0 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.1 CC=C[S+]([O-])SCCC CNP0526768.0 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,0,0,0,0,0|0,0,2]=2 7 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,0,0,0,0,0|0,0,4]=4 10 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,0,0,0,0|0,0,3]=4 16 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,0,0,0,0|0,0,3]=4 17 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,0,0,0,0,0|0,0,3]=4 18 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,0,0,0,0|0,0,1]=2 19 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,0,0,0,0,0|0,0,3]=4 20 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|0,0,3]=4 21 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,0,0,0,0|0,0,3]=4 22 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,0,0,0,0|0,0,1]=2 23 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,0,0,0,0,0|0,0,3]=4 24 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|0,0,1]=2 25 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.1 CC=CSSCCC CNP0421889.0 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,0,0,0,0|0,0,3]=4 28 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,0,0,0,0|0,0,3]=4 30 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|0,0,1]=2 32 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.1 CCCC=CCCC CNP0541880.0 [1,0,0,0,0,0|0,0,3]=4 36 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|0,0,3]=4 40 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|0,0,0]=1 51 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|0,0,3]=4 60 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|0,0,1]=2 62 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|0,0,3]=4 68 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,0,0,0,0|0,0,0]=1 80 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,0,0,0,0|1,0,0]=2 82 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,0,0,0,0,0|1,0,1]=3 83 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,0,0,0,0,0|0,0,2]=3 84 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,0,0,0,0|0,0,2]=3 86 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,0,0,0,0|1,1,1]=4 88 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [1,0,0,0,0,0|3,0,0]=4 96 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,1,0,0,0,0|2,0,0]=3 97 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,1,0,0,0,0|2,0,0]=3 98 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,1,0,0,0,0|0,0,0]=1 99 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,0,0,0,0|0,0,1]=2 100 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,1,0,0,0,0|1,0,1]=3 101 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,1,0,0,0,0|1,0,2]=4 104 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,1,0,0,0,0|3,0,0]=4 105 B9R0.5 C/C=C/[S@@+]([O-])SCCCC CNP0553305.1 [0,1,0,0,0,0|1,0,1]=3 106 B9R0.5 C/C=C/[S@@H+]([O-])SCCCC CNP0479452.1 [0,1,0,0,0,0|1,0,1]=3 107 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|0,0,2]=3 108 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|1,0,1]=3 110 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,1,0,0,0,0|0,0,1]=2 111 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|0,0,0]=1 112 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,0,0,0,0|0,0,0]=1 113 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|0,0,3]=4 114 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,1,0,0,0,0|1,0,2]=4 115 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,0,0,0,0|0,0,3]=4 116 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|1,0,2]=4 117 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|0,0,2]=3 118 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|1,0,2]=4 119 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|1,0,1]=3 120 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,1,0,0,0,0|1,0,2]=4 121 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|0,0,2]=3 122 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,1,0,0,0,0|1,0,2]=4 123 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|1,0,1]=3 124 B9R0.8 C=CCOC(=O)C(=CC)C CNP0002799.0 [0,1,0,0,0,0|1,0,2]=4 125 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,1,0,0,0,0|1,0,0]=2 126 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|1,0,0]=2 127 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,1,0,0,0,0|1,0,2]=4 130 B9R0.8 CSCCC(=O)C(=CO)O CNP0001738.0 [0,1,0,0,0,0|2,0,0]=3 131 B9R0.18 C/C=C/S[S@@+]([O-])CCCC CNP0596048.2 [0,1,0,0,0,0|1,0,1]=3 132 B9R0.18 C/C=C/S[S@@H+]([O-])CCCC CNP0583303.1 [0,1,0,0,0,0|1,0,1]=3 133 B9R0.18 C/C=C\S[S@@+]([O-])CCCC CNP0596048.1 [0,1,0,0,0,0|1,0,1]=3 134 B9R0.18 C/C=C\S[S@@H+]([O-])CCCC CNP0583303.2 [0,1,0,0,0,0|1,0,1]=3 135 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,1,0,0,0,0|0,0,2]=3 136 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,1,0,0,0,0|0,0,1]=2 137 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,1,0,0,0,0|0,0,2]=3 138 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,1,0,0,0,0|0,0,2]=3 139 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,1,0,0,0,0|1,0,2]=4 140 B9R0.18 CSC=CC(=O)NCCO CNP0211261.0 [0,1,0,0,0,0|2,0,0]=3 141 B9R0.34 C=C[C@H](O)CC(=O)/C=C/C CNP0207948.1 [0,1,0,0,0,0|0,0,2]=3 142 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,1,0,0,0,0|1,0,2]=4 143 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,0,0,0,0|1,0,1]=3 145 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,0,0,0,0|1,0,1]=3 146 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,1,0,0,0,0|0,0,3]=4 147 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,1,0,0,0,0|0,0,2]=3 148 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,1,0,0,0,0|1,0,1]=3 149 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,1,0,0,0,0|1,0,0]=2 150 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,0,0,0,0|0,0,3]=4 151 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,1,0,0,0,0|1,0,2]=4 152 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,1,0,0,0,0|1,0,2]=4 153 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,1,0,0,0,0|1,0,2]=4 154 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,1,0,0,0,0|1,0,1]=3 155 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.66 CC=CS(=O)(=S)OCCC CNP0503561.0 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,0,0,1,0,0|1,0,2]=4 158 B9R1.8 C=CCC1=NCCCC1 CNP0003401.0 [0,0,0,1,0,0|1,0,2]=4 159 B9R1.8 CC#CC1=CCCCC1 CNP0572321.0 [0,0,0,1,0,0|1,0,2]=4 160 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [0,0,0,1,0,0|1,0,0]=2 161 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,0,0,1,0,0|1,0,2]=4 162 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,0,0,1,0,0|1,0,2]=4 163 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,0,0,1,0,0|0,0,2]=3 164 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,0,0,1,0,0|1,0,1]=3 165 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,0,0,1,0,0|1,0,2]=4 166 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,0,0,1,0,0|2,0,1]=4 167 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,0,0,1,0,0|2,0,0]=3 168 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,0,0,1,0,0|1,0,2]=4 170 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,0,0,1,0,0|1,0,2]=4 171 B9R1.12 NCCCN1C=CCC1 CNP0592244.0 [0,0,0,1,0,0|3,0,0]=4 172 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,0,0,1,0,0|0,0,2]=3 173 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,0,0,1,0,0|1,0,1]=3 174 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,0,0,1,0,0|1,0,1]=3 175 B9R1.15 N#CC1=C(CCCC1)N CNP0339241.0 [0,0,0,1,0,0|2,0,1]=4 176 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,0,0,1,0,0|2,0,0]=3 177 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,0,0,1,0,0|1,0,2]=4 178 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,0,0,1,0,0|1,0,2]=4 180 B9R1.27 CC1=C([C@H](CO1)C)C=O CNP0333364.1 [0,0,0,1,0,0|3,0,0]=4 181 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,0,0,1,0,0|0,0,2]=3 182 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,0,0,1,0,0|2,0,1]=4 183 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,0,0,1,0,0|1,0,1]=3 184 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,0,0,1,0,0|1,0,2]=4 185 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,0,0,1,0,0|1,0,2]=4 186 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,1,0,0|1,0,0]=2 187 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,0|0,0,2]=3 188 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,1,0,0|1,0,1]=3 189 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,1,0,0|1,0,1]=3 190 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,1,0,0|2,0,0]=3 191 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,0,0,1,0,0|3,0,0]=4 192 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|1,0,2]=4 193 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,0,0,1,0,0|1,0,2]=4 194 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|0,0,2]=3 195 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,0,0,1,0,0|1,0,1]=3 196 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.69 CC1CNC(=O)NC1=O CNP0349997.0 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,0,0,1,0,0|1,0,1]=3 200 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,0,0,1,0,0|1,0,1]=3 201 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,0,0,1,0,0|2,0,1]=4 202 B6R0.6 C=CC=CCCC CNP0526826.0 [2,0,0,0,0,0|0,0,1]=3 203 B6R0.6 C=CCCC=CC CNP0426808.0 [2,0,0,0,0,0|0,0,2]=4 204 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,1]=3 205 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.6 C=CCSCCC CNP0150756.0 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.6 CC=CC=CCC CNP0608489.0 [2,0,0,0,0,0|0,0,1]=3 209 B6R0.6 CC=CC=CCO CNP0292375.0 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,0]=2 212 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|1,0,0]=3 215 B6R0.6 CC=CSSCC CNP0418756.0 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,1]=3 217 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|1,0,1]=4 220 B6R0.6 CCCC=CNO CNP0162409.0 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|2,0,0]=4 223 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,2]=4 225 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,0]=2 232 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|1,0,0]=3 233 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,2]=4 234 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [2,0,0,0,0,0|0,0,2]=4 235 B6R0.1 CC=C(C)CSC CNP0003230.0 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.1 CC=CC(=CC)C CNP0535908.0 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,0]=2 238 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,0]=3 242 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,1]=3 243 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,1]=4 244 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|1,0,1]=4 250 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.1 COC(=O)C=CBr CNP0321764.0 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.1 COC(=O)C=CI CNP0190700.0 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.1 O=CC(=O)CCO CNP0294743.0 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,2]=4 260 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,2]=4 268 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 269 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,0]=2 270 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 271 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,2]=4 275 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,2]=4 276 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 277 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,0]=3 278 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,0]=3 279 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,0]=3 284 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|2,0,0]=4 292 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,1,0,0,0,0|0,0,1]=3 293 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,1,0,0,0,0|0,0,1]=3 294 B8R0.4 CC=CC#CCCCC CNP0343796.0 [1,1,0,0,0,0|0,0,1]=3 295 B8R0.4 CC=CC#CCCCO CNP0536748.0 [1,1,0,0,0,0|0,0,2]=4 296 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,1,0,0,0,0|0,0,1]=3 297 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,1,0,0,0,0|0,0,2]=4 299 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,1,0,0,0,0|0,0,1]=3 300 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,1,0,0,0,0|0,0,1]=3 301 B8R0.4 CC=CSSCCCC CNP0612155.0 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.4 CC=CSSSCCC CNP0003371.0 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,1,0,0,0,0|0,0,2]=4 305 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|0,0,1]=3 306 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|0,0,1]=3 307 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,1,0,0,0,0|0,0,2]=4 308 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,1,0,0,0,0|0,0,1]=3 309 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,1,0,0,0,0|0,0,1]=3 310 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,1,0,0,0,0|1,0,0]=3 312 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,1,0,0,0,0|0,0,1]=3 313 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,1,0,0,0,0|1,0,0]=3 314 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,1,0,0,0,0|0,0,1]=3 316 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,1,0,0,0,0|1,0,1]=4 317 B8R0.4 CSCCCN=CC=S CNP0098576.0 [1,1,0,0,0,0|2,0,0]=4 318 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [1,1,0,0,0,0|2,0,0]=4 319 B8R0.6 C/C=C/SS[C@@H](C)CC CNP0144239.2 [1,1,0,0,0,0|2,0,0]=4 320 B8R0.6 C/C=C/SS[C@H](C)CC CNP0144239.1 [1,1,0,0,0,0|2,0,0]=4 321 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [1,1,0,0,0,0|0,0,1]=3 322 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,1,0,0,0,0|0,0,2]=4 323 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,1,0,0,0,0|1,0,1]=4 324 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,1,0,0,0,0|0,0,1]=3 325 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|0,0,2]=4 326 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,1,0,0,0,0|1,0,0]=3 328 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|0,0,2]=4 329 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,1,0,0,0,0|0,0,2]=4 333 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,1,0,0,0,0|0,0,2]=4 334 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|0,0,2]=4 335 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,1,0,0,0,0|0,0,2]=4 336 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|0,0,2]=4 337 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|0,0,0]=2 338 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|0,0,1]=3 340 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|0,0,1]=3 341 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|0,0,1]=3 342 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|0,0,2]=4 343 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|1,0,1]=4 344 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|0,0,2]=4 346 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|0,0,1]=3 347 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|0,0,1]=3 348 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|1,0,0]=3 349 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|2,0,0]=4 351 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [1,1,0,0,0,0|2,0,0]=4 353 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|0,0,0]=2 355 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|1,0,0]=3 356 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|0,0,1]=3 357 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|0,0,1]=3 358 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|0,0,1]=3 359 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [1,1,0,0,0,0|2,0,0]=4 361 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,1,0,0,0,0|1,0,0]=3 362 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [1,1,0,0,0,0|2,0,0]=4 363 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [1,1,0,0,0,0|2,0,0]=4 364 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|0,0,2]=4 366 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|0,0,1]=3 367 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|0,0,1]=3 368 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|1,0,0]=3 371 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|1,0,0]=3 372 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [1,1,0,0,0,0|0,0,1]=3 373 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [1,1,0,0,0,0|0,0,2]=4 374 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|0,0,0]=2 375 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|0,0,2]=4 376 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|0,0,2]=4 377 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|0,0,2]=4 378 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|0,0,2]=4 379 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|0,0,1]=3 380 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|0,0,1]=3 381 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|1,0,0]=3 383 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|1,0,0]=3 384 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|2,0,0]=4 385 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [1,1,0,0,0,0|2,0,0]=4 386 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [1,1,0,0,0,0|0,0,2]=4 387 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [1,1,0,0,0,0|0,0,2]=4 388 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [1,1,0,0,0,0|2,0,0]=4 389 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,1,0,0,0,0|1,0,0]=3 390 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,1,0,0,0,0|2,0,0]=4 391 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,1,0,0,0,0|0,0,0]=2 392 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|0,0,1]=3 393 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|1,0,1]=4 394 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,1,0,0,0,0|0,0,2]=4 395 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,1,0,0,0,0|1,0,1]=4 396 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [1,1,0,0,0,0|2,0,0]=4 397 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,1,0,0,0,0|1,0,0]=3 398 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [1,1,0,0,0,0|2,0,0]=4 399 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|1,0,1]=4 400 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,1,0,0,0,0|1,0,1]=4 401 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,1,0,0,0,0|1,0,1]=4 403 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,1,0,0,0,0|1,0,1]=4 404 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,1,0,0,0,0|1,0,1]=4 405 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,1,0,0,0,0|0,0,1]=3 406 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,2,0,0,0,0|0,0,0]=2 407 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,2,0,0,0,0|1,0,1]=4 408 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|1,0,1]=4 409 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,2,0,0,0,0|0,0,1]=3 410 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,2,0,0,0,0|0,0,2]=4 411 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,2,0,0,0,0|0,0,2]=4 412 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,2,0,0,0,0|0,0,2]=4 413 B10R0.6 CCCCOC(=O)NC(=O)N CNP0536572.0 [0,2,0,0,0,0|2,0,0]=4 414 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|0,0,1]=3 415 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,2,0,0,0,0|1,0,1]=4 416 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,2,0,0,0,0|1,0,1]=4 417 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|1,0,1]=4 418 B10R0.44 CCC(C)CC(=O)C=C(C)C CNP0609623.0 [0,2,0,0,0,0|0,0,0]=2 419 B10R0.44 CC[C@@H](C)SC(=O)C=C(C)C CNP0157491.1 [0,2,0,0,0,0|1,0,0]=3 420 B10R0.96 CC(=CC(=O)CCC(=O)O)O CNP0478615.0 [0,2,0,0,0,0|1,0,1]=4 421 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,2,0,0,0,0|1,0,1]=4 422 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,2,0,0,0,0|1,0,1]=4 423 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|0,0,2]=4 424 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,2,0,0,0,0|0,0,2]=4 425 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,2,0,0,0,0|0,0,2]=4 426 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|1,0,1]=4 427 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|1,0,1]=4 428 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|0,0,2]=4 429 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|1,0,1]=4 430 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|1,0,1]=4 431 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,2,0,0,0,0|0,0,2]=4 432 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|1,0,1]=4 433 B10R0.3 C=C(C)CCCC(=CC=O)C CNP0211980.0 [0,2,0,0,0,0|2,0,0]=4 434 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,2,0,0,0,0|0,0,2]=4 435 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,2,0,0,0,0|1,0,1]=4 436 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|1,0,1]=4 437 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|1,0,1]=4 438 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,2,0,0,0,0|1,0,1]=4 439 B10R0.19 CCCCC(=O)[C@@H](C)CCC CNP0177247.2 [0,2,0,0,0,0|0,0,2]=4 440 B10R0.19 CCCCC(=O)[C@H](C)CCC CNP0177247.1 [0,2,0,0,0,0|0,0,2]=4 441 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|1,0,1]=4 442 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|1,0,1]=4 443 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,2,0,0,0,0|1,0,1]=4 444 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,2,0,0,0,0|0,0,2]=4 445 B10R0.83 C=C(C#N)C(=O)OCCCC CNP0582934.0 [0,2,0,0,0,0|1,0,1]=4 446 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,2,0,0,0,0|0,0,0]=2 447 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,2,0,0,0,0|0,0,0]=2 448 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,2,0,0,0,0|0,0,2]=4 449 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|0,0,2]=4 450 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,2,0,0,0,0|0,0,2]=4 451 B10R0.91 CC=CC#CC(=O)CCCO CNP0540808.0 [0,2,0,0,0,0|1,0,0]=3 452 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,2,0,0,0,0|0,0,0]=2 453 B10R0.91 CCCCC(=O)C#CCCO CNP0155413.0 [0,2,0,0,0,0|0,0,2]=4 454 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,2,0,0,0,0|0,0,2]=4 455 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,2,0,0,0,0|0,0,2]=4 456 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,2,0,0,0,0|0,0,1]=3 457 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,2,0,0,0,0|0,0,0]=2 458 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|1,0,1]=4 459 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|0,0,2]=4 460 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,2]=4 461 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|1,0,1]=4 462 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,2,0,0,0,0|0,0,2]=4 463 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,2,0,0,0,0|0,0,2]=4 464 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,2,0,0,0,0|0,0,2]=4 465 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,2,0,0,0,0|0,0,2]=4 466 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,2,0,0,0,0|1,0,1]=4 467 B10R0.57 C=C(C)COC(=O)C(=CC)C CNP0568827.0 [0,2,0,0,0,0|1,0,1]=4 468 B10R0.57 CC=C(C)C(=O)NCC(C)C CNP0353529.0 [0,2,0,0,0,0|1,0,0]=3 469 B10R0.57 CC=C(C)C(=O)OCC(C)C CNP0164553.0 [0,2,0,0,0,0|1,0,0]=3 470 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,2,0,0,0,0|0,0,0]=2 471 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,2,0,0,0,0|1,0,1]=4 472 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,2,0,0,0,0|0,0,2]=4 473 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,2,0,0,0,0|1,0,1]=4 474 B10R0.78 C[S@+]([O-])/C=C/C(=O)NCCO CNP0593716.1 [0,2,0,0,0,0|2,0,0]=4 475 B10R0.78 C[S@@+]([O-])/C=C/C(=O)NCCO CNP0593716.2 [0,2,0,0,0,0|2,0,0]=4 476 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,2,0,0,0,0|1,0,1]=4 477 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,0,0,1,0,0|0,0,1]=3 478 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|0,0,1]=3 479 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|1,0,0]=3 481 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|1,0,0]=3 482 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,0,0,1,0,0|1,0,1]=4 483 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,0,0,1,0,0|1,0,1]=4 484 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,0,0,1,0,0|1,0,1]=4 485 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,0,0,1,0,0|1,0,1]=4 486 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|1,0,1]=4 487 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|0,0,1]=3 489 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,1,0,0|1,0,1]=4 490 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,1,0,0|1,0,1]=4 491 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,1,0,0|1,0,1]=4 492 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|1,0,0]=3 493 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|1,0,0]=3 494 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [1,0,0,1,0,0|0,0,1]=3 495 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|0,0,1]=3 496 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [1,0,0,1,0,0|1,0,1]=4 497 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,0,0,1,0,0|1,0,0]=3 498 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|1,0,1]=4 499 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|1,0,1]=4 500 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [1,0,0,1,0,0|1,0,0]=3 502 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|2,0,0]=4 503 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [1,0,0,1,0,0|2,0,0]=4 504 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|1,0,1]=4 505 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,0,0,1,0,0|0,0,2]=4 506 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|0,0,1]=3 507 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|1,0,1]=4 508 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|1,0,1]=4 509 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [1,0,0,1,0,0|1,0,1]=4 510 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [1,0,0,1,0,0|2,0,0]=4 511 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [1,0,0,1,0,0|2,0,0]=4 512 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [1,0,0,1,0,0|2,0,0]=4 514 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|0,0,1]=3 515 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,0,0,1,0,0|1,0,1]=4 516 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|1,0,0]=3 517 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|1,0,1]=4 518 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|1,0,1]=4 519 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|1,0,0]=3 520 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|0,0,0]=2 521 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,1,0,0|1,0,0]=3 522 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|1,0,0]=3 523 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,1]=4 524 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,1,0,0|1,0,1]=4 525 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|0,0,2]=4 526 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,1,0,0|0,0,2]=4 527 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|0,0,0]=2 528 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|1,0,1]=4 529 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|1,0,0]=3 530 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,2]=4 531 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|1,0,1]=4 532 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|1,0,0]=3 533 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,2]=4 534 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|1,0,1]=4 535 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [1,0,0,1,0,0|1,0,0]=3 536 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [1,0,0,1,0,0|2,0,0]=4 537 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,1,0,0|0,0,0]=2 539 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|2,0,0]=4 541 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,0,0,1,0,0|1,0,1]=4 542 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [1,0,0,1,0,0|2,0,0]=4 543 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,0,0,1,0,0|1,0,1]=4 544 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [1,0,0,1,0,0|2,0,0]=4 545 B10R1.8 CC1=CC(=O)C[C@@H](O1)CO CNP0212942.1 [0,1,0,1,0,0|1,0,0]=3 546 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,1,0,1,0,0|0,0,0]=2 547 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [0,1,0,1,0,0|0,0,1]=3 548 B10R1.16 CCCCC1=COC(=N1)C CNP0415020.0 [0,1,0,1,0,0|1,0,0]=3 549 B10R1.16 CCCCC1=CSC(=N1)C CNP0262128.0 [0,1,0,1,0,0|1,0,0]=3 550 B10R1.16 CCCCC1=NC(=CS1)C CNP0002532.0 [0,1,0,1,0,0|1,0,0]=3 551 B10R1.54 CC(=CC1CCC(C1)C)C CNP0182372.0 [0,1,0,1,0,0|1,0,1]=4 552 B10R1.61 C=C(C)C1CCCCC1=C CNP0547861.0 [0,1,0,1,0,0|1,0,1]=4 553 B10R1.61 CC(=C1CCCCC1=O)C CNP0262850.0 [0,1,0,1,0,0|0,0,0]=2 554 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|0,0,2]=4 555 B10R1.10 C/C=C/[C@@H]1CCC[C@@H](N1)C CNP0335648.1 [0,1,0,1,0,0|1,0,1]=4 556 B10R1.10 C/C=C/[C@H]1CCC[C@H](N1)C CNP0335648.2 [0,1,0,1,0,0|1,0,1]=4 557 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,1,0,1,0,0|0,0,2]=4 558 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|0,0,2]=4 559 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,1,0,0|0,0,0]=2 560 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,1,0,0|0,0,0]=2 561 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,1,0,0|1,0,1]=4 562 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,1,0,0|1,0,1]=4 563 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,1,0,1,0,0|0,0,2]=4 564 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [0,1,0,1,0,0|0,1,1]=4 565 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|1,0,1]=4 566 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|0,0,2]=4 567 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|0,0,2]=4 568 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,1,0,1,0,0|1,0,1]=4 569 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|0,0,2]=4 570 B10R1.245 N=CC1=C(CCCC1=O)O CNP0451959.0 [0,1,0,1,0,0|1,0,1]=4 571 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|1,0,1]=4 572 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|0,0,1]=3 573 B10R1.15 CCC(=C1CCCCN1)O CNP0382476.0 [0,1,0,1,0,0|1,0,1]=4 574 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,1,0,1,0,0|0,0,2]=4 575 B10R1.30 COC1=CC(=O)OC[C@@H]1O CNP0353859.2 [0,1,0,1,0,0|2,0,0]=4 576 B10R1.30 COC1=CC(=O)OC[C@H]1O CNP0353859.1 [0,1,0,1,0,0|2,0,0]=4 577 B10R1.34 CC[C@@H]1CC(=O)C(=C1C)O CNP0372233.1 [0,1,0,1,0,0|0,0,0]=2 578 B10R1.34 CC[C@H]1OC(=O)C(=C1C)O CNP0147555.1 [0,1,0,1,0,0|1,0,0]=3 579 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|0,0,1]=3 580 B10R1.4 C/C=C/[C@@H]1OCCC[C@H]1O CNP0426580.1 [0,1,0,1,0,0|0,0,2]=4 581 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|0,0,2]=4 582 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [0,1,0,1,0,0|1,0,1]=4 583 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,1,0,1,0,0|1,0,1]=4 584 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,1,0,1,0,0|1,0,1]=4 585 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,1,0,1,0,0|1,0,1]=4 586 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,1,0,1,0,0|1,0,1]=4 587 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [0,1,0,1,0,0|1,0,1]=4 588 B10R1.32 COC1=CC(=O)O[C@@H]1CO CNP0312282.2 [0,1,0,1,0,0|2,0,0]=4 589 B10R1.32 COC1=CC(=O)O[C@H]1CO CNP0312282.1 [0,1,0,1,0,0|2,0,0]=4 590 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,1,0,0|0,0,2]=4 591 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,1,0,0|0,0,2]=4 592 B10R1.22 CC1=CC(=O)C[C@@H]([C@H]1O)O CNP0177543.1 [0,1,0,1,0,0|1,0,0]=3 593 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,1,0,0|0,0,2]=4 594 B10R1.256 C/C=C\1/C(=O)NC(=O)[C@@H]1C CNP0276532.1 [0,1,0,1,0,0|1,0,1]=4 595 B10R1.256 CC=C1C(=O)NC(=O)[C@H]1C CNP0276532.2 [0,1,0,1,0,0|1,0,1]=4 596 B10R1.475 CC[C@@]1(CC(=O)NC1=O)C CNP0594000.1 [0,1,0,1,0,0|2,0,0]=4 597 B10R1.475 CC[C@]1(CC(=O)NC1=O)C CNP0594000.2 [0,1,0,1,0,0|2,0,0]=4 598 B10R1.2 C[C@H]1CCC/C(=N/O)/C1=O CNP0226443.1 [0,1,0,1,0,0|2,0,0]=4 599 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|1,0,1]=4 600 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [0,1,0,1,0,0|1,0,1]=4 601 B10R1.63 CC1=CC(=O)C(CC1)(C)C CNP0610544.0 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,1,0,1,0,0|1,0,1]=4 603 B10R1.66 CC(C)CCC1=COC=C1 CNP0161976.0 [0,1,0,1,0,0|2,0,0]=4 604 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [0,0,0,2,0,0|0,0,2]=4 605 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,2,0,0|0,0,0]=2 606 B10R2.32 O=C1C=C[C@@H]2N1CCC2 CNP0161013.1 [0,0,0,2,0,0|1,0,0]=3 607 B10R2.32 O=C1C=C[C@H]2N1CCC2 CNP0161013.2 [0,0,0,2,0,0|1,0,0]=3 608 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,2,0,0|1,0,1]=4 609 B10R2.7 C1=CC2CCCCC2C1 CNP0590216.0 [0,0,0,2,0,0|1,0,1]=4 610 B10R2.43 CC1=CC(C2CC1C2)O CNP0570010.0 [0,0,0,2,0,0|0,0,2]=4