0 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.1 C=CCOS(=S)CCC CNP0539832.0 [0,0,0,0,0,0|1,1,2]=4 4 B8R0.1 C=CCS(=S)OCCC CNP0529420.0 [0,0,0,0,0,0|1,1,2]=4 5 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,0,0,0,0,0|2,1,1]=4 8 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,0,0,0,0,0|1,1,1]=3 15 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,0,0,0,0,0|1,1,1]=3 16 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,0,0,0,0,0|3,1,0]=4 21 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,0,0,0,0,0|3,1,0]=4 22 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 CCCC#CCCC CNP0381743.0 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCCC=CCCC CNP0541880.0 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.1 CCCC=CCCO CNP0287313.0 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.1 CCCSSCCC CNP0328321.0 [1,0,0,0,0,0|1,1,0]=3 40 B7R0.1 CCCSSSCC CNP0094065.0 [1,0,0,0,0,0|2,1,0]=4 41 B7R0.1 COCCOCCO CNP0610336.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,0,0,0,0,0|0,1,2]=4 46 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|0,0,0]=1 56 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,0,0,0,0,0|0,2,1]=4 57 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,0,0,0,0,0|0,0,2]=3 62 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,0,0,0,0|0,0,2]=3 64 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,0,0,0,0|0,0,2]=3 65 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,0,0,0,0|0,0,0]=1 67 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,0,0,0,0|0,0,0]=1 68 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,0,0,0,0|0,1,0]=2 69 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,0,0,0,0,0|1,0,1]=3 70 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,0,0,0,0,0|0,0,2]=3 71 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,0,0,0,0,0|1,1,1]=4 73 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,0,0,0,0,0|1,1,1]=4 74 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,0,0,0,0|1,0,1]=3 76 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,0,0,0,0,0|1,1,1]=4 77 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,0,0,0,0|1,0,0]=2 81 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,0,0,0,0|1,0,0]=2 82 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,0,0,0,0,0|2,0,0]=3 86 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,1,0,0,0,0|0,0,2]=3 87 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,1,0,0,0,0|1,0,2]=4 88 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,0,0,0,0|1,0,1]=3 89 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [0,1,0,0,0,0|1,0,2]=4 91 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [0,1,0,0,0,0|1,0,2]=4 92 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,1,0,0,0,0|1,0,1]=3 93 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,1,0,0,0,0|0,0,0]=1 94 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|1,0,2]=4 96 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,1,0,0,0,0|1,0,2]=4 98 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|1,0,2]=4 99 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,0,0,0,0|0,0,2]=3 100 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|1,0,1]=3 101 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,0,0,0,0|1,0,1]=3 103 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|2,0,0]=3 104 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|2,0,0]=3 107 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|0,0,0]=1 110 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.5 O=CCCSC(=O)CCS CNP0552323.0 [0,1,0,0,0,0|1,1,1]=4 114 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,1,0,0,0,0|0,0,2]=3 115 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,1,0,0,0,0|1,0,2]=4 118 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,1,0,0,0,0|1,0,2]=4 119 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,1,0,0,0,0|0,0,0]=1 120 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [0,1,0,0,0,0|1,1,0]=3 121 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,1,0,0,0,0|0,0,2]=3 122 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [0,1,0,0,0,0|1,0,2]=4 123 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,1,0,0,0,0|1,0,0]=2 124 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,1,0,0,0,0|0,0,0]=1 125 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,1,0,0,0,0|2,0,0]=3 126 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [0,1,0,0,0,0|1,0,0]=2 128 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,1,0,0,0,0|0,0,0]=1 129 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,1,0,0,0,0|1,0,2]=4 131 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,1,0,0,0,0|3,0,0]=4 132 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,0,0,0,0|2,0,0]=3 133 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,0,0,0,0|2,0,0]=3 134 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,1,0,0,0,0|1,0,0]=2 136 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [0,1,0,0,0,0|1,0,2]=4 138 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,1,0,0,0,0|3,0,0]=4 140 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,1,0,0,0,0|0,0,1]=2 142 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,1,0,0,0,0|0,0,2]=3 143 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,0,0,0,0|1,0,1]=3 144 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,1,0,0,0,0|1,0,0]=2 147 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,1,0,0,0,0|0,0,0]=1 148 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,1,0,0,0,0|1,0,2]=4 149 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,1,0,0,0,0|2,0,0]=3 152 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,1,0,0,0,0|3,0,0]=4 153 B9R0.66 CC=CS(=O)(=S)OCCC CNP0503561.0 [0,1,0,0,0,0|1,0,2]=4 154 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,0,0,1,0,0|0,0,0]=1 156 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,0,0,1,0,0|2,0,1]=4 157 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,0,0,1,0,0|2,0,1]=4 158 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,0,0,1,0,0|2,0,1]=4 161 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,0,0,1,0,0|1,0,2]=4 163 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,0,0,1,0,0|2,0,1]=4 164 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,0,0,1,0,0|2,0,1]=4 167 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,0,0,1,0,0|2,0,1]=4 170 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,0,0,1,0,0|1,0,2]=4 172 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [0,0,0,1,0,0|1,1,1]=4 173 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,0,0,1,0,0|1,0,0]=2 174 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,0,0,1,0,0|2,0,1]=4 175 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,0,0,1,0,0|2,0,0]=3 176 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,0,0,1,0,0|2,0,0]=3 177 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,0,0,1,0,0|1,0,2]=4 180 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,0,0,1,0,0|0,0,0]=1 181 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [0,0,0,1,0,0|2,0,1]=4 182 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,0,0,1,0,0|2,0,0]=3 183 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [0,0,0,1,0,0|1,0,2]=4 184 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,0,0,1,0,0|1,0,2]=4 185 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,0,0,1,0,0|3,0,0]=4 186 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,0,0,1,0,0|2,0,0]=3 187 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,0,0,1,0,0|2,0,0]=3 188 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,1,0,0|1,0,2]=4 189 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,0|1,0,0]=2 190 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,1,0,0|2,0,0]=3 191 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,1,0,0|2,0,1]=4 192 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,1,0,0|2,0,1]=4 194 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|1,0,0]=2 195 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,0,0,1,0,0|1,0,2]=4 196 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,0,0,1,0,0|1,0,1]=3 197 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,0,0,1,0,0|1,0,0]=2 198 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,0,0,1,0,0|1,0,2]=4 199 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,0,0,1,0,0|2,0,0]=3 200 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,0,0,1,0,0|2,0,1]=4 201 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,0,0,1,0,0|2,0,0]=3 202 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,0,0,1,0,0|2,0,0]=3 203 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,0,0,1,0,0|3,0,0]=4 204 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|0,1,1]=4 206 B6R0.6 CCC=C=CCC CNP0518397.0 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,1]=3 208 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,1]=3 211 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,1]=4 216 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|0,1,0]=3 221 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|1,1,0]=4 222 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.6 ClCCOCCCl CNP0082891.0 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.6 NCCOCCN CNP0447264.0 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.6 OCCOCCO CNP0333860.0 [2,0,0,0,0,0|2,0,0]=4 227 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,2]=4 229 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|0,0,2]=4 230 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,2]=4 231 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,2]=4 232 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,2]=4 233 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 236 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,0]=2 237 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 239 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 240 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|0,0,2]=4 242 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|0,0,2]=4 244 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|0,0,0]=2 248 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|1,0,0]=3 249 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|1,0,0]=3 250 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|0,1,0]=3 252 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|1,0,1]=4 254 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.4 C=CCOC(=O)C CNP0175648.0 [2,0,0,0,0,0|0,0,2]=4 257 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|0,0,0]=2 271 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|0,1,0]=3 272 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|1,1,0]=4 274 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|1,0,1]=4 275 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,1,0,0,0,0|1,0,0]=3 278 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,1,0,0,0,0|1,0,0]=3 279 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,1,0,0,0,0|1,0,1]=4 280 B8R0.4 CCCCCCCCC CNP0402619.0 [1,1,0,0,0,0|1,0,1]=4 281 B8R0.4 CCCCCCCCN CNP0065900.0 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.4 CCCCCCCCO CNP0368614.0 [1,1,0,0,0,0|1,0,1]=4 283 B8R0.4 CCCCCCCNC CNP0216624.0 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.4 CCCCCCOCC CNP0609034.0 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.4 CCCCNCCCC CNP0203128.0 [1,1,0,0,0,0|1,0,1]=4 286 B8R0.4 CCCCOCCCC CNP0077266.0 [1,1,0,0,0,0|0,0,1]=3 287 B8R0.4 CCCCOCCCO CNP0141373.0 [1,1,0,0,0,0|0,0,1]=3 288 B8R0.4 CCCCSCCCC CNP0370059.0 [1,1,0,0,0,0|0,1,1]=4 289 B8R0.4 CCCCSSCCC CNP0003137.0 [1,1,0,0,0,0|0,1,1]=4 290 B8R0.4 CCCSSSCCC CNP0085911.0 [1,1,0,0,0,0|1,1,0]=4 291 B8R0.4 CCOCCOCCO CNP0079970.0 [1,1,0,0,0,0|1,0,1]=4 292 B8R0.4 COCCOCCOC CNP0466646.0 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.4 NCCCOCCCN CNP0453820.0 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.6 CCC(C)OCCCO CNP0593328.0 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|1,0,1]=4 296 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,1,0,0,0,0|1,0,1]=4 297 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,1,0,0,0,0|1,0,1]=4 299 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|0,0,2]=4 300 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.6 CCCSSC(C)CC CNP0570615.0 [1,1,0,0,0,0|1,1,0]=4 302 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [1,1,0,0,0,0|1,0,1]=4 303 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|1,0,1]=4 305 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|0,0,1]=3 310 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|0,0,2]=4 311 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,1,0,0,0,0|1,0,1]=4 312 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,0]=3 313 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,0]=3 314 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|2,0,0]=4 316 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|2,0,0]=4 317 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [1,1,0,0,0,0|1,0,1]=4 318 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [1,1,0,0,0,0|0,0,2]=4 319 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,1]=4 320 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,0]=3 321 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,0,0]=3 322 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,0,0]=3 323 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|0,0,0]=2 324 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|1,0,1]=4 325 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|1,0,0]=3 326 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|1,0,0]=3 327 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|0,0,0]=2 328 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|2,0,0]=4 329 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,0]=3 337 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,0]=3 338 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,1,0,0,0,0|0,0,1]=3 339 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|0,0,0]=2 340 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|2,0,0]=4 342 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,1,0,0,0,0|0,0,2]=4 343 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|0,0,1]=3 344 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,1,0,0,0,0|0,0,0]=2 346 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,1,0,0,0,0|0,0,0]=2 347 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,1,0,0,0,0|1,0,1]=4 349 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,1,0,0,0,0|0,0,2]=4 350 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|0,0,1]=3 351 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [1,1,0,0,0,0|1,0,1]=4 352 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,1]=4 353 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,1,0,0,0,0|0,0,0]=2 354 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,1,0,0,0,0|0,0,0]=2 355 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,1,0,0,0,0|0,0,0]=2 356 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,1,0,0,0,0|0,0,0]=2 357 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,1,0,0,0,0|0,0,0]=2 358 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [1,1,0,0,0,0|1,0,0]=3 359 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [1,1,0,0,0,0|1,0,0]=3 360 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [1,1,0,0,0,0|1,1,0]=4 361 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,1,0,0,0,0|0,0,1]=3 362 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [1,1,0,0,0,0|0,0,1]=3 363 B8R0.22 CCCC(CO)CCC CNP0538708.0 [1,1,0,0,0,0|0,0,2]=4 364 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [1,1,0,0,0,0|1,0,0]=3 365 B8R0.30 CCCP(=S)(C)CCC CNP0210632.0 [1,1,0,0,0,0|1,1,0]=4 366 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [1,1,0,0,0,0|1,0,0]=3 367 B8R0.30 CCOP(=O)(Cl)OCC CNP0609096.0 [1,1,0,0,0,0|2,0,0]=4 368 B8R0.30 CCOP(=O)(O)OCC CNP0088182.0 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.30 CCOS(=O)(=O)OCC CNP0264783.0 [1,1,0,0,0,0|2,0,0]=4 370 B10R0.6 CC(C)CC(=O)NCCC=O CNP0412095.0 [0,2,0,0,0,0|1,0,1]=4 371 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,2,0,0,0,0|0,0,1]=3 373 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,2,0,0,0,0|0,0,0]=2 374 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,2,0,0,0,0|0,0,0]=2 375 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,2,0,0,0,0|0,0,0]=2 376 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,2,0,0,0,0|0,0,0]=2 377 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|1,0,1]=4 378 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,2,0,0,0,0|2,0,0]=4 379 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,2,0,0,0,0|2,0,0]=4 380 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|2,0,0]=4 381 B10R0.44 CC[C@@H](C)SC(=O)CC(C)C CNP0382441.1 [0,2,0,0,0,0|0,1,0]=3 382 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,2,0,0,0,0|0,0,1]=3 383 B10R0.96 CC(C)C=CC(=O)CC(C)C CNP0168890.0 [0,2,0,0,0,0|1,0,1]=4 384 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,2,0,0,0,0|1,0,0]=3 385 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [0,2,0,0,0,0|0,0,0]=2 386 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,2,0,0,0,0|0,0,0]=2 387 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,2,0,0,0,0|2,0,0]=4 388 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|1,0,0]=3 389 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,2,0,0,0,0|1,0,0]=3 390 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,2,0,0,0,0|0,0,0]=2 391 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,2,0,0,0,0|0,0,0]=2 392 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|2,0,0]=4 393 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|2,0,0]=4 394 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|2,0,0]=4 395 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|0,0,0]=2 396 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|2,0,0]=4 397 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|1,0,1]=4 398 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,2,0,0,0,0|0,0,0]=2 399 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,2,0,0,0,0|0,0,0]=2 400 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|2,0,0]=4 401 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,2,0,0,0,0|1,0,1]=4 402 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,2,0,0,0,0|0,0,0]=2 403 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,2,0,0,0,0|1,0,1]=4 404 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,2,0,0,0,0|0,0,0]=2 405 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,2,0,0,0,0|2,0,0]=4 406 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,2,0,0,0,0|2,0,0]=4 407 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|2,0,0]=4 408 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|2,0,0]=4 409 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,2,0,0,0,0|2,0,0]=4 410 B10R0.19 CCCCC(=O)[C@@H](C)CCC CNP0177247.2 [0,2,0,0,0,0|1,0,0]=3 411 B10R0.19 CCCCC(=O)[C@H](C)CCC CNP0177247.1 [0,2,0,0,0,0|1,0,0]=3 412 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|2,0,0]=4 413 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|2,0,0]=4 414 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,2,0,0,0,0|2,0,0]=4 415 B10R0.19 N[C@@H](CCO)C(=O)NCCO CNP0123433.1 [0,2,0,0,0,0|2,0,0]=4 416 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,2,0,0,0,0|1,0,0]=3 417 B10R0.24 CSCCC=C(C=O)CSC CNP0002763.0 [0,2,0,0,0,0|2,0,0]=4 418 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,2,0,0,0,0|0,0,2]=4 419 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,2,0,0,0,0|0,0,0]=2 420 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,2,0,0,0,0|0,0,2]=4 421 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|0,0,2]=4 422 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,2,0,0,0,0|1,0,1]=4 423 B10R0.91 CCCCC(=O)C#CCCO CNP0155413.0 [0,2,0,0,0,0|1,0,1]=4 424 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,2,0,0,0,0|1,0,0]=3 425 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|1,0,1]=4 426 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|1,0,0]=3 427 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,0]=2 428 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|1,0,0]=3 429 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,2,0,0,0,0|0,1,0]=3 430 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,2,0,0,0,0|0,0,0]=2 431 B10R0.91 CCCCOC(=O)CN=C=O CNP0504348.0 [0,2,0,0,0,0|1,0,1]=4 432 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,2,0,0,0,0|0,1,0]=3 433 B10R0.91 O=C(CNCCO)NCCO CNP0450726.0 [0,2,0,0,0,0|2,0,0]=4 434 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,2,0,0,0,0|0,0,0]=2 435 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,2,0,0,0,0|0,0,0]=2 436 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,2,0,0,0,0|0,0,0]=2 437 B10R0.21 C=CCOC(=O)C(CC)CC CNP0215688.0 [0,2,0,0,0,0|0,0,2]=4 438 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,2,0,0,0,0|2,0,0]=4 439 B10R0.46 CC[C@@H](C)SC(=O)[C@H](C)CC CNP0265928.1 [0,2,0,0,0,0|0,1,0]=3 440 B10R0.57 CC=C(C)C(=O)OCC(C)C CNP0164553.0 [0,2,0,0,0,0|0,0,2]=4 441 B10R0.57 CCC(C)C(=O)OCC(C)C CNP0380651.0 [0,2,0,0,0,0|0,0,0]=2 442 B10R0.16 CCCCC(=NO)CCCC CNP0565375.0 [0,2,0,0,0,0|1,0,1]=4 443 B10R0.16 CCCCC(C=O)CCCC CNP0136450.0 [0,2,0,0,0,0|1,0,1]=4 444 B10R0.16 CCCCN(C=O)CCCC CNP0611669.0 [0,2,0,0,0,0|2,0,0]=4 445 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,2,0,0,0,0|0,0,2]=4 446 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,2,0,0,0,0|0,0,0]=2 447 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,2,0,0,0,0|0,0,0]=2 448 B10R0.116 CCCCP(=O)(C)CCCC CNP0168012.0 [0,2,0,0,0,0|2,0,0]=4 449 B10R0.116 CCCCP(=O)(O)CCCC CNP0022699.0 [0,2,0,0,0,0|2,0,0]=4 450 B10R0.116 CCCCP(=O)(O)CCCN CNP0506851.0 [0,2,0,0,0,0|2,0,0]=4 451 B10R0.116 CCCC[Si](C)(C)OCCC CNP0504049.0 [0,2,0,0,0,0|1,1,0]=4 452 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,2,0,0,0,0|2,0,0]=4 453 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,2,0,0,0,0|0,0,1]=3 454 B10R0.33 CCCC(=NO)C(=O)OCC CNP0134909.0 [0,2,0,0,0,0|2,0,0]=4 455 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [1,0,0,1,0,0|2,0,0]=4 456 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|1,0,1]=4 458 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|0,0,1]=3 459 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,0]=3 460 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|0,0,1]=3 461 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|1,0,1]=4 463 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,0,0,1,0,0|1,0,1]=4 464 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|1,0,1]=4 465 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|1,0,1]=4 466 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|1,0,1]=4 467 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|1,0,1]=4 469 B8R1.8 CCCN1OCCO1 CNP0257167.0 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|1,0,1]=4 471 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|1,0,1]=4 472 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|1,0,1]=4 474 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|1,0,1]=4 475 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|1,0,0]=3 476 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|1,0,1]=4 477 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [1,0,0,1,0,0|0,0,2]=4 478 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,1,0,0|1,0,1]=4 479 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,0,0,1,0,0|0,0,2]=4 480 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|0,0,0]=2 481 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|0,0,0]=2 482 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,0,0,1,0,0|1,0,0]=3 485 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,0,0,1,0,0|1,0,0]=3 489 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,0,0,1,0,0|1,0,0]=3 490 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|1,0,0]=3 491 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|2,0,0]=4 493 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|1,0,1]=4 494 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|2,0,0]=4 495 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [1,0,0,1,0,0|1,0,0]=3 497 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [1,0,0,1,0,0|1,0,0]=3 498 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|0,1,0]=3 499 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [1,0,0,1,0,0|1,0,0]=3 500 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [1,0,0,1,0,0|2,0,0]=4 501 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [1,0,0,1,0,0|2,0,0]=4 502 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [1,0,0,1,0,0|2,0,0]=4 503 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [1,0,0,1,0,0|2,0,0]=4 504 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|0,0,2]=4 505 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|0,0,2]=4 506 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,1]=4 507 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|0,0,2]=4 508 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|1,0,1]=4 509 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|0,0,2]=4 510 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|0,0,0]=2 511 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|0,0,2]=4 512 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,0]=2 513 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,0]=2 514 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,1,0,0|1,0,1]=4 515 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,1,0,0|0,0,2]=4 516 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,1,0,0|1,0,1]=4 517 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,1,0,0|0,0,2]=4 518 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|0,0,2]=4 519 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,0]=2 520 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,0]=2 521 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,1,0,0|0,0,2]=4 522 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,1,0,0|0,0,2]=4 523 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [1,0,0,1,0,0|1,1,0]=4 524 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|1,0,1]=4 525 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,1,0,0|0,0,2]=4 526 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|1,0,1]=4 527 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [1,0,0,1,0,0|1,0,1]=4 528 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [1,0,0,1,0,0|1,0,0]=3 529 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,0,0,1,0,0|1,0,0]=3 530 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,0,0,1,0,0|0,0,0]=2 531 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [1,0,0,1,0,0|1,0,1]=4 532 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,0,0,1,0,0|0,0,0]=2 533 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,1,0,0|1,0,1]=4 534 B10R1.8 CCC1=CC(=O)C[C@@H](O1)C CNP0217841.2 [0,1,0,1,0,0|1,0,1]=4 535 B10R1.8 CCC1=CC(=O)C[C@H](O1)C CNP0217841.1 [0,1,0,1,0,0|1,0,1]=4 536 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|1,0,0]=3 537 B10R1.61 CC(C)C1OCCNC1=O CNP0105827.0 [0,1,0,1,0,0|2,0,0]=4 538 B10R1.61 CC1=C(CCCO1)C(C)C CNP0344846.0 [0,1,0,1,0,0|1,0,1]=4 539 B10R1.192 C[C@@H]1COC(=O)[C@H]1[C@@H](C)O CNP0272849.1 [0,1,0,1,0,0|0,0,0]=2 540 B10R1.192 C[C@H](O)C1C(=O)OC[C@@H]1C CNP0272849.2 [0,1,0,1,0,0|0,0,0]=2 541 B10R1.192 C[C@H](O)[C@@H]1C(=O)OC[C@H]1C CNP0272849.3 [0,1,0,1,0,0|0,0,0]=2 542 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|0,0,0]=2 543 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,1,0,0|0,0,2]=4 544 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,1,0,0|0,0,2]=4 545 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,1,0,1,0,0|1,0,1]=4 546 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,1,0,1,0,0|1,0,1]=4 547 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [0,1,0,1,0,0|2,0,0]=4 548 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [0,1,0,1,0,0|2,0,0]=4 549 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,1,0,0|2,0,0]=4 550 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,1,0,0|2,0,0]=4 551 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,1,0,0|1,0,0]=3 552 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,1,0,0|1,0,0]=3 553 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|2,0,0]=4 554 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|1,0,1]=4 555 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|1,0,0]=3 556 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,1,0,1,0,0|2,0,0]=4 557 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|1,0,0]=3 558 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|2,0,0]=4 559 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|1,0,0]=3 560 B10R1.34 CC[C@H]1OC(=O)C(=C1C)O CNP0147555.1 [0,1,0,1,0,0|0,0,2]=4 561 B10R1.34 NC[C@@H]1OC(=O)[C@@H]([C@H]1N)N CNP0242874.1 [0,1,0,1,0,0|2,0,0]=4 562 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO CNP0149601.4 [0,1,0,1,0,0|2,0,0]=4 563 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO CNP0149601.5 [0,1,0,1,0,0|2,0,0]=4 564 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO CNP0149601.1 [0,1,0,1,0,0|2,0,0]=4 565 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO CNP0149601.3 [0,1,0,1,0,0|2,0,0]=4 566 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO CNP0149601.2 [0,1,0,1,0,0|2,0,0]=4 567 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|1,0,1]=4 568 B10R1.119 O=C1OC[C@H]([C@@H]([C@H]1O)O)O CNP0214480.1 [0,1,0,1,0,0|2,0,0]=4 569 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|1,0,0]=3 570 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|0,0,0]=2 571 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [0,1,0,1,0,0|2,0,0]=4 572 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [0,1,0,1,0,0|2,0,0]=4 573 B10R1.17 CCCCC1=NCCCC1 CNP0257195.0 [0,1,0,1,0,0|2,0,0]=4 574 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|1,0,1]=4 575 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,1,0,0|1,0,0]=3 576 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,1,0,0|1,0,0]=3 577 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.149 O=C1CCCN1C(P)CP CNP0217897.0 [0,1,0,1,0,0|2,0,0]=4 579 B10R1.256 CCC1=C(C(=O)C[C@@H]1C)O CNP0105899.1 [0,1,0,1,0,0|1,0,1]=4 580 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|2,0,0]=4 581 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,1,0,1,0,0|1,0,1]=4 583 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,2,0,0|1,0,1]=4 584 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,2,0,0|1,0,0]=3 585 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [0,0,0,2,0,0|2,0,0]=4 586 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|2,0,0]=4 587 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|2,0,0]=4 588 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|2,0,0]=4