0 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,0,0,0,0,0|2,1,1]=4 5 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,0,0,0,0,0|1,0,1]=2 15 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.1 CCCC#CCCC CNP0381743.0 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.1 CCCC=CCCC CNP0541880.0 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.1 CCCC=CCCO CNP0287313.0 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|0,0,1]=2 39 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|1,1,1]=4 41 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.1 CCCSSCCC CNP0328321.0 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.1 CCCSSSCC CNP0094065.0 [1,0,0,0,0,0|2,1,0]=4 45 B7R0.1 CCNCCCCN CNP0107714.0 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.1 CCNCCNCC CNP0103183.0 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.1 CCSCSSCC CNP0079298.0 [1,0,0,0,0,0|2,1,0]=4 48 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|0,0,2]=3 51 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|0,0,2]=3 52 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|0,0,0]=1 59 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|0,0,0]=1 60 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|0,0,2]=3 66 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [1,0,0,0,0,0|1,1,1]=4 67 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [1,0,0,0,0,0|1,1,1]=4 68 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,0,0,0,0,0|1,1,1]=4 70 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|1,0,1]=3 74 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,0,0,0,0,0|0,0,2]=3 79 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,0,0,0,0|0,0,2]=3 82 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,0,0,0,0|0,0,0]=1 85 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,0,0,0,0|0,1,0]=2 86 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,0,0,0,0,0|1,1,1]=4 89 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,0,0,0,0|1,0,1]=3 90 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,0,0,0,0,0|1,0,2]=4 92 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,0,0,0,0,0|1,0,2]=4 93 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,0,0,0,0|1,0,0]=2 94 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,0,0,0,0|1,0,0]=2 95 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,0,0,0,0|1,0,0]=2 96 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,0,0,0,0|1,0,0]=2 97 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,0,0,0,0,0|2,0,0]=3 99 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,0,0,0,0|1,0,1]=3 101 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,1,0,0,0,0|0,0,0]=1 102 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [0,1,0,0,0,0|1,0,2]=4 103 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,1,0,0,0,0|1,0,2]=4 104 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [0,1,0,0,0,0|1,0,2]=4 105 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|1,0,2]=4 107 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,1,0,0,0,0|0,0,1]=2 108 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|0,0,2]=3 109 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,1,0,0,0,0|1,0,2]=4 110 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|1,0,1]=3 111 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,0,0,0,0|1,0,1]=3 112 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,1,0,0,0,0|0,0,3]=4 113 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|1,0,1]=3 114 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,1,0,0,0,0|0,0,1]=2 115 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,0,0,0,0|1,0,1]=3 116 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|0,0,1]=2 117 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|0,0,0]=1 120 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,1,0,0,0,0|1,0,2]=4 122 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|1,0,0]=2 123 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,1,0,0,0,0|1,0,1]=3 124 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,1,0,0,0,0|0,0,1]=2 125 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|0,0,0]=1 126 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,1,0,0,0,0|1,0,2]=4 131 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,1,0,0,0,0|1,0,2]=4 132 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,1,0,0,0,0|2,0,0]=3 133 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [0,1,0,0,0,0|3,0,0]=4 134 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,1,0,0,0,0|0,0,1]=2 135 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [0,1,0,0,0,0|1,0,2]=4 136 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,1,0,0,0,0|1,0,2]=4 137 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,1,0,0,0,0|1,0,0]=2 138 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,1,0,0,0,0|0,0,0]=1 139 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [0,1,0,0,0,0|2,0,0]=3 142 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,1,0,0,0,0|1,0,0]=2 145 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,0,0,0,0|0,0,0]=1 146 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,0,0,0,0|0,0,0]=1 147 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,1,0,0,0,0|0,0,2]=3 148 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [0,1,0,0,0,0|0,0,3]=4 149 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,1,0,0,0,0|0,0,2]=3 150 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,1,0,0,0,0|0,0,2]=3 151 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,1,0,0,0,0|1,0,1]=3 152 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,1,0,0,0,0|1,0,0]=2 153 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [0,1,0,0,0,0|1,0,2]=4 154 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,1,0,0,0,0|0,0,0]=1 155 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,1,0,0,0,0|1,0,1]=3 156 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [0,1,0,0,0,0|2,0,0]=3 157 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [0,1,0,0,0,0|2,0,1]=4 158 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,0,0,0,0|1,0,1]=3 161 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,1,0,0,0,0|2,0,1]=4 162 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,1,0,0,0,0|2,0,0]=3 163 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,1,0,0,0,0|2,0,0]=3 164 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,1,0,0,0,0|1,0,2]=4 165 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,1,0,0,0,0|0,0,2]=3 166 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [0,1,0,0,0,0|1,0,2]=4 167 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,1,0,0,0,0|0,0,1]=2 168 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,1,0,0,0,0|1,0,1]=3 169 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,1,0,0,0,0|1,0,1]=3 170 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,1,0,0,0,0|0,0,0]=1 171 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,1,0,0,0,0|2,0,0]=3 172 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,1,0,0,0,0|1,0,0]=2 173 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,1,0,0,0,0|1,1,1]=4 174 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,0,0,1,0,0|2,0,1]=4 175 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,0,0,1,0,0|2,0,0]=3 176 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,0,0,1,0,0|1,0,2]=4 177 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,0,0,1,0,0|2,0,1]=4 179 B9R1.8 CC#CC1=CCCCC1 CNP0572321.0 [0,0,0,1,0,0|2,0,1]=4 180 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [0,0,0,1,0,0|2,0,1]=4 181 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,0,0,1,0,0|2,0,0]=3 182 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,0,0,1,0,0|2,0,0]=3 183 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,0,0,1,0,0|2,0,1]=4 184 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,0,0,1,0,0|3,0,0]=4 185 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,0,0,1,0,0|2,0,1]=4 187 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,0,0,1,0,0|1,0,2]=4 188 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,0,0,1,0,0|2,0,1]=4 190 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [0,0,0,1,0,0|1,1,1]=4 191 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,0,0,1,0,0|1,0,1]=3 192 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,0,0,1,0,0|1,0,0]=2 193 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,0,0,1,0,0|2,0,1]=4 194 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,0,0,1,0,0|2,0,0]=3 195 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,0,0,1,0,0|2,0,0]=3 196 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,0,0,1,0,0|3,0,0]=4 197 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,0,0,1,0,0|2,0,0]=3 198 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [0,0,0,1,0,0|2,0,1]=4 199 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,0,0,1,0,0|2,0,1]=4 200 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,0,0,1,0,0|1,0,1]=3 201 B9R1.27 CCN1C(=O)CCC1=O CNP0304586.0 [0,0,0,1,0,0|2,0,1]=4 202 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,0,0,1,0,0|2,0,0]=3 203 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,0,0,1,0,0|2,0,1]=4 204 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,0,0,1,0,0|2,0,0]=3 205 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,0,0,1,0,0|2,0,0]=3 206 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,1,0,0|2,0,1]=4 207 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,0|1,0,0]=2 208 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,1,0,0|0,0,0]=1 209 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,1,0,0|1,0,1]=3 211 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|2,0,0]=3 212 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,1,0,0|2,0,1]=4 213 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|1,0,0]=2 214 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,0,0,1,0,0|0,0,2]=3 215 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,0,0,1,0,0|1,0,2]=4 216 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,0,0,1,0,0|3,0,0]=4 217 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,0,0,1,0,0|1,0,2]=4 218 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,0,0,1,0,0|2,0,1]=4 219 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,0,0,1,0,0|0,0,0]=1 220 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,0,0,1,0,0|2,0,1]=4 221 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,0,0,1,0,0|1,0,2]=4 222 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,0,0,1,0,0|0,0,0]=1 223 B9R1.69 C[C@@H]1O[C@H](CC[C@@H]1O)O CNP0422647.2 [0,0,0,1,0,0|1,0,2]=4 224 B9R1.69 C[C@@H]1O[C@H](CC[C@H]1O)O CNP0422647.1 [0,0,0,1,0,0|1,0,2]=4 225 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,0,0,1,0,0|1,0,2]=4 226 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,0,0,1,0,0|1,0,2]=4 227 B9R1.69 C[C@H]1O[C@H](CC[C@@H]1O)O CNP0422647.3 [0,0,0,1,0,0|1,0,2]=4 228 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,0,0,1,0,0|1,0,0]=2 229 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|0,0,2]=4 230 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,1]=3 231 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|1,0,1]=4 233 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.6 CCC=C=CCC CNP0518397.0 [2,0,0,0,0,0|0,0,2]=4 235 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,1]=3 236 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|1,0,1]=4 238 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,1]=3 241 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|1,0,1]=4 244 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,0,1]=3 247 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|0,1,1]=4 248 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,1]=4 249 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|1,1,0]=4 251 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|1,0,1]=4 253 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|1,1,0]=4 254 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,1,0]=4 257 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,2]=4 260 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|0,0,2]=4 261 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,2]=4 262 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,2]=4 263 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,2]=4 264 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,0]=3 265 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 267 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,0]=2 268 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,0]=3 269 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 270 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 271 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|1,0,1]=4 272 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|0,0,2]=4 273 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|1,0,1]=4 274 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|0,0,2]=4 275 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 277 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|0,0,0]=2 279 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|0,1,0]=3 283 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 284 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 286 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 287 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,2]=4 289 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,2]=4 290 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,1]=4 291 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 292 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 298 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,2]=4 299 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,2]=4 300 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 301 B6R0.4 CCCCB(O)O CNP0482760.0 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,0]=2 303 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 304 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,0]=2 305 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 306 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,0]=2 307 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,2]=4 308 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,2]=4 309 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,0]=3 311 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,0]=3 312 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,0]=3 315 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,0]=3 316 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,0]=3 317 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 318 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|2,0,0]=4 320 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|1,0,1]=4 321 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 322 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,0]=3 323 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,0]=3 324 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|1,0,1]=4 325 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|1,0,1]=4 326 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|1,0,0]=3 329 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|1,0,0]=3 330 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,1,0,0,0,0|1,0,0]=3 335 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.4 CCCCCCCCC CNP0402619.0 [1,1,0,0,0,0|1,0,1]=4 338 B8R0.4 CCCCCCCCN CNP0065900.0 [1,1,0,0,0,0|1,0,1]=4 339 B8R0.4 CCCCCCCCO CNP0368614.0 [1,1,0,0,0,0|1,0,1]=4 340 B8R0.4 CCCCCCCNC CNP0216624.0 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.4 CCCCCCOCC CNP0609034.0 [1,1,0,0,0,0|0,0,1]=3 342 B8R0.4 CCCCNCCCC CNP0203128.0 [1,1,0,0,0,0|1,0,1]=4 343 B8R0.4 CCCCOCCCC CNP0077266.0 [1,1,0,0,0,0|1,0,1]=4 344 B8R0.4 CCCCOCCCO CNP0141373.0 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.4 CCCCSCCCC CNP0370059.0 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.4 CCCCSSCCC CNP0003137.0 [1,1,0,0,0,0|1,1,0]=4 347 B8R0.4 CCNCCCNCC CNP0239670.0 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.4 CCOCCOCCO CNP0079970.0 [1,1,0,0,0,0|1,0,1]=4 349 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|1,0,1]=4 350 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,1,0,0,0,0|1,0,1]=4 352 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|1,0,1]=4 353 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|2,0,0]=4 355 B8R0.7 CC(C)OCCCCO CNP0461229.0 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|1,0,1]=4 357 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|1,0,0]=3 360 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|1,0,1]=4 361 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,1,0,0,0,0|1,0,1]=4 362 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|1,0,1]=4 363 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|0,0,2]=4 366 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|2,0,0]=4 367 B8R0.7 CCCCSSC(C)C CNP0003138.0 [1,1,0,0,0,0|1,1,0]=4 368 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [1,1,0,0,0,0|0,0,2]=4 370 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,1,0,0,0,0|0,0,2]=4 371 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|0,0,1]=3 372 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|0,0,0]=2 373 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [1,1,0,0,0,0|0,0,2]=4 374 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|0,0,0]=2 376 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|0,0,0]=2 377 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [1,1,0,0,0,0|0,0,2]=4 379 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [1,1,0,0,0,0|1,0,1]=4 380 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [1,1,0,0,0,0|0,0,2]=4 381 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|1,0,0]=3 383 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|1,0,0]=3 384 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|1,0,0]=3 385 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|0,0,1]=3 386 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|1,0,1]=4 387 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|0,0,0]=2 388 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|0,0,0]=2 389 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|0,0,0]=2 390 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [1,1,0,0,0,0|0,0,2]=4 392 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|1,0,0]=3 394 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [1,1,0,0,0,0|2,0,0]=4 395 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,1,0,0,0,0|1,0,1]=4 396 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,1,0,0,0,0|0,0,2]=4 397 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|0,0,1]=3 398 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,1,0,0,0,0|1,0,1]=4 399 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|0,0,0]=2 400 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|0,0,0]=2 401 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|1,0,0]=3 403 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,1,0,0,0,0|1,0,1]=4 404 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,1,0,0,0,0|1,0,1]=4 405 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,1,0,0,0,0|0,0,2]=4 406 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|0,0,2]=4 407 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|0,0,1]=3 408 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,1,0,0,0,0|1,0,1]=4 409 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,1,0,0,0,0|1,0,1]=4 410 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|0,0,0]=2 411 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|0,1,0]=3 413 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|0,0,1]=3 414 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|0,0,1]=3 415 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|0,0,1]=3 416 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [1,1,0,0,0,0|1,0,1]=4 417 B8R0.11 CCCCC(CC)CS CNP0002408.0 [1,1,0,0,0,0|0,1,1]=4 418 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,1,0,0,0,0|0,0,2]=4 419 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|0,0,1]=3 420 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [1,1,0,0,0,0|0,0,2]=4 421 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|0,0,1]=3 422 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [1,1,0,0,0,0|0,0,2]=4 423 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|0,0,2]=4 424 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|0,0,2]=4 425 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|0,0,2]=4 426 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|0,0,0]=2 427 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|0,0,0]=2 428 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,1,0,0,0,0|1,0,1]=4 429 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|1,0,0]=3 430 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [1,1,0,0,0,0|1,0,1]=4 431 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,0]=2 432 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [1,1,0,0,0,0|0,0,2]=4 433 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,0]=2 434 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|1,0,1]=4 435 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|1,0,0]=3 436 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [1,1,0,0,0,0|2,0,0]=4 437 B8R0.25 CCCC[Si](Cl)(Cl)CC CNP0222003.0 [1,1,0,0,0,0|1,1,0]=4 438 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,1,0,0,0,0|1,0,0]=3 441 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,1,0,0,0,0|0,0,0]=2 442 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,1,0,0,0,0|0,0,2]=4 443 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|0,0,1]=3 444 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [1,1,0,0,0,0|1,0,1]=4 445 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,1]=4 446 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,1,0,0,0,0|0,0,0]=2 447 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,1,0,0,0,0|0,0,0]=2 448 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,1,0,0,0,0|0,0,0]=2 449 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,1,0,0,0,0|0,0,0]=2 450 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,1,0,0,0,0|0,0,0]=2 451 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [1,1,0,0,0,0|1,0,0]=3 452 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [1,1,0,0,0,0|1,0,0]=3 453 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [1,1,0,0,0,0|1,1,0]=4 454 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,1,0,0,0,0|1,0,0]=3 455 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [1,1,0,0,0,0|2,0,0]=4 457 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [1,1,0,0,0,0|2,0,0]=4 458 B8R0.30 CCOP(=O)(Cl)OCC CNP0609096.0 [1,1,0,0,0,0|2,0,0]=4 459 B8R0.30 CCOP(=O)(O)OCC CNP0088182.0 [1,1,0,0,0,0|2,0,0]=4 460 B8R0.30 CCOS(=O)(=O)OCC CNP0264783.0 [1,1,0,0,0,0|2,0,0]=4 461 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,2,0,0,0,0|1,0,1]=4 462 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|0,0,0]=2 463 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,2,0,0,0,0|1,0,1]=4 464 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,2,0,0,0,0|1,0,0]=3 465 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,2,0,0,0,0|1,0,0]=3 466 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,2,0,0,0,0|1,0,0]=3 467 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,2,0,0,0,0|2,0,0]=4 468 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|1,0,1]=4 469 B10R0.28 CC(C)(C)OC(=O)NCCN CNP0061154.0 [0,2,0,0,0,0|2,0,0]=4 470 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,2,0,0,0,0|0,0,0]=2 471 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,2,0,0,0,0|0,0,0]=2 472 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|0,0,0]=2 473 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,2,0,0,0,0|1,0,1]=4 474 B10R0.44 CCC(C)CC(=O)C=C(C)C CNP0609623.0 [0,2,0,0,0,0|1,0,1]=4 475 B10R0.44 CC[C@@H](C)SC(=O)CC(C)C CNP0382441.1 [0,2,0,0,0,0|2,0,0]=4 476 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,2,0,0,0,0|2,0,0]=4 477 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [0,2,0,0,0,0|2,0,0]=4 478 B10R0.96 CC(C)OC(=O)CCC(=O)O CNP0547700.0 [0,2,0,0,0,0|1,0,1]=4 479 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,2,0,0,0,0|1,0,1]=4 480 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,2,0,0,0,0|0,0,0]=2 481 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|1,0,0]=3 482 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,2,0,0,0,0|1,0,0]=3 483 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,2,0,0,0,0|1,0,0]=3 484 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,2,0,0,0,0|1,0,1]=4 485 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|0,0,0]=2 486 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|2,0,0]=4 487 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|0,0,0]=2 488 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|1,0,0]=3 489 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,2,0,0,0,0|1,0,1]=4 490 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|0,0,0]=2 491 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|0,0,0]=2 492 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,2,0,0,0,0|1,0,1]=4 493 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,2,0,0,0,0|1,0,0]=3 494 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,0]=2 495 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,2,0,0,0,0|0,0,1]=3 496 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,2,0,0,0,0|1,0,1]=4 497 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,2,0,0,0,0|1,0,1]=4 498 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,2,0,0,0,0|1,0,1]=4 499 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,2,0,0,0,0|1,0,0]=3 500 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,2,0,0,0,0|0,0,1]=3 501 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,2,0,0,0,0|0,0,0]=2 502 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|0,0,0]=2 503 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|0,0,0]=2 504 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,2,0,0,0,0|2,0,0]=4 505 B10R0.19 CCCCC(=O)[C@@H](C)CCC CNP0177247.2 [0,2,0,0,0,0|1,0,0]=3 506 B10R0.19 CCCCC(=O)[C@H](C)CCC CNP0177247.1 [0,2,0,0,0,0|1,0,0]=3 507 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|0,0,0]=2 508 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|0,0,0]=2 509 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,2,0,0,0,0|0,0,0]=2 510 B10R0.19 N[C@@H](CCO)C(=O)NCCO CNP0123433.1 [0,2,0,0,0,0|2,0,0]=4 511 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,2,0,0,0,0|1,0,0]=3 512 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,2,0,0,0,0|1,0,1]=4 513 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,2,0,0,0,0|1,0,1]=4 514 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,2,0,0,0,0|1,0,0]=3 515 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,2,0,0,0,0|0,0,2]=4 516 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|0,0,1]=3 517 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,2,0,0,0,0|0,1,1]=4 518 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,2,0,0,0,0|1,0,0]=3 519 B10R0.91 CCCCC(=O)C#CCCO CNP0155413.0 [0,2,0,0,0,0|1,0,0]=3 520 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,2,0,0,0,0|1,0,0]=3 521 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,2,0,0,0,0|1,0,1]=4 522 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,2,0,0,0,0|1,0,1]=4 523 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|1,0,1]=4 524 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|1,0,0]=3 525 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,0]=2 526 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|0,0,0]=2 527 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,2,0,0,0,0|0,1,0]=3 528 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,2,0,0,0,0|0,0,0]=2 529 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,2,0,0,0,0|0,1,0]=3 530 B10R0.91 O=C(CNCCO)NCCO CNP0450726.0 [0,2,0,0,0,0|2,0,0]=4 531 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,2,0,0,0,0|1,0,0]=3 532 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,2,0,0,0,0|2,0,0]=4 533 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,2,0,0,0,0|2,0,0]=4 534 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,2,0,0,0,0|0,0,2]=4 535 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,2,0,0,0,0|1,0,1]=4 536 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,2,0,0,0,0|0,0,0]=2 537 B10R0.46 CC[C@@H](C)SC(=O)[C@H](C)CC CNP0265928.1 [0,2,0,0,0,0|2,0,0]=4 538 B10R0.57 CCC(C)C(=O)OCC(C)C CNP0380651.0 [0,2,0,0,0,0|2,0,0]=4 539 B10R0.16 CCCCC(=NO)CCCC CNP0565375.0 [0,2,0,0,0,0|1,0,1]=4 540 B10R0.16 CCCCC(C=O)CCCC CNP0136450.0 [0,2,0,0,0,0|1,0,1]=4 541 B10R0.16 CCCCN(C=O)CCCC CNP0611669.0 [0,2,0,0,0,0|2,0,0]=4 542 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,2,0,0,0,0|0,0,2]=4 543 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,2,0,0,0,0|1,0,1]=4 544 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,2,0,0,0,0|1,0,1]=4 545 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,2,0,0,0,0|0,0,0]=2 546 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,2,0,0,0,0|0,0,1]=3 547 B10R0.116 CCCCP(=O)(C)CCCC CNP0168012.0 [0,2,0,0,0,0|2,0,0]=4 548 B10R0.116 CCCCP(=O)(O)CCCC CNP0022699.0 [0,2,0,0,0,0|2,0,0]=4 549 B10R0.116 CCCCP(=O)(O)CCCN CNP0506851.0 [0,2,0,0,0,0|2,0,0]=4 550 B10R0.116 CCCC[Si](C)(C)OCCC CNP0504049.0 [0,2,0,0,0,0|1,1,0]=4 551 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,2,0,0,0,0|0,0,0]=2 552 B10R0.26 CCOC(=O)C=C(C)C(C)C CNP0344485.0 [0,2,0,0,0,0|0,0,2]=4 553 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,2,0,0,0,0|1,0,1]=4 554 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,2,0,0,0,0|1,0,1]=4 555 B10R0.33 CCCC(=NO)C(=O)OCC CNP0134909.0 [0,2,0,0,0,0|0,0,1]=3 556 B10R0.90 CCCCC(OCC)OCC CNP0384522.0 [0,2,0,0,0,0|0,0,2]=4 557 B10R0.105 CCO[P@](=O)(O)CCN(C)C CNP0139534.1 [0,2,0,0,0,0|2,0,0]=4 558 B10R0.109 CCOC(=O)CCS(=O)(=O)C CNP0414710.0 [0,2,0,0,0,0|1,0,0]=3 559 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,0]=3 560 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|1,0,1]=4 561 B8R1.2 CCN1CCOCC1 CNP0382188.0 [1,0,0,1,0,0|1,0,1]=4 562 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,1]=4 564 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|2,0,0]=4 565 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|2,0,0]=4 566 B8R1.2 NCC1CCOCC1 CNP0398955.0 [1,0,0,1,0,0|1,0,1]=4 567 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,0,0,1,0,0|2,0,0]=4 568 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,0,0,1,0,0|2,0,0]=4 569 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,0,0,1,0,0|2,0,0]=4 570 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|1,0,1]=4 571 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|1,0,1]=4 572 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|1,0,0]=3 573 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|1,0,1]=4 574 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,1,0,0|1,1,0]=4 575 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|1,0,1]=4 576 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|1,0,1]=4 577 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|1,0,1]=4 578 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|1,0,1]=4 579 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|1,0,0]=3 580 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|0,0,2]=4 581 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,1,0,0|0,0,2]=4 582 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|1,0,0]=3 583 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [1,0,0,1,0,0|1,0,1]=4 584 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [1,0,0,1,0,0|1,0,1]=4 585 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [1,0,0,1,0,0|1,1,0]=4 586 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|1,0,0]=3 587 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,0]=2 588 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [1,0,0,1,0,0|1,1,0]=4 589 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,1,0,0|2,0,0]=4 590 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,0]=3 591 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,0,0,1,0,0|2,0,0]=4 592 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|1,0,0]=3 593 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [1,0,0,1,0,0|2,0,0]=4 594 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,0,0,1,0,0|2,0,0]=4 595 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,0,0,1,0,0|2,0,0]=4 596 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,0,0,1,0,0|2,0,0]=4 597 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,0,0,1,0,0|0,0,2]=4 598 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|0,0,0]=2 599 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|1,0,0]=3 600 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [1,0,0,1,0,0|2,0,0]=4 601 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|1,0,0]=3 602 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [1,0,0,1,0,0|1,0,1]=4 603 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [1,0,0,1,0,0|0,0,2]=4 604 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [1,0,0,1,0,0|1,0,1]=4 605 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [1,0,0,1,0,0|1,0,1]=4 606 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|1,0,1]=4 607 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|0,0,2]=4 608 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|1,0,1]=4 609 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [1,0,0,1,0,0|1,0,1]=4 610 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|1,0,0]=3 611 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [1,0,0,1,0,0|1,0,1]=4 612 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [1,0,0,1,0,0|2,0,0]=4 613 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [1,0,0,1,0,0|2,0,0]=4 614 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [1,0,0,1,0,0|2,0,0]=4 615 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|1,0,0]=3 616 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [1,0,0,1,0,0|1,0,1]=4 617 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [1,0,0,1,0,0|2,0,0]=4 618 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|1,0,1]=4 619 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [1,0,0,1,0,0|1,0,1]=4 620 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [1,0,0,1,0,0|1,0,1]=4 621 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|1,0,1]=4 622 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|0,0,2]=4 623 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|2,0,0]=4 624 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|1,0,1]=4 625 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|1,0,1]=4 626 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|0,0,0]=2 627 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|0,0,2]=4 628 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,0]=3 629 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,0]=2 630 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|0,0,2]=4 631 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,0]=3 632 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,0]=2 633 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [1,0,0,1,0,0|1,1,0]=4 634 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|1,0,1]=4 635 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,1,0,0|1,0,1]=4 636 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|1,0,1]=4 637 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [1,0,0,1,0,0|1,0,0]=3 638 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,0,0,1,0,0|1,0,0]=3 639 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,0,0,1,0,0|0,0,0]=2 640 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,0,0,1,0,0|0,0,0]=2 641 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,1,0,0|1,0,1]=4 642 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,1,0,1,0,0|1,0,1]=4 643 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [0,1,0,1,0,0|1,0,1]=4 644 B10R1.16 CCCCC1=COC(=N1)C CNP0415020.0 [0,1,0,1,0,0|1,0,1]=4 645 B10R1.61 CC(=C1CCCCC1=O)C CNP0262850.0 [0,1,0,1,0,0|1,0,1]=4 646 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|1,0,0]=3 647 B10R1.120 CC1(OC(=O)CC[C@@H]1O)C CNP0280120.1 [0,1,0,1,0,0|1,0,0]=3 648 B10R1.130 C[C@H]1C=C(C(=O)O1)CCO CNP0429763.1 [0,1,0,1,0,0|1,0,1]=4 649 B10R1.192 C[C@@H]1COC(=O)[C@H]1[C@@H](C)O CNP0272849.1 [0,1,0,1,0,0|2,0,0]=4 650 B10R1.192 C[C@H](O)C1C(=O)OC[C@@H]1C CNP0272849.2 [0,1,0,1,0,0|2,0,0]=4 651 B10R1.192 C[C@H](O)[C@@H]1C(=O)OC[C@H]1C CNP0272849.3 [0,1,0,1,0,0|2,0,0]=4 652 B10R1.444 CCC1=CC(=O)OC1(C)C CNP0124592.0 [0,1,0,1,0,0|0,0,2]=4 653 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,1,0,0|0,0,1]=3 654 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|1,0,0]=3 655 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,1,0,0|1,0,1]=4 656 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,1,0,1,0,0|1,0,1]=4 657 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,1,0,0|1,0,1]=4 658 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,1,0,1,0,0|1,0,1]=4 659 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,1,0,1,0,0|1,0,1]=4 660 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,1,0,0|0,0,0]=2 661 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,1,0,0|0,0,0]=2 662 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,1,0,0|2,0,0]=4 663 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,1,0,0|2,0,0]=4 664 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,1,0,1,0,0|0,0,1]=3 665 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,0]=2 666 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|1,0,1]=4 667 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|1,0,0]=3 668 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,1,0,1,0,0|0,0,0]=2 669 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|1,0,0]=3 670 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|2,0,0]=4 671 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|1,0,0]=3 672 B10R1.15 CCC(=C1CCCCN1)O CNP0382476.0 [0,1,0,1,0,0|2,0,0]=4 673 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,1,0,1,0,0|1,0,1]=4 674 B10R1.34 CC[C@@H]1CC(=O)C(=C1C)O CNP0372233.1 [0,1,0,1,0,0|1,0,1]=4 675 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|1,0,0]=3 676 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|1,0,0]=3 677 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|0,0,0]=2 678 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [0,1,0,1,0,0|2,0,0]=4 679 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [0,1,0,1,0,0|2,0,0]=4 680 B10R1.17 CCCCC1=NCCCC1 CNP0257195.0 [0,1,0,1,0,0|2,0,0]=4 681 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|1,0,1]=4 682 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,1,0,0|1,0,0]=3 683 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,1,0,0|1,0,0]=3 684 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,1,0,0|1,0,0]=3 685 B10R1.256 C[C@@H]1C(=O)O[C@@H]([C@H]1CO)C CNP0104665.1 [0,1,0,1,0,0|1,0,0]=3 686 B10R1.256 C[C@@H]1OC(=O)[C@@H]([C@H]1CO)C CNP0104665.2 [0,1,0,1,0,0|1,0,0]=3 687 B10R1.485 C=C[C@@]1(CCOC(=O)C1)O CNP0311946.1 [0,1,0,1,0,0|0,0,2]=4 688 B10R1.485 C=C[C@]1(CCOC(=O)C1)O CNP0311946.2 [0,1,0,1,0,0|0,0,2]=4 689 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,1,0,1,0,0|0,0,2]=4 690 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|0,0,0]=2 691 B10R1.59 CC(C)C1=CC(=O)O[C@H]1C CNP0132158.1 [0,1,0,1,0,0|0,0,2]=4 692 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,1,0,1,0,0|1,0,1]=4 693 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,1,0,1,0,0|2,0,0]=4 694 B10R1.107 CC(=O)N[C@@H]1C(=O)O[C@@H]1C CNP0213056.1 [0,1,0,1,0,0|1,0,1]=4 695 B10R1.107 CC(=O)N[C@H]1C(=O)O[C@H]1C CNP0213056.2 [0,1,0,1,0,0|1,0,1]=4 696 B10R1.113 CC(C)C1=CC(=O)OCC1 CNP0611279.0 [0,1,0,1,0,0|0,0,2]=4 697 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,2,0,0|1,0,1]=4 698 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,2,0,0|1,0,0]=3 699 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [0,0,0,2,0,0|2,0,0]=4 700 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|2,0,0]=4 701 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|2,0,0]=4 702 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|2,0,0]=4