0 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,0,0,0,0,0|0,0,2]=3 25 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,0,0,0,0,0|0,0,0]=1 29 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,0,0,0,0,0|1,0,0]=2 32 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,0,0,0,0,0|1,0,0]=2 33 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [1,0,0,0,0,0|1,0,0]=2 35 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [1,0,0,0,0,0|1,2,0]=4 36 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.6 CCCSSC(C)CC CNP0570615.0 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,0,0,0,0,0|0,0,2]=3 43 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,0,0,0,0,0|0,0,2]=3 44 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,0,0,0,0,0|0,0,2]=3 45 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,0,0,0,0,0|0,0,0]=1 46 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,0,0,0,0,0|0,0,0]=1 47 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,0,0,0,0,0|1,0,0]=2 49 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,0,0,0,0,0|0,0,0]=1 52 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [1,0,0,0,0,0|0,0,2]=3 53 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,0,0,0,0,0|1,0,0]=2 54 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [1,0,0,0,0,0|1,0,2]=4 55 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [1,0,0,0,0,0|3,0,0]=4 58 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,1,0,0,0,0|1,0,1]=3 59 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,1,0,0,0,0|2,0,0]=3 60 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,1,0,0,0,0|1,0,0]=2 61 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,1,0,0,0,0|1,0,1]=3 62 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,1,0,0,0,0|0,0,0]=1 64 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.26 CCOC(=O)C=C(C)C(C)C CNP0344485.0 [0,1,0,0,0,0|0,0,2]=3 66 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,1,0,0,0,0|1,0,1]=3 67 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,1,0,0,0,0|2,0,1]=4 68 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,1,0,0,0,0|0,0,0]=1 69 B10R0.44 C=C[C@@H](C)CC(=O)CC(C)C CNP0350392.1 [0,1,0,0,0,0|1,0,2]=4 70 B10R0.44 C=C[C@H](C)CC(=O)CC(C)C CNP0350392.2 [0,1,0,0,0,0|1,0,2]=4 71 B10R0.44 CCC(C)CC(=O)C=C(C)C CNP0609623.0 [0,1,0,0,0,0|1,0,1]=3 72 B10R0.44 CC[C@@H](C)SC(=O)C=C(C)C CNP0157491.1 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.44 CC[C@@H](C)SC(=O)CC(C)C CNP0382441.1 [0,1,0,0,0,0|2,0,0]=3 74 B10R0.44 CC[C@H](C)C[C@H](C)CC(C)C CNP0312404.1 [0,1,0,0,0,0|2,0,1]=4 75 B10R0.46 CCC(=O)/C(=C/[C@@H](C)CC)/C CNP0207497.1 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.46 CC[C@@H](C)SC(=O)[C@H](C)CC CNP0265928.1 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,0,0,1,0,0|2,0,1]=4 79 B10R1.8 CC[C@@H]1C[C@@H](C[C@@H](C1)C)C CNP0177504.1 [0,0,0,1,0,0|2,0,1]=4 80 B10R1.10 CCOC1CN(CCO1)C CNP0000083.0 [0,0,0,1,0,0|1,0,2]=4 81 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,0,0,1,0,0|1,0,0]=2 82 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,0,0,1,0,0|1,0,0]=2 83 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,0,1,0,0|2,0,0]=3 84 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.475 CC[C@@]1(CC(=O)NC1=O)C CNP0594000.1 [0,0,0,1,0,0|2,0,1]=4 86 B10R1.475 CC[C@]1(CC(=O)NC1=O)C CNP0594000.2 [0,0,0,1,0,0|2,0,1]=4 87 B10R1.485 C=C[C@@]1(CCOC(=O)C1)O CNP0311946.1 [0,0,0,1,0,0|1,0,2]=4 88 B10R1.485 C=C[C@]1(CCOC(=O)C1)O CNP0311946.2 [0,0,0,1,0,0|1,0,2]=4 89 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,0,0,0,1,0|1,0,1]=3 90 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,0,0,0,1,0|1,0,1]=3 91 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,0,0,0,1,0|0,0,2]=3 92 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,0,0,0,1,0|2,0,1]=4 93 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,0,0,0,1,0|1,0,0]=2 94 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,0,0,0,1,0|2,0,1]=4 95 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,0,0,0,1,0|2,0,1]=4 96 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,0,0,0,1,0|2,0,1]=4 97 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,0,0,0,1,0|2,0,1]=4 98 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,0,0,0,1,0|1,0,1]=3 99 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,0,0,0,1,0|1,0,1]=3 100 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,0,0,0,1,0|0,0,0]=1 101 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,0,0,0,1,0|2,0,0]=3 102 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,0,0,0,1,0|2,0,0]=3 103 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,0,0,0,1,0|0,0,0]=1 104 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,0,0,0,1,0|2,0,0]=3 105 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,0,0,0,1,0|2,0,1]=4 106 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,0,0,0,0,1|1,0,0]=2 107 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,0,0,0,0,1|3,0,0]=4 108 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,0,0,0,0,1|3,0,0]=4 109 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,0,0,0,0,1|2,0,1]=4 110 B7R0.1 CCC#CCCCC CNP0602501.0 [2,0,0,0,0,0|1,0,1]=4 111 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|1,0,1]=4 114 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|2,0,0]=4 115 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|0,0,1]=3 117 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|1,0,0]=3 118 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [2,0,0,0,0,0|0,0,2]=4 119 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [2,0,0,0,0,0|0,0,2]=4 120 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.3 CCC(=O)OCCO CNP0095595.0 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.3 CCC(C)CCCO CNP0251541.0 [2,0,0,0,0,0|1,0,1]=4 123 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [2,0,0,0,0,0|0,0,2]=4 124 B7R0.3 CCCC=C(C)CC CNP0263169.0 [2,0,0,0,0,0|1,0,1]=4 125 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|0,0,0]=2 126 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|0,0,0]=2 127 B7R0.3 CCCCC(C)CO CNP0563062.0 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [2,0,0,0,0,0|0,0,1]=3 129 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [2,0,0,0,0,0|0,0,1]=3 130 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.3 CCCOC(=O)CC CNP0296678.0 [2,0,0,0,0,0|1,0,0]=3 133 B7R0.3 CCOCC(=O)OC CNP0306071.0 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.3 CCSSC(C)CC CNP0075907.0 [2,0,0,0,0,0|1,1,0]=4 136 B7R0.3 COC(=O)CCC#N CNP0076214.0 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.3 COC(=O)CCC=O CNP0246367.0 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.3 COC(=O)CCSC CNP0302353.0 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.7 C=C(CCC)CCC CNP0515689.0 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.7 C=C(OCC)OCC CNP0510072.0 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [2,0,0,0,0,0|0,0,2]=4 142 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|1,0,1]=4 143 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [2,0,0,0,0,0|0,0,2]=4 144 B7R0.7 CCC=C(C)CCC CNP0345457.0 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.7 CCCC(=O)CCC CNP0310318.0 [2,0,0,0,0,0|1,0,0]=3 146 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|0,0,0]=2 147 B7R0.7 CCCC(=S)OCC CNP0612025.0 [2,0,0,0,0,0|0,1,0]=3 148 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.7 CCOC(=O)CCS CNP0347470.0 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|1,0,0]=3 152 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|1,0,0]=3 153 B7R0.7 CCOP(=O)OCC CNP0575132.0 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [2,0,0,0,0,0|1,0,1]=4 155 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [2,0,0,0,0,0|1,0,0]=3 156 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [2,0,0,0,0,0|0,0,2]=4 157 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [2,0,0,0,0,0|0,0,2]=4 158 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [2,0,0,0,0,0|0,0,2]=4 159 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [2,0,0,0,0,0|0,0,2]=4 160 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [2,0,0,0,0,0|1,0,1]=4 161 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [2,0,0,0,0,0|0,0,0]=2 162 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [2,0,0,0,0,0|1,0,0]=3 163 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [2,0,0,0,0,0|0,0,0]=2 164 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [2,0,0,0,0,0|0,0,0]=2 165 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [2,0,0,0,0,0|1,0,0]=3 166 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [2,0,0,0,0,0|1,0,0]=3 168 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [2,0,0,0,0,0|0,0,0]=2 169 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [2,0,0,0,0,0|1,0,1]=4 170 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [2,0,0,0,0,0|1,0,0]=3 173 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [2,0,0,0,0,0|0,0,2]=4 174 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [2,0,0,0,0,0|0,0,0]=2 176 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [2,0,0,0,0,0|1,0,0]=3 177 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [2,0,0,0,0,0|1,0,0]=3 178 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [2,0,0,0,0,0|1,0,0]=3 179 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [2,0,0,0,0,0|1,0,0]=3 180 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [2,0,0,0,0,0|1,0,0]=3 181 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [2,0,0,0,0,0|1,0,0]=3 182 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [2,0,0,0,0,0|0,1,0]=3 183 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [2,0,0,0,0,0|2,0,0]=4 184 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [2,0,0,0,0,0|2,0,0]=4 185 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [2,0,0,0,0,0|2,0,0]=4 186 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [2,0,0,0,0,0|2,0,0]=4 188 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [2,0,0,0,0,0|2,0,0]=4 190 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|2,0,0]=4 191 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|2,0,0]=4 192 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|2,0,0]=4 193 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|1,0,1]=4 194 B7R0.4 CCCNCC(C)C CNP0333564.0 [2,0,0,0,0,0|2,0,0]=4 195 B7R0.4 CCCSCC(C)C CNP0116113.0 [2,0,0,0,0,0|2,0,0]=4 196 B7R0.4 CCNCCC(C)C CNP0184897.0 [2,0,0,0,0,0|1,0,1]=4 197 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|0,0,1]=3 198 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [1,1,0,0,0,0|1,0,1]=4 199 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,1,0,0,0,0|0,0,0]=2 201 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [1,1,0,0,0,0|2,0,0]=4 202 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [1,1,0,0,0,0|0,0,1]=3 203 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [1,1,0,0,0,0|0,0,2]=4 204 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,1,0,0,0,0|1,0,1]=4 205 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,1,0,0,0,0|1,0,1]=4 206 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,1,0,0,0,0|1,0,1]=4 207 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [1,1,0,0,0,0|0,0,1]=3 208 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|1,0,1]=4 209 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,1,0,0,0,0|0,0,1]=3 210 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,1,0,0,0,0|1,0,0]=3 211 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,1,0,0,0,0|2,0,0]=4 212 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|0,0,0]=2 213 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,1,0,0,0,0|1,0,0]=3 214 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [1,1,0,0,0,0|1,0,1]=4 215 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [1,1,0,0,0,0|0,0,1]=3 216 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,1,0,0,0,0|0,0,0]=2 217 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [1,1,0,0,0,0|2,0,0]=4 218 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [1,1,0,0,0,0|2,0,0]=4 219 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [1,1,0,0,0,0|0,0,1]=3 220 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,1,0,0,0,0|1,0,0]=3 221 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [1,1,0,0,0,0|0,0,0]=2 222 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [1,1,0,0,0,0|2,0,0]=4 223 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [1,1,0,0,0,0|2,0,0]=4 224 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [1,1,0,0,0,0|0,0,2]=4 225 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [1,1,0,0,0,0|0,0,2]=4 226 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [1,1,0,0,0,0|0,0,2]=4 227 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [1,1,0,0,0,0|1,0,1]=4 228 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [1,1,0,0,0,0|1,0,0]=3 229 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [1,1,0,0,0,0|0,0,0]=2 230 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [1,1,0,0,0,0|1,0,1]=4 231 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [1,1,0,0,0,0|2,0,0]=4 232 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|1,0,1]=4 233 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [1,1,0,0,0,0|2,0,0]=4 234 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [1,1,0,0,0,0|2,0,0]=4 235 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [1,1,0,0,0,0|0,0,2]=4 236 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|0,0,1]=3 237 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [1,1,0,0,0,0|1,0,1]=4 238 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [1,1,0,0,0,0|1,0,1]=4 239 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,1,0,0,0,0|0,0,0]=2 240 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [1,1,0,0,0,0|2,0,0]=4 241 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [1,1,0,0,0,0|1,0,0]=3 242 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [1,1,0,0,0,0|1,0,1]=4 243 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [1,1,0,0,0,0|0,0,1]=3 244 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [1,1,0,0,0,0|1,0,1]=4 246 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [1,1,0,0,0,0|1,0,0]=3 247 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [1,1,0,0,0,0|0,0,0]=2 248 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [1,1,0,0,0,0|0,0,0]=2 249 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [1,1,0,0,0,0|1,0,0]=3 250 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [1,1,0,0,0,0|2,0,0]=4 251 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [1,1,0,0,0,0|2,0,0]=4 252 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [1,1,0,0,0,0|0,0,0]=2 253 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [1,1,0,0,0,0|0,0,2]=4 254 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [1,1,0,0,0,0|1,0,0]=3 255 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [1,1,0,0,0,0|0,0,0]=2 256 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [1,1,0,0,0,0|0,1,0]=3 257 B9R0.53 CC(C)NC(=O)NC(C)C CNP0313716.0 [1,1,0,0,0,0|2,0,0]=4 258 B9R0.53 CC(C)OP(=O)OC(C)C CNP0511332.0 [1,1,0,0,0,0|2,0,0]=4 259 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [1,1,0,0,0,0|1,0,0]=3 260 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [1,1,0,0,0,0|1,0,1]=4 261 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,1,0,0,0,0|1,0,1]=4 262 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [1,1,0,0,0,0|1,0,1]=4 263 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,1,0,0,0,0|1,0,1]=4 264 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,1,0,0,0,0|1,0,1]=4 265 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [1,1,0,0,0,0|1,0,1]=4 267 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|1,0,1]=4 268 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [1,1,0,0,0,0|1,0,1]=4 269 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [1,1,0,0,0,0|1,0,1]=4 270 B9R0.50 C=CC(CC)CC=CCC CNP0580048.0 [1,1,0,0,0,0|1,0,1]=4 271 B9R0.22 CCC(C)CC(C)(C)CC CNP0084850.0 [1,1,0,0,0,0|1,0,1]=4 272 B9R0.26 CC/C(=N\O)/C[C@@H](C)CC CNP0382804.1 [1,1,0,0,0,0|0,0,1]=3 273 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [1,1,0,0,0,0|0,0,1]=3 274 B9R0.27 CCC(=O)[C@@H](C)[C@@H](O)CC CNP0412913.2 [1,1,0,0,0,0|1,0,0]=3 275 B9R0.27 CCC(=O)[C@H](C)[C@H](O)CC CNP0412913.1 [1,1,0,0,0,0|1,0,0]=3 276 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [1,1,0,0,0,0|0,0,1]=3 277 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [1,1,0,0,0,0|1,0,0]=3 278 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [1,1,0,0,0,0|0,0,0]=2 279 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [1,1,0,0,0,0|0,0,0]=2 280 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [1,1,0,0,0,0|1,0,0]=3 281 B9R0.42 COC(=O)C=C(C)C(C)C CNP0417930.0 [1,1,0,0,0,0|0,0,2]=4 282 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [1,1,0,0,0,0|0,0,1]=3 283 B9R0.19 CCOC(=O)C(C)(O)CC CNP0222840.0 [0,1,0,0,1,0|0,0,0]=2 284 B9R0.37 CCOC(=O)C(CC)CC CNP0165107.0 [0,1,0,0,1,0|0,0,0]=2 285 B9R0.37 CCOC(=O)[C@@H](CC)NC CNP0599736.1 [0,1,0,0,1,0|0,0,0]=2 286 B9R0.37 CCOC(=O)[C@H](CC)NC CNP0599736.2 [0,1,0,0,1,0|0,0,0]=2 287 B11R0.9 CCOC(=O)CCC(OC)OC CNP0278348.0 [0,1,0,0,0,1|1,0,0]=3 288 B11R0.43 CCOC(=O)C(=O)CC(=O)CC CNP0113615.0 [0,1,0,0,0,1|1,0,1]=4 289 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,1,0,0,0,1|1,0,1]=4 290 B11R0.70 CCCCC(=O)OCC(C)CC CNP0444894.0 [0,1,0,0,0,1|1,0,0]=3 291 B11R0.107 CCC(C)COC(=O)C=C(C)C CNP0003238.0 [0,1,0,0,0,1|1,0,1]=4 292 B11R0.107 CCC(C)COC(=O)CC(C)C CNP0079769.0 [0,1,0,0,0,1|1,0,0]=3 293 B11R0.120 CC=C(C)C(=O)OCC(C)CC CNP0537629.0 [0,1,0,0,0,1|1,0,1]=4 294 B11R0.120 CC[C@@H](C)COC(=O)[C@H](C)CC CNP0303745.3 [0,1,0,0,0,1|1,0,0]=3 295 B11R0.120 CC[C@H](C)COC(=O)[C@@H](C)CC CNP0303745.2 [0,1,0,0,0,1|1,0,0]=3 296 B11R0.120 CC[C@H](C)COC(=O)[C@H](C)CC CNP0303745.1 [0,1,0,0,0,1|1,0,0]=3 297 B11R0.1 CCOC(=O)C[C@@H](C)NC(=O)C CNP0207369.1 [0,2,0,0,0,0|0,0,1]=3 298 B11R0.1 CCOC(=O)C[C@@H](C)O[N+](=O)[O-] CNP0546718.1 [0,2,0,0,0,0|2,0,0]=4 299 B11R0.1 CCOC(=O)C[C@H](C)O[N+](=O)[O-] CNP0546718.2 [0,2,0,0,0,0|2,0,0]=4 300 B11R0.5 CCCCC(C)OC(=O)CCC CNP0547746.0 [0,2,0,0,0,0|2,0,0]=4 301 B11R0.177 CCOC(=O)C(O)C(=O)OCC CNP0135851.0 [0,2,0,0,0,0|1,0,1]=4 302 B11R0.10 CCOC(=O)CC(C)(C)C(C)C CNP0525560.0 [0,2,0,0,0,0|0,0,0]=2 303 B11R0.83 CCC(C)(C)CC(=O)NCCS CNP0344318.0 [0,2,0,0,0,0|1,0,0]=3 304 B11R0.122 CCOC(=O)C(Br)C(C)(O)CC CNP0499844.0 [0,2,0,0,0,0|0,0,0]=2 305 B11R0.72 CSC(CC(=O)NCCO)SC CNP0152569.0 [0,2,0,0,0,0|2,0,0]=4 306 B11R0.93 CSC(C)CC(=O)OCC(C)C CNP0003257.0 [0,2,0,0,0,0|1,0,0]=3 307 B11R0.54 CCOC(=O)CC(=O)C(C)(C)C CNP0542395.0 [0,2,0,0,0,0|1,0,1]=4 308 B11R0.119 C[C@@H](CO)NC(=O)OC(C)(C)C CNP0156673.1 [0,2,0,0,0,0|2,0,0]=4 309 B11R0.119 C[C@H](CO)NC(=O)OC(C)(C)C CNP0156673.2 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,1,0,0|2,0,0]=4 312 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,1,0,0|2,0,0]=4 313 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,1,0,0|2,0,0]=4 314 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|1,0,1]=4 315 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|1,0,0]=3 316 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|2,0,0]=4 317 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|2,0,0]=4 318 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [1,0,0,1,0,0|2,0,0]=4 319 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [1,0,0,1,0,0|1,0,1]=4 320 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [1,0,0,1,0,0|2,0,0]=4 321 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [1,0,0,1,0,0|2,0,0]=4 322 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [1,0,0,1,0,0|2,0,0]=4 323 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|1,0,0]=3 324 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|0,0,0]=2 325 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [1,0,0,1,0,0|1,0,1]=4 326 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [1,0,0,1,0,0|2,0,0]=4 327 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|1,0,0]=3 328 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [1,0,0,1,0,0|0,0,2]=4 329 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [1,0,0,1,0,0|0,0,0]=2 330 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [1,0,0,1,0,0|0,0,0]=2 331 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [1,0,0,1,0,0|1,0,0]=3 332 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [1,0,0,1,0,0|2,0,0]=4 333 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [1,0,0,1,0,0|1,0,1]=4 334 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [1,0,0,1,0,0|1,1,0]=4 335 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [1,0,0,1,0,0|1,1,0]=4 336 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [1,0,0,1,0,0|1,0,0]=3 337 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [1,0,0,1,0,0|1,0,0]=3 338 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [1,0,0,1,0,0|1,0,1]=4 339 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [1,0,0,1,0,0|1,0,1]=4 340 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [1,0,0,1,0,0|1,0,0]=3 341 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [1,0,0,1,0,0|1,0,0]=3 342 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [1,0,0,1,0,0|1,0,0]=3 343 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [1,0,0,1,0,0|1,0,0]=3 344 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [1,0,0,1,0,0|1,0,1]=4 345 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [1,0,0,1,0,0|1,0,1]=4 346 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [1,0,0,1,0,0|1,0,1]=4 347 B9R1.11 CCC(C)C1=COCC1 CNP0578836.0 [1,0,0,1,0,0|0,0,1]=3 348 B9R1.11 CCC(C)C1C=COC1 CNP0612000.0 [1,0,0,1,0,0|2,0,0]=4 349 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|1,0,1]=4 350 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [1,0,0,1,0,0|1,0,1]=4 351 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [1,0,0,1,0,0|0,0,2]=4 352 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [1,0,0,1,0,0|1,0,1]=4 353 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [1,0,0,1,0,0|2,0,0]=4 354 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [1,0,0,1,0,0|2,0,0]=4 355 B9R1.37 C[C@H]1[C@@H]([C@H](C[C@@H]1C)C)C CNP0315068.1 [1,0,0,1,0,0|1,0,1]=4 356 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [1,0,0,1,0,0|0,0,0]=2 357 B9R1.74 CCOC(=O)C1(CC1)N CNP0409533.0 [0,0,0,1,1,0|1,0,0]=3 358 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,0,0,1,0,1|1,0,1]=4 359 B11R1.15 CCOC(=O)[C@@H]1CCC(=N1)O CNP0524043.1 [0,0,0,1,0,1|1,0,1]=4 360 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [0,0,0,1,0,1|1,0,1]=4 361 B11R1.15 CCOC(=O)[C@H]1CCC(=N1)O CNP0524043.2 [0,0,0,1,0,1|1,0,1]=4 362 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [0,0,0,1,0,1|1,0,1]=4 363 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C CNP0362437.1 [0,1,0,1,0,0|1,0,1]=4 364 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|1,0,0]=3 365 B11R1.563 C[C@@H]1CCO[C@H](CC(=O)C1)O CNP0173979.1 [0,1,0,1,0,0|2,0,0]=4 366 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|1,0,0]=3 367 B11R1.1251 C/C=C/[C@@]1(CCOC(=O)C1)O CNP0458974.2 [0,1,0,1,0,0|1,0,1]=4 368 B11R1.1251 C/C=C/[C@]1(CCOC(=O)C1)O CNP0458974.1 [0,1,0,1,0,0|1,0,1]=4 369 B11R1.1251 CCO[P@@]1(=O)CCC[C@@H](C1)C CNP0060412.1 [0,1,0,1,0,0|1,0,0]=3 370 B11R1.1251 CCO[P@@]1(=O)CCC[C@H](C1)C CNP0060412.2 [0,1,0,1,0,0|1,0,0]=3 371 B11R1.1251 CCO[P@]1(=O)CCC[C@@H](C1)C CNP0060412.3 [0,1,0,1,0,0|1,0,0]=3 372 B11R1.1251 CCO[P@]1(=O)CCC[C@H](C1)C CNP0060412.4 [0,1,0,1,0,0|1,0,0]=3 373 B11R1.325 CC1CC(=O)CC(C1C)(C)C CNP0465288.0 [0,1,0,1,0,0|1,0,0]=3 374 B11R1.325 CC1CC(=O)CC(C1O)(C)C CNP0611899.0 [0,1,0,1,0,0|2,0,0]=4 375 B11R1.1180 CCC1(CC(=O)NC(=O)C1)C CNP0086299.0 [0,1,0,1,0,0|1,0,1]=4 376 B11R1.9 CCC1=CC(=O)C[C@@H](O1)CC CNP0423293.1 [0,1,0,1,0,0|2,0,0]=4 377 B11R1.222 CCC(C)C1CCCCC1=O CNP0002485.0 [0,1,0,1,0,0|1,0,0]=3 378 B11R1.74 CC1=CC(=O)CC(C1)C(C)C CNP0270583.0 [0,1,0,1,0,0|1,0,1]=4 379 B11R1.32 CC1OC(=O)C(C(C1O)O)O CNP0022618.0 [0,1,0,1,0,0|2,0,0]=4 380 B11R1.32 C[C@@H]1[C@@H]([C@H](C(=O)O[C@@H]1C)C)O CNP0311543.2 [0,1,0,1,0,0|1,0,0]=3 381 B11R1.32 C[C@@H]1[C@@H]([C@H](C(=O)O[C@H]1C)C)O CNP0311543.1 [0,1,0,1,0,0|1,0,0]=3 382 B11R1.157 CC(C)O[C@@H]1CCC[C@@H](C1)C CNP0180292.2 [0,1,0,1,0,0|1,0,1]=4 383 B11R1.157 CC(C)O[C@H]1CCC[C@@H](C1)C CNP0180292.1 [0,1,0,1,0,0|1,0,1]=4 384 B11R1.166 C=C(C)[C@@H]1CC[C@@H](CC1=O)C CNP0179926.4 [0,1,0,1,0,0|1,0,1]=4 385 B11R1.166 C=C(C)[C@@H]1CC[C@H](CC1=O)C CNP0179926.1 [0,1,0,1,0,0|1,0,1]=4 386 B11R1.166 C=C(C)[C@H]1CC[C@@H](CC1=O)C CNP0179926.2 [0,1,0,1,0,0|1,0,1]=4 387 B11R1.166 C=C(C)[C@H]1CC[C@H](CC1=O)C CNP0179926.3 [0,1,0,1,0,0|1,0,1]=4 388 B11R1.166 CC(=C1CC[C@@H](CC1=O)C)C CNP0270635.2 [0,1,0,1,0,0|1,0,1]=4 389 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C CNP0270635.1 [0,1,0,1,0,0|1,0,1]=4 390 B11R1.166 CC(=O)[C@@H]1CC[C@@H](CC1=O)C CNP0076630.1 [0,1,0,1,0,0|1,0,1]=4 391 B11R1.166 CC(C)C1=CC[C@@H](CC1=O)C CNP0370138.1 [0,1,0,1,0,0|1,0,1]=4 392 B11R1.166 CC(C)C1CC[C@H](CC1=O)C CNP0219935.2 [0,1,0,1,0,0|1,0,0]=3 393 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C CNP0219935.5 [0,1,0,1,0,0|1,0,0]=3 394 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C CNP0219935.1 [0,1,0,1,0,0|1,0,0]=3 395 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C CNP0219935.3 [0,1,0,1,0,0|1,0,0]=3 396 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C CNP0219935.4 [0,1,0,1,0,0|1,0,0]=3 397 B11R1.166 CC1CCC(=C(C1)O)C(C)C CNP0029188.0 [0,1,0,1,0,0|1,0,1]=4 398 B11R1.166 CC1CCC(C(=S)C1)C(C)C CNP0266622.0 [0,1,0,1,0,0|1,1,0]=4 399 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,2,0,0|2,0,0]=4 400 B11R2.432 CN1[C@@H]2CC[C@@H]1CC(=O)C2 CNP0203544.3 [0,0,0,2,0,0|2,0,0]=4 401 B11R2.432 CN1[C@@H]2CC[C@H]1CC(=O)C2 CNP0203544.2 [0,0,0,2,0,0|2,0,0]=4 402 B11R2.432 CN1[C@H]2CC[C@H]1CC(=O)C2 CNP0203544.4 [0,0,0,2,0,0|2,0,0]=4 403 B11R2.89 COOC1=CC2C(C2C1)C CNP0368255.0 [0,0,0,2,0,0|2,0,0]=4 404 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,0,0,0,1,0|0,0,2]=4 405 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,0,0,0,1,0|1,0,0]=3 406 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,0,0,1,0|2,0,0]=4 407 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,0,0,1,0|2,0,0]=4 408 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,0,0,1,0|1,0,1]=4 409 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [1,0,0,0,1,0|2,0,0]=4 410 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,0,0,0,1,0|0,0,0]=2 411 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,0,0,0,1,0|1,0,0]=3 412 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [1,0,0,0,1,0|2,0,0]=4 413 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,0,0,1,0|1,0,0]=3 414 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,0,0,0,1,0|2,0,0]=4 415 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [1,0,0,0,1,0|2,0,0]=4 416 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,0,0,1,0|1,0,0]=3 417 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,0,0,0,1,0|0,0,2]=4 418 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,0,0,0,1,0|0,0,2]=4 419 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [1,0,0,0,1,0|0,0,2]=4 420 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,0,0,0,1,0|1,0,1]=4 421 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,0,0,0,1,0|0,0,0]=2 422 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,0,0,0,1,0|0,0,0]=2 423 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,0,0,0,1,0|1,0,0]=3 424 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,0,0,0,1,0|0,0,0]=2 425 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [1,0,0,0,1,0|1,0,1]=4 426 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [1,0,0,0,1,0|0,0,2]=4 427 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,0,0,0,1,0|0,0,0]=2 428 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,0,0,0,1,0|1,0,0]=3 429 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,0,0,0,1,0|1,0,0]=3 430 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,0,0,0,1,0|1,0,0]=3 431 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [1,0,0,0,1,0|2,0,0]=4 432 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [1,0,0,0,1,0|2,0,0]=4 433 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [1,0,0,0,1,0|2,0,0]=4 434 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [1,0,0,0,1,0|1,0,1]=4 435 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [1,0,0,0,1,0|2,0,0]=4 436 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [1,0,0,0,1,0|2,0,0]=4 437 B11R0.174 CCCC(=O)OCCC(C)CC CNP0235877.0 [0,0,0,0,0,2|1,0,0]=3