0 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,0,0,0,0,0|1,0,1]=2 11 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,0,0,0,0,0|1,0,3]=4 14 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,0,0,0,0,0|1,0,3]=4 15 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|0,0,1]=2 43 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,0,0,0,0,0|0,0,3]=4 48 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|0,0,3]=4 51 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|0,0,1]=2 53 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|0,0,3]=4 59 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|0,0,3]=4 68 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,0,0,0,0|0,0,3]=4 72 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|0,0,3]=4 73 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|0,0,1]=2 74 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|0,0,1]=2 76 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|1,0,1]=3 78 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|0,0,3]=4 83 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|0,1,2]=4 84 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|0,0,3]=4 86 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|0,1,2]=4 87 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,0,0,0,0,0|2,1,0]=4 88 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|1,0,1]=3 95 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|1,0,1]=3 98 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|2,0,0]=3 99 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,0,0,0,0,0|3,0,0]=4 105 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,0,0,0,0,0|1,0,2]=4 108 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,0,0,0,0,0|1,0,0]=2 109 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|0,0,0]=1 112 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,0,0,0,0,0|1,0,0]=2 113 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,0,0,0,0,0|1,0,1]=3 115 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,0,0,0,0|0,0,2]=3 116 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,0,0,0,0|0,0,2]=3 117 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,0,0,0,0|1,0,1]=3 118 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,0,0,0,0|0,0,2]=3 123 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,0,0,0,0|1,0,0]=2 130 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,0,0,0,0,0|1,1,1]=4 132 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,0,0,0,0|1,0,2]=4 133 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,0,0,0,0|1,0,2]=4 134 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,0,0,0,0|2,0,0]=3 136 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.7 NC(=O)CCC(=O)C(=O)O CNP0032107.0 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.7 O=C(O)C(=O)CC[P@@H](=O)O CNP0360014.1 [0,1,0,0,0,0|3,0,0]=4 147 B9R0.7 O=C(O)C(=O)CC[PH+]([O-])O CNP0610320.0 [0,1,0,0,0,0|3,0,0]=4 148 B9R0.7 O=C(O)CCC(=O)C(=O)O CNP0115442.0 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.7 O=C([O-])CCC(=O)C(=O)O CNP0505801.0 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,1,0,0,0,0|2,0,0]=3 151 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|0,0,0]=1 152 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,1,0,0,0,0|1,0,1]=3 153 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|1,0,1]=3 154 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,1,0,0,0,0|1,0,1]=3 155 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|1,0,1]=3 156 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,1,0,0,0,0|2,0,1]=4 158 B9R0.8 CSCCC(=O)C(=CO)O CNP0001738.0 [0,1,0,0,0,0|1,0,2]=4 159 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,1,0,0,0,0|1,0,1]=3 161 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,1,0,0,0,0|0,0,2]=3 162 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,1,0,0,0,0|2,0,1]=4 163 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,1,0,0,0,0|2,0,1]=4 164 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,1,0,0,0,0|2,0,1]=4 166 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,1,0,0,0,0|1,0,1]=3 170 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,1,0,0,0,0|1,0,1]=3 172 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,1,0,0,0,0|2,0,1]=4 173 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,1,0,0,0,0|2,0,0]=3 174 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,1,0,0,0,0|1,0,0]=2 175 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,0,0,0,0|1,0,0]=2 176 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|0,0,0]=1 177 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,1,0,0,0,0|2,0,1]=4 178 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|0,0,2]=3 179 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,0,0,0,0|0,0,2]=3 182 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,1,0,0,0,0|1,0,2]=4 183 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,1,0,0,0,0|1,0,2]=4 185 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,0,0,0,0|1,0,1]=3 186 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,0,0,0,0|0,0,2]=3 187 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,1,0,0,0,0|2,0,1]=4 189 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,1,0,0,0,0|2,0,1]=4 190 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,1,0,0,0,0|2,0,1]=4 191 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,1,0,0,0,0|2,0,1]=4 192 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,1,0,0,0,0|1,0,0]=2 195 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,1,0,0,0,0|2,0,1]=4 196 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,1,0,0,0,0|1,0,0]=2 198 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,1,0,0,0,0|2,0,1]=4 199 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,1,0,0,0,0|2,0,1]=4 204 B9R0.51 CCCCC(Br)(Br)C(=O)C CNP0017708.0 [0,1,0,0,0,0|1,0,1]=3 205 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|1,0,1]=3 206 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|2,0,1]=4 207 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,1,0,0|2,0,1]=4 208 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,0,0,1,0,0|2,0,0]=3 209 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,0,0,1,0,0|1,0,0]=2 210 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,0,0,1,0,0|1,0,1]=3 211 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,0,0,1,0,0|2,0,1]=4 212 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,0,0,1,0,0|1,0,0]=2 213 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,0,0,1,0,0|1,0,1]=3 214 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,0,0,1,0,0|2,0,0]=3 215 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [0,0,0,1,0,0|3,0,0]=4 216 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,0,0,1,0,0|2,0,1]=4 217 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,0,0,1,0,0|2,0,1]=4 218 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,0,0,1,0,0|2,0,1]=4 219 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,0,0,1,0,0|2,0,0]=3 220 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,0,0,1,0,0|3,0,0]=4 221 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,0,0,1,0,0|3,0,0]=4 222 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,0,0,1,0,0|2,0,0]=3 223 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,0,0,1,0,0|2,0,1]=4 224 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,0,0,1,0,0|2,0,1]=4 225 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,0,0,1,0,0|2,0,1]=4 226 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,0,0,1,0,0|2,0,1]=4 227 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,0,0,1,0,0|3,0,0]=4 228 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [0,0,0,1,0,0|0,0,2]=3 229 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,0|2,0,1]=4 230 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,0|2,0,1]=4 231 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,0,0,1,0,0|2,0,1]=4 232 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,0,0,1,0,0|2,0,1]=4 234 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,0,1,0,0|1,0,2]=4 235 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,0,0,1,0,0|2,0,1]=4 236 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,0,0,1,0,0|2,0,1]=4 237 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,0,0,1,0,0|2,0,1]=4 238 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,0,0,1,0,0|2,0,1]=4 239 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,0,0,1,0,0|2,0,0]=3 240 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,0,0,1,0,0|2,0,1]=4 241 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [0,0,0,1,0,0|2,0,1]=4 242 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,0,0,0,0,1|2,0,0]=3 243 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,0,0,0,0,1|2,0,0]=3 244 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,0,0,0,0,1|1,0,0]=2 245 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,0,0,0,0,1|0,0,0]=1 246 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,0,0,0,0,1|1,0,1]=3 247 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,0,0,0,0,1|2,0,1]=4 248 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,0,0,0,0,1|1,0,1]=3 249 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,0,0,0,0,1|2,0,1]=4 250 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,0,0,0,0,1|2,0,0]=3 251 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,0,0,0,0,1|2,0,1]=4 252 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,0,0,0,0,1|2,0,0]=3 253 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,1]=3 254 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|1,0,1]=4 255 B6R0.1 CC=C(C)CSC CNP0003230.0 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,1]=4 257 B6R0.1 CCC=C(C)C=O CNP0245615.0 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|0,0,0]=2 260 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,1]=3 261 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|0,0,2]=4 262 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|1,0,0]=3 264 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|1,0,0]=3 268 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.1 O=CC(=O)CCO CNP0294743.0 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,2]=4 277 B6R0.4 CC(=CCCN)C CNP0568876.0 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.4 CC(=CCCO)C CNP0410779.0 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,1]=3 287 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,1]=3 289 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,0]=2 290 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,1]=3 292 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 293 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,1]=3 294 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,2]=4 295 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,2]=4 296 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 297 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,0]=3 298 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,0]=3 299 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 301 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,1]=4 303 B6R0.4 COCC=C(C)C CNP0493784.0 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,0]=3 305 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 306 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,1]=4 307 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|1,0,1]=4 309 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,1]=4 312 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.6 C=CC=CCCC CNP0526826.0 [2,0,0,0,0,0|0,0,2]=4 314 B6R0.6 C=CCCC=CC CNP0426808.0 [2,0,0,0,0,0|0,0,2]=4 315 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,2]=4 316 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|1,0,1]=4 317 B6R0.6 CC=CC=CCC CNP0608489.0 [2,0,0,0,0,0|0,0,2]=4 318 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,0]=2 320 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|1,0,0]=3 323 B6R0.6 CC=CSSCC CNP0418756.0 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.6 CCC=C=CC=O CNP0611366.0 [2,0,0,0,0,0|0,0,2]=4 325 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,2]=4 326 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,1]=3 327 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,1]=3 328 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,1]=4 329 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,1]=3 330 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,2]=4 331 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,1]=4 332 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|1,0,1]=4 333 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|1,0,1]=4 334 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|2,0,0]=4 337 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|1,0,1]=4 339 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|1,0,1]=4 340 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [2,0,0,0,0,0|2,0,0]=4 341 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [2,0,0,0,0,0|2,0,0]=4 342 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [2,0,0,0,0,0|2,0,0]=4 344 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [2,0,0,0,0,0|0,0,0]=2 345 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [2,0,0,0,0,0|1,0,0]=3 346 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [2,0,0,0,0,0|0,1,1]=4 348 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [2,0,0,0,0,0|2,0,0]=4 349 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [2,0,0,0,0,0|1,0,1]=4 350 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [2,0,0,0,0,0|0,0,2]=4 351 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [2,0,0,0,0,0|0,0,2]=4 352 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [2,0,0,0,0,0|0,1,1]=4 353 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [2,0,0,0,0,0|1,0,1]=4 354 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [2,0,0,0,0,0|0,0,2]=4 355 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [2,0,0,0,0,0|1,0,1]=4 356 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [2,0,0,0,0,0|2,0,0]=4 357 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [2,0,0,0,0,0|1,0,0]=3 358 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [2,0,0,0,0,0|2,0,0]=4 359 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [2,0,0,0,0,0|2,0,0]=4 360 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [2,0,0,0,0,0|2,0,0]=4 361 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [2,0,0,0,0,0|2,0,0]=4 363 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|0,0,0]=2 364 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|0,0,1]=3 365 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|0,0,1]=3 366 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|0,0,2]=4 370 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|0,0,1]=3 371 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|0,0,1]=3 372 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|1,0,0]=3 373 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|2,0,0]=4 374 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|2,0,0]=4 375 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|2,0,0]=4 376 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [1,1,0,0,0,0|0,0,2]=4 377 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,1,0,0,0,0|0,0,1]=3 378 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,1,0,0,0,0|0,0,1]=3 379 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,1,0,0,0,0|0,0,1]=3 380 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|0,0,2]=4 382 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,1,0,0,0,0|1,0,1]=4 383 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,1,0,0,0,0|1,0,0]=3 384 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|0,0,1]=3 385 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|0,0,2]=4 386 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|1,0,0]=3 387 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|1,0,0]=3 388 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|0,0,1]=3 389 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [1,1,0,0,0,0|0,0,2]=4 390 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,1,0,0,0,0|1,0,0]=3 391 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,1,0,0,0,0|1,0,0]=3 392 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,1,0,0,0,0|1,0,1]=4 394 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|0,0,2]=4 395 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|0,0,1]=3 396 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|0,0,1]=3 397 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|1,0,1]=4 399 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|1,0,0]=3 400 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|1,0,0]=3 401 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [1,1,0,0,0,0|0,0,2]=4 403 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [1,1,0,0,0,0|0,0,2]=4 404 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|0,0,0]=2 405 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|0,0,2]=4 406 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|0,0,2]=4 407 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|0,0,2]=4 408 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|0,0,2]=4 409 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|0,0,1]=3 410 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|0,0,1]=3 411 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|1,0,0]=3 413 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|1,0,0]=3 414 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|2,0,0]=4 415 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [1,1,0,0,0,0|1,0,0]=3 416 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [1,1,0,0,0,0|1,0,1]=4 417 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|1,0,1]=4 418 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,1,0,0,0,0|0,0,1]=3 419 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,1,0,0,0,0|1,0,1]=4 420 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,1,0,0,0,0|1,0,1]=4 421 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|0,0,2]=4 422 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,1]=3 423 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|1,0,1]=4 424 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|1,0,1]=4 425 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|1,0,0]=3 426 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|1,0,1]=4 427 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|2,0,0]=4 428 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,1,0,0,0,0|0,0,2]=4 429 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,1,0,0,0,0|0,0,2]=4 430 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,1,0,0,0,0|1,0,1]=4 431 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [1,1,0,0,0,0|1,0,1]=4 432 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [1,1,0,0,0,0|1,0,1]=4 433 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,1,0,0,0,0|1,0,0]=3 434 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,1,0,0,0,0|0,0,2]=4 435 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|0,0,2]=4 436 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,1,0,0,0,0|0,0,2]=4 437 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|0,0,2]=4 438 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|0,0,0]=2 439 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,1,0,0,0,0|1,0,0]=3 440 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|0,0,2]=4 441 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|1,0,0]=3 442 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|0,0,1]=3 443 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|0,0,1]=3 444 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,1,0,0,0,0|1,0,1]=4 445 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,1,0,0,0,0|1,0,1]=4 446 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,1,0,0,0,0|1,0,1]=4 447 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|0,0,1]=3 448 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,1,0,0,0,0|1,0,1]=4 449 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|0,0,1]=3 450 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,1,0,0,0,0|1,0,0]=3 451 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,1,0,0,0,0|1,0,0]=3 452 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,1,0,0,0,0|1,0,1]=4 453 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,1,0,0,0,0|2,0,0]=4 454 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,1,0,0,0,0|1,0,1]=4 455 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [1,1,0,0,0,0|2,0,0]=4 456 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [1,1,0,0,0,0|2,0,0]=4 457 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [1,1,0,0,0,0|1,0,1]=4 458 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,1,0,0,0,0|0,0,2]=4 459 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,1,0,0,0,0|1,0,1]=4 460 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [1,1,0,0,0,0|1,0,1]=4 461 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [1,1,0,0,0,0|1,0,0]=3 462 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [1,1,0,0,0,0|1,0,0]=3 463 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,1,0,0,0,0|0,0,1]=3 464 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,1,0,0,0,0|1,0,1]=4 465 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,1,0,0,0,0|0,0,2]=4 466 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|0,0,1]=3 467 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [1,1,0,0,0,0|1,0,1]=4 468 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,1,0,0,0,0|1,0,0]=3 469 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,1,0,0,0,0|1,0,0]=3 470 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,1,0,0,0,0|1,0,0]=3 471 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [1,1,0,0,0,0|1,1,0]=4 472 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [1,1,0,0,0,0|1,0,1]=4 473 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|1,0,1]=4 474 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [1,1,0,0,0,0|1,0,1]=4 475 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [1,1,0,0,0,0|1,0,1]=4 476 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|1,0,1]=4 477 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [1,1,0,0,0,0|1,0,0]=3 478 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [1,1,0,0,0,0|1,0,1]=4 479 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [1,1,0,0,0,0|1,0,1]=4 480 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [1,1,0,0,0,0|1,0,0]=3 481 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [1,1,0,0,0,0|1,0,0]=3 482 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [1,1,0,0,0,0|2,0,0]=4 483 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [1,1,0,0,0,0|1,0,1]=4 484 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [1,1,0,0,0,0|0,0,1]=3 485 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [1,1,0,0,0,0|1,0,1]=4 486 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [1,1,0,0,0,0|0,0,0]=2 487 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [1,1,0,0,0,0|0,0,2]=4 488 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [1,1,0,0,0,0|1,0,1]=4 489 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [1,1,0,0,0,0|1,0,0]=3 490 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [1,1,0,0,0,0|0,0,2]=4 491 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [1,1,0,0,0,0|1,0,0]=3 492 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,1,0,0,0,1|1,0,0]=3 493 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,0,0,0,1|1,0,0]=3 494 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,1,0,0,0,1|1,0,1]=4 495 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,1|1,0,1]=4 496 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,1,0,0,0,1|0,0,0]=2 497 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,1,0,0,0,1|1,0,1]=4 498 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,1,0,0,0,1|0,0,2]=4 499 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,1,0,0,0,1|0,0,2]=4 500 B10R0.6 CCCCOC(=O)NC(=O)N CNP0536572.0 [0,1,0,0,0,1|1,0,0]=3 501 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,1,0,0,0,1|0,0,0]=2 502 B10R0.44 CCC(C)CC(=O)C=C(C)C CNP0609623.0 [0,1,0,0,0,1|1,0,0]=3 503 B10R0.44 CC[C@@H](C)SC(=O)C=C(C)C CNP0157491.1 [0,1,0,0,0,1|2,0,0]=4 504 B10R0.96 CC(=O)CC(=O)CCC(=O)O CNP0178580.0 [0,1,0,0,0,1|1,0,1]=4 505 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,1,0,0,0,1|1,0,0]=3 506 B10R0.56 O=C(O)C(=O)C(O)C(O)CO CNP0112289.0 [0,2,0,0,0,0|2,0,0]=4 507 B10R0.57 C=C(CO)C(=O)CCC(=O)C CNP0190089.0 [0,2,0,0,0,0|1,0,1]=4 508 B10R0.57 CC=C(C)C(=O)NCC(C)C CNP0353529.0 [0,2,0,0,0,0|2,0,0]=4 509 B10R0.57 CC=C(C)C(=O)OCC(C)C CNP0164553.0 [0,2,0,0,0,0|2,0,0]=4 510 B10R0.82 C=C(C)C(=O)OCC(C)CC CNP0528381.0 [0,2,0,0,0,0|1,0,0]=3 511 B10R0.82 C=C[C@@H](C)CCC(=O)C(=C)C CNP0345771.1 [0,2,0,0,0,0|1,0,0]=3 512 B10R0.82 C=C[C@@H](C)CCC(=O)C(C)C CNP0311508.1 [0,2,0,0,0,0|1,0,1]=4 513 B10R0.82 C=C[C@H](C)CCC(=O)C(C)C CNP0311508.2 [0,2,0,0,0,0|1,0,1]=4 514 B10R0.82 CC[C@H](C)COC(=O)C(C)C CNP0174044.1 [0,2,0,0,0,0|1,0,1]=4 515 B10R0.82 O=C(O)C(=O)CC[C@H](O)CO CNP0119428.1 [0,2,0,0,0,0|1,0,0]=3 516 B10R0.93 C[C@H](O)C(=O)CC(=O)C(=O)O CNP0161432.1 [0,2,0,0,0,0|1,0,1]=4 517 B10R0.93 C[C@H](O)[C@H](O)CC(=O)C(=O)O CNP0445081.1 [0,2,0,0,0,0|1,0,0]=3 518 B10R0.19 CCCCC(=O)[C@@H](C)CCC CNP0177247.2 [0,2,0,0,0,0|1,0,1]=4 519 B10R0.19 CCCCC(=O)[C@H](C)CCC CNP0177247.1 [0,2,0,0,0,0|1,0,1]=4 520 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|0,0,2]=4 521 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|1,0,1]=4 522 B10R0.46 CCC(=O)/C(=C/[C@@H](C)CC)/C CNP0207497.1 [0,2,0,0,0,0|1,0,1]=4 523 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,2,0,0,0,0|1,0,1]=4 524 B10R0.46 COC(=O)CC(=O)C(=O)OC CNP0261519.0 [0,2,0,0,0,0|1,0,1]=4 525 B10R0.83 C=C(C#N)C(=O)OCCCC CNP0582934.0 [0,2,0,0,0,0|1,0,1]=4 526 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,2,0,0,0,0|1,0,0]=3 527 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,2,0,0,0,0|1,0,0]=3 528 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,2,0,0,0,0|1,0,1]=4 529 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,2,0,0,0,0|1,0,1]=4 530 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,2,0,0,0,0|1,0,1]=4 531 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,2,0,0,0,0|1,0,1]=4 532 B10R0.124 CCCCC(Br)(Br)C(=O)CBr CNP0241772.0 [0,2,0,0,0,0|1,0,1]=4 533 B10R0.124 CCCCC(Br)(Br)C(=O)CI CNP0256582.0 [0,2,0,0,0,0|1,0,1]=4 534 B10R0.17 CCCCC(=C(Br)Br)C(=O)O CNP0221796.0 [0,2,0,0,0,0|2,0,0]=4 535 B10R0.17 CCCCC(C(=O)O)C(=O)O CNP0456271.0 [0,2,0,0,0,0|1,0,1]=4 536 B10R0.86 CCCCCC(=C(C)C)CC CNP0525945.0 [0,2,0,0,0,0|2,0,0]=4 537 B10R0.86 CCCCCC(CO)C(=O)C CNP0002850.0 [0,2,0,0,0,0|0,0,2]=4 538 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,2,0,0,0,0|1,0,0]=3 539 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,2,0,0,0,0|1,0,1]=4 540 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,2,0,0,0,0|1,0,0]=3 541 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [0,2,0,0,0,0|0,0,0]=2 542 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [0,2,0,0,0,0|1,0,1]=4 543 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,2,0,0,0,0|0,0,2]=4 544 B10R0.98 O=C(O)CCCC(=O)C(=O)O CNP0300956.0 [0,2,0,0,0,0|1,0,1]=4 545 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [1,0,0,1,0,0|1,0,1]=4 546 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|1,0,1]=4 548 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|1,0,1]=4 549 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|1,0,0]=3 550 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [1,0,0,1,0,0|1,0,1]=4 551 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|2,0,0]=4 552 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|1,0,1]=4 553 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,0,0,1,0,0|1,0,1]=4 554 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,1]=4 555 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|2,0,0]=4 556 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|1,0,0]=3 557 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|1,0,1]=4 558 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,0,0,1,0,0|2,0,0]=4 559 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|0,0,1]=3 560 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|0,0,2]=4 561 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|1,0,1]=4 562 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|1,0,1]=4 563 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|0,0,1]=3 564 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|1,0,1]=4 565 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,0,0,1,0,0|0,0,2]=4 566 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,0,0,1,0,0|0,0,0]=2 567 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|0,0,2]=4 568 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [1,0,0,1,0,0|2,0,0]=4 569 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,1,0,0|2,0,0]=4 570 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [1,0,0,1,0,0|2,0,0]=4 571 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|0,0,1]=3 572 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|1,0,0]=3 573 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|1,0,0]=3 574 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [1,0,0,1,0,0|2,0,0]=4 575 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|1,0,1]=4 576 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [1,0,0,1,0,0|1,0,1]=4 577 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|0,0,1]=3 578 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,0,0,1,0,0|0,0,2]=4 579 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|1,0,0]=3 580 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [1,0,0,1,0,0|1,0,1]=4 581 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [1,0,0,1,0,0|1,0,1]=4 582 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [1,0,0,1,0,0|1,0,1]=4 583 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|1,0,1]=4 584 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|1,0,1]=4 585 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [1,0,0,1,0,0|0,0,2]=4 586 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|0,0,0]=2 587 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,1]=4 588 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,1,0,0|1,0,1]=4 589 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [1,0,0,1,0,0|2,0,0]=4 590 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|0,0,1]=3 591 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|0,0,1]=3 592 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|1,0,0]=3 593 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|1,0,1]=4 594 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,1]=3 595 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|1,0,1]=4 596 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|1,0,1]=4 597 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,1]=3 598 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|1,0,1]=4 599 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,1,0,0|1,0,0]=3 600 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [1,0,0,1,0,0|2,0,0]=4 601 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,1]=4 602 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [1,0,0,1,0,0|2,0,0]=4 603 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,1,0,0|2,0,0]=4 604 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|1,0,1]=4 605 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|1,0,1]=4 606 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [1,0,0,1,0,0|2,0,0]=4 607 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [1,0,0,1,0,0|2,0,0]=4 608 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [1,0,0,1,0,0|0,0,2]=4 609 B10R1.8 CC1=CC(=O)C[C@@H](O1)CO CNP0212942.1 [0,0,0,1,0,1|1,0,1]=4 610 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,0,0,1,0,1|0,0,1]=3 611 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [0,0,0,1,0,1|1,0,1]=4 612 B10R1.16 CCCCC1=COC(=N1)C CNP0415020.0 [0,0,0,1,0,1|1,0,1]=4 613 B10R1.16 CCCCC1=CSC(=N1)C CNP0262128.0 [0,0,0,1,0,1|1,1,0]=4 614 B10R1.16 CCCCC1=NC(=CS1)C CNP0002532.0 [0,0,0,1,0,1|1,1,0]=4 615 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,1,0,1|1,0,1]=4 616 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,1,0,1|1,0,1]=4 617 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,1,0,1|1,0,1]=4 618 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,1,0,1|1,0,1]=4 619 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,1|1,0,1]=4 620 B10R1.61 C=C(C)C1CCCCC1=C CNP0547861.0 [0,0,0,1,0,1|2,0,0]=4 621 B10R1.61 CC(=C1CCCCC1=O)C CNP0262850.0 [0,0,0,1,0,1|1,0,0]=3 622 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,0,0,1,0,1|1,0,1]=4 623 B10R1.23 CC(=O)C(C)N1CCCC1 CNP0002599.0 [0,1,0,1,0,0|1,0,1]=4 624 B10R1.34 CC[C@@H]1CC(=O)C(=C1C)O CNP0372233.1 [0,1,0,1,0,0|0,0,1]=3 625 B10R1.34 CC[C@H]1OC(=O)C(=C1C)O CNP0147555.1 [0,1,0,1,0,0|1,0,1]=4 626 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,1,0,1,0,0|0,0,2]=4 627 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|0,0,0]=2 628 B10R1.301 C[C@@H]1CCCC(C1=O)(C)C CNP0229398.1 [0,1,0,1,0,0|1,0,1]=4 629 B10R1.301 C[C@H]1CCCC(C1=O)(C)C CNP0229398.2 [0,1,0,1,0,0|1,0,1]=4 630 B10R1.13 C=C(C)C1=CC[C@@H](CC1)C CNP0206542.2 [0,1,0,1,0,0|2,0,0]=4 631 B10R1.13 C=C(C)C1=CC[C@H](CC1)C CNP0206542.1 [0,1,0,1,0,0|2,0,0]=4 632 B10R1.13 CC(=C1C=C[C@@H](CC1)C)C CNP0405385.2 [0,1,0,1,0,0|2,0,0]=4 633 B10R1.13 CC(=C1C=C[C@H](CC1)C)C CNP0405385.1 [0,1,0,1,0,0|2,0,0]=4 634 B10R1.13 CC(=C1CCC(CC1)C)C CNP0245988.0 [0,1,0,1,0,0|2,0,0]=4 635 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,1,0,0|1,0,1]=4 636 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [0,1,0,1,0,0|1,0,0]=3 637 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [0,1,0,1,0,0|1,0,1]=4 638 B10R1.147 C[C@@H]1CC(CCC1=O)(C)C CNP0194995.1 [0,1,0,1,0,0|1,0,1]=4 639 B10R1.190 C=C1CC1CC(=O)C(=O)O CNP0149634.0 [0,1,0,1,0,0|1,0,1]=4 640 B10R1.205 C=C(C)C(=O)OCC1CO1 CNP0077281.0 [0,1,0,1,0,0|2,0,0]=4 641 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|2,0,0]=4 642 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|0,0,0]=2 643 B10R1.15 CCC(=C1CCCCN1)O CNP0382476.0 [0,1,0,1,0,0|1,0,1]=4 644 B10R1.15 CCC(=O)C1=CCCCN1 CNP0358060.0 [0,1,0,1,0,0|1,0,1]=4 645 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,1,0,1,0,0|1,0,1]=4 646 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,1,0,1,0,0|1,0,1]=4 647 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,1,0,1,0,0|2,0,0]=4 648 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,1,0,0|1,0,1]=4 649 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,1,0,1,0,0|1,0,1]=4 650 B10R1.29 CCCCC1=C(SC=N1)C CNP0218284.0 [0,1,0,1,0,0|1,1,0]=4 651 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|1,0,1]=4 652 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,1,0,1,0,0|2,0,0]=4 653 B10R1.411 COC(=O)C1(CCCC1)N CNP0570869.0 [0,1,0,1,0,0|1,0,1]=4 654 B10R1.113 C=C(C)C1=CC(CCC1)C CNP0596114.0 [0,1,0,1,0,0|2,0,0]=4 655 B10R1.113 CC(=O)N1CCC[C@H](C1)C CNP0584694.1 [0,1,0,1,0,0|2,0,0]=4 656 B10R1.113 CC1=CC(=C(C)C)CCC1 CNP0149803.0 [0,1,0,1,0,0|2,0,0]=4 657 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,1,0,1,0,0|2,0,0]=4 658 B10R1.118 CC1=C[C@@H]([C@H](CC1=O)O)O CNP0198563.1 [0,1,0,1,0,0|2,0,0]=4 659 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,1,0,1,0,0|2,0,0]=4 660 B10R1.118 CC1=C[C@H]([C@@H](CC1=O)O)O CNP0198563.2 [0,1,0,1,0,0|2,0,0]=4 661 B10R2.351 CC(=C1C2C1CCC2)C CNP0609783.0 [0,0,0,2,0,0|2,0,0]=4 662 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,0,0,0,0,2|0,0,0]=2 663 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,0,0,0,0,2|1,0,0]=3 664 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,0,0,0,0,2|1,0,1]=4 665 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,0,0,0,0,2|1,0,0]=3