0 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,0,0,0,0,0|0,0,4]=4 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|1,0,3]=4 5 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,0,0,0,0,0|0,0,2]=2 10 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,0,0,0,0,0|1,0,3]=4 15 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,0,0,0,0,0|0,0,1]=2 21 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.4 CCC=CCC=CCO CNP0338368.0 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|0,0,3]=4 33 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [1,0,0,0,0,0|0,0,2]=3 34 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [1,0,0,0,0,0|0,0,2]=3 35 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,0,0,0,0,0|0,0,0]=1 36 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,0,0,0,0,0|0,0,2]=3 37 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,0,0,0,0,0|0,0,2]=3 38 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,0,0,0,0,0|0,0,2]=3 39 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,0,0,0,0,0|1,0,2]=4 40 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,0,0,0,0|0,0,2]=3 41 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,0,0,0,0,0|0,1,2]=4 42 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [1,0,0,0,0,0|1,0,1]=3 44 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,0,0,0,0,0|1,0,2]=4 46 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,1,0,0,0,0|0,0,0]=1 47 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,0,0,0,0|1,0,2]=4 48 B10R0.1 CCCC=CCC(C)CCC CNP0147977.0 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,1,0,0,0,0|2,0,0]=3 50 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,1,0,0,0,0|0,0,2]=3 51 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,1,0,0,0,0|0,0,2]=3 52 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,1,0,0,0,0|1,0,2]=4 53 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,1,0,0,0,0|0,0,2]=3 54 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,1,0,0,0,0|0,0,1]=2 55 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,1,0,0,0,0|0,0,2]=3 57 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,1,0,0,0,0|1,0,0]=2 58 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,1,0,0,0,0|2,0,0]=3 59 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,1,0,0,0,0|0,0,2]=3 60 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|0,0,3]=4 61 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,1,0,0,0,0|0,0,2]=3 62 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,1,0,0,0,0|0,0,2]=3 63 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,1,0,0,0,0|0,0,2]=3 64 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,1,0,0,0,0|0,0,2]=3 65 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,1,0,0,0,0|0,0,2]=3 66 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,1,0,0,0,0|1,0,2]=4 67 B10R0.91 C=CCOC(=O)C=CC=CC CNP0002918.0 [0,1,0,0,0,0|0,0,3]=4 68 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,1,0,0,0,0|0,0,3]=4 69 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,1,0,0,0,0|0,0,3]=4 70 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,1,0,0,0,0|1,0,2]=4 71 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,1,0,0,0,0|1,0,2]=4 72 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,1,0,0,0,0|0,0,2]=3 73 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,1,0,0,0,0|0,0,2]=3 74 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,1,0,0,0,0|0,1,2]=4 75 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,1,0,0,0,0|1,0,2]=4 76 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.10 CC=CC1=CC(=O)OCC1 CNP0430897.0 [0,0,0,1,0,0|0,0,2]=3 78 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,0,0,1,0,0|0,0,0]=1 79 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,0,0,1,0,0|2,0,1]=4 80 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,0,0,1,0,0|2,0,1]=4 81 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,0,0,1,0,0|1,0,2]=4 82 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,0,0,1,0,0|1,0,2]=4 83 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,0,0,1,0,0|1,0,2]=4 84 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.11 CCOC(=O)N1C=CN=C1 CNP0182750.0 [0,0,0,1,0,0|2,0,1]=4 86 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,0,0,1,0,0|1,0,1]=3 87 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,0,0,1,0,0|1,0,1]=3 88 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [0,0,0,1,0,0|1,0,2]=4 89 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,0,0,1,0,0|0,0,2]=3 90 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|1,0,2]=4 91 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|1,0,2]=4 92 B10R1.96 CCCC1=NC(=CS1)CC CNP0006135.0 [0,0,0,1,0,0|3,0,0]=4 93 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,0,0,1,0,0|1,0,2]=4 94 B7R0.1 CC=CC=CCCC CNP0275494.0 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.1 CC=CCC=CCO CNP0168622.0 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|1,0,1]=4 97 B7R0.1 CC=CCSCCC CNP0536250.0 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.1 CCC=CC=CCC CNP0546897.0 [2,0,0,0,0,0|0,0,1]=3 99 B7R0.1 CCC=CC=CCO CNP0332799.0 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|0,0,1]=3 101 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|0,0,2]=4 105 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|1,0,1]=4 106 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [2,0,0,0,0,0|0,0,2]=4 107 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [2,0,0,0,0,0|1,0,1]=4 108 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|1,0,1]=4 109 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [2,0,0,0,0,0|0,0,0]=2 110 B7R0.3 CCCC=C(C)CC CNP0263169.0 [2,0,0,0,0,0|1,0,1]=4 111 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|0,0,1]=3 112 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|0,0,1]=3 113 B7R0.3 CCCOC(=O)CC CNP0296678.0 [2,0,0,0,0,0|1,0,1]=4 114 B7R0.3 CCOCC(=O)OC CNP0306071.0 [2,0,0,0,0,0|1,0,0]=3 115 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [2,0,0,0,0,0|2,0,0]=4 117 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.3 COC(=O)CCC=O CNP0246367.0 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.3 COC(=O)CCSC CNP0302353.0 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.3 COC=CC(=O)OC CNP0398712.0 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.7 C=C(CCC)CCC CNP0515689.0 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.7 C=C(OCC)OCC CNP0510072.0 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [2,0,0,0,0,0|0,0,0]=2 125 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [2,0,0,0,0,0|1,0,0]=3 126 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|1,0,0]=3 127 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [2,0,0,0,0,0|0,0,0]=2 128 B7R0.7 CCC=C(C)CCC CNP0345457.0 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.7 CCCC(=O)CCC CNP0310318.0 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|0,0,0]=2 131 B7R0.7 CCCC(=S)OCC CNP0612025.0 [2,0,0,0,0,0|0,1,0]=3 132 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [2,0,0,0,0,0|1,0,0]=3 136 B7R0.7 CCOC(=O)CCS CNP0347470.0 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.7 CCOP(=O)OCC CNP0575132.0 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|0,0,2]=4 142 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|0,0,2]=4 143 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|0,0,2]=4 144 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [2,0,0,0,0,0|0,0,2]=4 145 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [2,0,0,0,0,0|0,0,2]=4 146 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|0,0,2]=4 147 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,0]=2 148 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|0,0,0]=2 149 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|0,0,2]=4 150 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [2,0,0,0,0,0|0,0,2]=4 151 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,2]=4 152 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|0,0,2]=4 153 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|0,0,2]=4 154 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,1]=4 155 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|1,0,1]=4 156 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,1,0,0,0,0|0,0,1]=3 157 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [1,1,0,0,0,0|0,0,2]=4 158 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,1,0,0,0,0|1,0,1]=4 159 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [1,1,0,0,0,0|0,0,1]=3 160 B9R0.18 CSC=CC(=O)NCCO CNP0211261.0 [1,1,0,0,0,0|2,0,0]=4 161 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,1,0,0,0,0|0,0,1]=3 163 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,1,0,0,0,0|0,0,1]=3 164 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [1,1,0,0,0,0|0,0,0]=2 165 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [1,1,0,0,0,0|0,0,2]=4 166 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [1,1,0,0,0,0|0,0,2]=4 167 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [1,1,0,0,0,0|0,0,0]=2 168 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [1,1,0,0,0,0|1,0,1]=4 169 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [1,1,0,0,0,0|1,0,1]=4 170 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [1,1,0,0,0,0|0,0,1]=3 171 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [1,1,0,0,0,0|1,0,0]=3 172 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [1,1,0,0,0,0|2,0,0]=4 173 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|1,0,1]=4 174 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [1,1,0,0,0,0|1,0,1]=4 176 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [1,1,0,0,0,0|0,0,0]=2 177 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [1,1,0,0,0,0|1,0,0]=3 178 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|0,0,1]=3 179 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,1,0,0,0,0|0,0,1]=3 182 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [1,1,0,0,0,0|1,0,1]=4 183 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [1,1,0,0,0,0|1,1,0]=4 184 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [1,1,0,0,0,0|0,0,2]=4 185 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [1,1,0,0,0,0|1,0,0]=3 187 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [1,1,0,0,0,0|2,0,0]=4 188 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,1,0,0,0,0|1,0,1]=4 191 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [1,1,0,0,0,0|0,0,2]=4 193 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [1,1,0,0,0,0|0,0,2]=4 195 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [1,1,0,0,0,0|0,0,1]=3 196 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,1,0,0,0,0|0,0,2]=4 197 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,1,0,0,0,0|0,0,2]=4 198 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [1,1,0,0,0,0|0,0,2]=4 199 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [1,1,0,0,0,0|0,0,2]=4 200 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [1,1,0,0,0,0|0,0,2]=4 201 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [1,1,0,0,0,0|1,0,1]=4 202 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [1,1,0,0,0,0|1,0,1]=4 203 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [1,1,0,0,0,0|1,0,1]=4 204 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [1,1,0,0,0,0|1,0,1]=4 205 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [1,1,0,0,0,0|0,0,2]=4 206 B9R0.50 C=CC(CC)CC=CCC CNP0580048.0 [1,1,0,0,0,0|1,0,1]=4 207 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [0,2,0,0,0,0|0,0,1]=3 208 B11R0.4 CC/C=C/CCO[C@@H](C)OCC CNP0204236.1 [0,2,0,0,0,0|1,0,1]=4 209 B11R0.4 CC/C=C\CCO[C@@H](C)OCC CNP0204236.2 [0,2,0,0,0,0|1,0,1]=4 210 B11R0.4 CC=CC(=O)OCCC=CCC CNP0265278.0 [0,2,0,0,0,0|1,0,1]=4 211 B11R0.4 CC=CC=CC=CC(=O)OCC CNP0412321.0 [0,2,0,0,0,0|0,0,2]=4 212 B11R0.4 CC=CC=CCOC(=O)CCC CNP0328344.0 [0,2,0,0,0,0|1,0,1]=4 213 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,2,0,0,0,0|1,0,0]=3 214 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [0,2,0,0,0,0|0,0,0]=2 215 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,2,0,0,0,0|1,0,0]=3 216 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,2,0,0,0,0|0,0,0]=2 217 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,2,0,0,0,0|0,0,2]=4 218 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,2,0,0,0,0|0,0,2]=4 219 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|0,0,2]=4 220 B11R0.5 CCCCC(=CC(=O)OCC)Br CNP0310959.0 [0,2,0,0,0,0|0,0,2]=4 221 B11R0.62 CCOC(=O)C=CC(=O)OCC CNP0127859.0 [0,2,0,0,0,0|0,0,1]=3 222 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,2,0,0,0,0|0,0,1]=3 223 B11R0.81 CCCC=COC(=O)CCCC CNP0496892.0 [0,2,0,0,0,0|2,0,0]=4 224 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [0,2,0,0,0,0|0,0,2]=4 225 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,2,0,0,0,0|0,0,2]=4 226 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,2,0,0,0,0|0,0,2]=4 227 B11R0.177 CCOC(=O)C(O)C(=O)OCC CNP0135851.0 [0,2,0,0,0,0|1,0,0]=3 228 B11R0.187 C=C(CO)[C@@H](O)CC(=O)OCC CNP0227038.1 [0,2,0,0,0,0|1,0,1]=4 229 B11R0.187 C=C(CO)[C@H](O)CC(=O)OCC CNP0227038.2 [0,2,0,0,0,0|1,0,1]=4 230 B11R0.187 CCOC(=O)CC(O)C(=O)OC CNP0340722.0 [0,2,0,0,0,0|1,0,1]=4 231 B11R0.43 CCOC(=O)C(=O)CC(=O)CC CNP0113615.0 [0,2,0,0,0,0|0,0,2]=4 232 B11R0.191 CCCCC(CC)C(=O)OCC CNP0003276.0 [0,2,0,0,0,0|0,0,2]=4 233 B11R0.46 CCCCCC(=O)OCC(C)C CNP0258306.0 [0,2,0,0,0,0|0,0,2]=4 234 B11R0.140 CCCC=CC(=O)OCCCC CNP0076599.0 [0,2,0,0,0,0|0,0,2]=4 235 B11R0.140 CCCCCC(=O)OCCCC CNP0132269.0 [0,2,0,0,0,0|0,0,2]=4 236 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [1,0,0,1,0,0|1,0,0]=3 238 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|1,0,1]=4 239 B9R1.22 COC1=CC(=O)O[C@H]1O CNP0399896.1 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.22 O=C1C=C(C(O1)O)CO CNP0131772.0 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.22 O=C1C=C([C@@H](O1)O)CO CNP0131772.1 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [1,0,0,1,0,0|1,0,1]=4 243 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|1,0,1]=4 244 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|0,0,1]=3 245 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|1,0,1]=4 246 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [1,0,0,1,0,0|0,0,2]=4 247 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [1,0,0,1,0,0|0,0,1]=3 249 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [1,0,0,1,0,0|1,0,0]=3 250 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [1,0,0,1,0,0|0,0,1]=3 251 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [1,0,0,1,0,0|1,0,0]=3 252 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [1,0,0,1,0,0|1,0,0]=3 253 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [1,0,0,1,0,0|1,0,0]=3 254 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [1,0,0,1,0,0|0,0,2]=4 256 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [1,0,0,1,0,0|0,0,0]=2 258 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [1,0,0,1,0,0|1,0,1]=4 259 B9R1.21 CCC1=CN=C(S1)CC CNP0055349.0 [1,0,0,1,0,0|1,1,0]=4 260 B9R1.21 CCC1=CSC(=N1)CC CNP0002533.0 [1,0,0,1,0,0|2,0,0]=4 261 B11R1.16 CCOC(=O)C1CCCCC1 CNP0408576.0 [0,1,0,1,0,0|0,0,2]=4 262 B11R1.30 CCOC(=O)CC1=CNC=N1 CNP0326437.0 [0,1,0,1,0,0|1,0,1]=4 263 B11R1.81 CCCC1=C(OC(=O)CC1)C CNP0474826.0 [0,1,0,1,0,0|0,0,2]=4 264 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,2]=4 265 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,1,0,0|0,0,2]=4 266 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|0,0,2]=4 267 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|0,0,2]=4 268 B11R1.1251 C/C=C/[C@@]1(CCOC(=O)C1)O CNP0458974.2 [0,1,0,1,0,0|0,0,2]=4 269 B11R1.1251 C/C=C/[C@]1(CCOC(=O)C1)O CNP0458974.1 [0,1,0,1,0,0|0,0,2]=4 270 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,1,0,1,0,0|1,0,0]=3 271 B11R1.15 CCOC(=O)[C@@H]1CCC(=N1)O CNP0524043.1 [0,1,0,1,0,0|1,0,0]=3 272 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [0,1,0,1,0,0|1,0,0]=3 273 B11R1.15 CCOC(=O)[C@H]1CCC(=N1)O CNP0524043.2 [0,1,0,1,0,0|1,0,0]=3 274 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [0,1,0,1,0,0|1,0,0]=3 275 B11R1.23 COC(=O)C1=CC(=O)OCC1 CNP0435092.0 [0,1,0,1,0,0|1,0,1]=4 276 B11R1.228 CCC(=O)N[C@H]1CCSC1=O CNP0531335.1 [0,1,0,1,0,0|1,1,0]=4 277 B11R2.1 O=C1CNC2=C1CCCC2 CNP0612009.0 [0,0,0,2,0,0|2,0,0]=4 278 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|0,0,2]=4