0|2,0,0]=4 421 B11R0.11 C=C(CCCC)C(C)CCCC CNP0244718.0 [0,2,0,0,0,0|2,0,0]=4 422 B11R0.43 CCOC(=O)C(=O)CC(=O)CC CNP0113615.0 [0,2,0,0,0,0|0,0,2]=4 423 B11R0.191 C=COC(=O)C(CC)CCCC CNP0559773.0 [0,2,0,0,0,0|0,0,2]=4 424 B11R0.191 CCCCC(CC)C(=O)OCC CNP0003276.0 [0,2,0,0,0,0|0,0,0]=2 425 B11R0.120 CC[C@@H](C)COC(=O)[C@H](C)CC CNP0303745.3 [0,2,0,0,0,0|2,0,0]=4 426 B11R0.120 CC[C@H](C)COC(=O)[C@@H](C)CC CNP0303745.2 [0,2,0,0,0,0|2,0,0]=4 427 B11R0.120 CC[C@H](C)COC(=O)[C@H](C)CC CNP0303745.1 [0,2,0,0,0,0|2,0,0]=4 428 B11R0.157 CCCCOC(=O)C(CC)CC CNP0609101.0 [0,2,0,0,0,0|2,0,0]=4 429 B11R0.46 CCCCCC(=O)C=CC(C)C CNP0585991.0 [0,2,0,0,0,0|1,0,0]=3 430 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|1,0,0]=3 431 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,2,0,0,0,0|1,0,1]=4 432 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [0,2,0,0,0,0|1,0,1]=4 433 B11R0.46 CCCCCC(=O)NCC(C)C CNP0299314.0 [0,2,0,0,0,0|1,0,0]=3 434 B11R0.46 CCCCCC(=O)OCC(C)C CNP0258306.0 [0,2,0,0,0,0|0,0,0]=2 435 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,2,0,0,0,0|2,0,0]=4 436 B11R0.70 CCCCC(=O)OCC(C)CC CNP0444894.0 [0,2,0,0,0,0|2,0,0]=4 437 B11R0.140 CCCC=CC(=O)OCCCC CNP0076599.0 [0,2,0,0,0,0|0,0,2]=4 438 B11R0.140 CCCCCC(=O)CCCCC CNP0003552.0 [0,2,0,0,0,0|1,0,0]=3 439 B11R0.140 CCCCCC(=O)OCCCC CNP0132269.0 [0,2,0,0,0,0|0,0,0]=2 440 B11R0.140 CCCCNC(=O)OC#CCI CNP0273215.0 [0,2,0,0,0,0|1,0,1]=4 441 B11R0.9 CCOC(=O)CCC(OC)OC CNP0278348.0 [0,2,0,0,0,0|1,0,0]=3 442 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|2,0,0]=4 443 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,1,0,0|2,0,0]=4 444 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,1,0,0|2,0,0]=4 445 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,1,0,0|2,0,0]=4 446 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|1,0,1]=4 447 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|1,0,0]=3 448 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|2,0,0]=4 449 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|2,0,0]=4 450 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [1,0,0,1,0,0|2,0,0]=4 451 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [1,0,0,1,0,0|1,0,1]=4 452 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [1,0,0,1,0,0|2,0,0]=4 453 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [1,0,0,1,0,0|2,0,0]=4 454 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [1,0,0,1,0,0|2,0,0]=4 455 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|1,0,0]=3 456 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|0,0,0]=2 457 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [1,0,0,1,0,0|1,0,1]=4 458 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [1,0,0,1,0,0|2,0,0]=4 459 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|1,0,0]=3 460 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [1,0,0,1,0,0|0,0,2]=4 461 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [1,0,0,1,0,0|0,0,0]=2 462 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [1,0,0,1,0,0|0,0,0]=2 463 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [1,0,0,1,0,0|1,0,0]=3 464 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [1,0,0,1,0,0|2,0,0]=4 465 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|1,0,1]=4 466 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [1,0,0,1,0,0|0,1,1]=4 467 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [1,0,0,1,0,0|1,0,1]=4 468 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [1,0,0,1,0,0|0,0,0]=2 469 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [1,0,0,1,0,0|1,0,1]=4 470 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [1,0,0,1,0,0|1,0,1]=4 471 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [1,0,0,1,0,0|0,0,2]=4 472 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [1,0,0,1,0,0|0,0,2]=4 473 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [1,0,0,1,0,0|1,0,0]=3 474 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [1,0,0,1,0,0|1,0,1]=4 475 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [1,0,0,1,0,0|0,0,2]=4 476 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [1,0,0,1,0,0|1,0,1]=4 477 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [1,0,0,1,0,0|1,0,1]=4 478 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [1,0,0,1,0,0|1,0,1]=4 479 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [1,0,0,1,0,0|1,0,1]=4 480 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [1,0,0,1,0,0|0,0,2]=4 481 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [1,0,0,1,0,0|0,0,2]=4 482 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [1,0,0,1,0,0|1,0,0]=3 483 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [1,0,0,1,0,0|0,0,2]=4 484 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [1,0,0,1,0,0|0,0,2]=4 485 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [1,0,0,1,0,0|1,0,1]=4 486 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [1,0,0,1,0,0|1,0,1]=4 487 B11R1.16 CCOC(=O)C1CCCCC1 CNP0408576.0 [0,1,0,1,0,0|0,0,0]=2 488 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,1,0,0|1,0,0]=3 489 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,1,0,0|2,0,0]=4 490 B11R1.30 COCC(=O)OC1CCCC1 CNP0525040.0 [0,1,0,1,0,0|2,0,0]=4 491 B11R1.81 CCCC1=C(OC(=O)CC1)C CNP0474826.0 [0,1,0,1,0,0|0,0,1]=3 492 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,1]=3 493 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,1,0,1,0,0|1,0,0]=3 494 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,1,0,1,0,0|1,0,0]=3 495 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,1,0,0|0,0,0]=2 496 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,1,0,1,0,0|1,0,1]=4 497 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,1,0,1,0,0|1,0,1]=4 498 B11R1.230 CCCCC1=C[C@@H](OC1=O)C CNP0177872.2 [0,1,0,1,0,0|0,0,1]=3 499 B11R1.230 CCCCC1=C[C@H](OC1=O)C CNP0177872.1 [0,1,0,1,0,0|0,0,1]=3 500 B11R1.230 CCCCN1N=C(OC1=O)C CNP0147271.0 [0,1,0,1,0,0|1,0,1]=4 501 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,1,0,1,0,0|1,0,0]=3 502 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,1,0,1,0,0|1,0,0]=3 503 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,1,0,1,0,0|1,0,0]=3 504 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,1,0,1,0,0|1,0,0]=3 505 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,1,0,1,0,0|2,0,0]=4 506 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C CNP0362437.1 [0,1,0,1,0,0|1,0,1]=4 507 B11R1.187 CCC[C@@H]1C=C(C(=O)C1)OC CNP0350695.1 [0,1,0,1,0,0|2,0,0]=4 508 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|0,0,0]=2 509 B11R1.563 C[C@@H]1CCO[C@H](CC(=O)C1)O CNP0173979.1 [0,1,0,1,0,0|2,0,0]=4 510 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|0,0,0]=2 511 B11R1.1251 C/C=C/[C@@]1(CCOC(=O)C1)O CNP0458974.2 [0,1,0,1,0,0|0,0,2]=4 512 B11R1.1251 C/C=C/[C@]1(CCOC(=O)C1)O CNP0458974.1 [0,1,0,1,0,0|0,0,2]=4 513 B11R1.1251 CCO[P@@]1(=O)CCC[C@@H](C1)C CNP0060412.1 [0,1,0,1,0,0|1,0,0]=3 514 B11R1.1251 CCO[P@@]1(=O)CCC[C@H](C1)C CNP0060412.2 [0,1,0,1,0,0|1,0,0]=3 515 B11R1.1251 CCO[P@]1(=O)CCC[C@@H](C1)C CNP0060412.3 [0,1,0,1,0,0|1,0,0]=3 516 B11R1.1251 CCO[P@]1(=O)CCC[C@H](C1)C CNP0060412.4 [0,1,0,1,0,0|1,0,0]=3 517 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,1,0,1,0,0|1,0,1]=4 518 B11R1.15 CCOC(=O)[C@@H]1CCC(=N1)O CNP0524043.1 [0,1,0,1,0,0|1,0,1]=4 519 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [0,1,0,1,0,0|1,0,1]=4 520 B11R1.15 CCOC(=O)[C@H]1CCC(=N1)O CNP0524043.2 [0,1,0,1,0,0|1,0,1]=4 521 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [0,1,0,1,0,0|1,0,1]=4 522 B11R1.157 CC(C)O[C@@H]1CCC[C@@H](C1)C CNP0180292.2 [0,1,0,1,0,0|1,0,1]=4 523 B11R1.157 CC(C)O[C@H]1CCC[C@@H](C1)C CNP0180292.1 [0,1,0,1,0,0|1,0,1]=4 524 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,1,0,0|1,0,0]=3 525 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,1,0,1,0,0|1,0,1]=4 526 B11R1.27 CCCCCC1=COC(=N1)C CNP0262620.0 [0,1,0,1,0,0|1,0,1]=4 527 B11R1.27 CCCCCC1=NC(=CO1)C CNP0193931.0 [0,1,0,1,0,0|1,0,1]=4 528 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [0,1,0,1,0,0|0,0,2]=4 529 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,1,0,1,0,0|1,0,1]=4 530 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,1,0,1,0,0|1,0,0]=3 531 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [0,1,0,1,0,0|2,0,0]=4 532 B11R1.28 CCCCCC1=NCCCC1 CNP0532846.0 [0,1,0,1,0,0|2,0,0]=4 533 B11R1.186 CCC[C@@H]1CC(=O)C(=C1C)O CNP0223349.1 [0,1,0,1,0,0|1,0,1]=4 534 B11R1.203 CCCCC1=NCCCCC1 CNP0427788.0 [0,1,0,1,0,0|2,0,0]=4 535 B11R1.465 CCCCC1=C(COC1=O)C CNP0288035.0 [0,1,0,1,0,0|0,0,1]=3 536 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,2,0,0|1,0,1]=4 537 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|1,0,1]=4 538 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,2,0,0|2,0,0]=4 539 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,2,0,0|2,0,0]=4 540 B11R2.635 CCC=C1C2C1CCCC2 CNP0517847.0 [0,0,0,2,0,0|2,0,0]=4 541 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|0,0,0]=2 542 B11R2.89 COOC1=CC2C(C2C1)C CNP0368255.0 [0,0,0,2,0,0|2,0,0]=4