0 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,0,0,0,0,0|0,1,2]=3 15 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|0,0,2]=3 38 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|0,0,1]=2 44 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,0,0,0,0,0|0,0,2]=3 59 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,0,0,0,0|0,0,2]=3 60 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,0,0,0,0|0,0,2]=3 61 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,0,0,0,0|0,0,2]=3 62 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|0,0,0]=1 63 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|0,0,0]=1 64 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|0,0,2]=3 66 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|0,0,2]=3 67 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|0,0,2]=3 68 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|0,0,2]=3 70 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|0,1,2]=4 71 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|0,0,2]=3 72 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|1,0,1]=3 76 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,0,0,0,0|2,0,1]=4 83 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,1,0,0,0,0|1,0,2]=4 84 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,0|0,0,3]=4 86 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,0|0,0,2]=3 87 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,0|1,0,2]=4 88 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,1,0,0,0,0|0,0,3]=4 90 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|0,0,3]=4 91 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,1,0,0,0,0|1,0,2]=4 92 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|1,0,2]=4 93 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,1,0,0,0,0|0,0,2]=3 94 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|1,0,2]=4 95 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,1,0,0,0,0|0,0,0]=1 96 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [0,1,0,0,0,0|1,0,2]=4 97 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|0,0,2]=3 98 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|1,0,2]=4 99 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|1,0,2]=4 100 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|0,0,2]=3 101 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|1,0,2]=4 102 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|0,0,3]=4 103 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|1,0,2]=4 104 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|0,0,2]=3 105 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,1,0,0,0,0|1,0,1]=3 107 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,0,0,0,0|1,0,2]=4 108 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,0,0,0,0|0,0,2]=3 110 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,1,0,0,0,0|0,0,2]=3 111 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,1,0,0,0,0|0,0,2]=3 112 B9R0.24 CNC(=O)CNC(=O)CN CNP0047702.0 [0,1,0,0,0,0|3,0,0]=4 113 B9R0.24 COC(=O)C#CC(=O)OC CNP0341643.0 [0,1,0,0,0,0|1,0,2]=4 114 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,1,0,0,0,0|1,0,1]=3 115 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,1,0,0,0,0|1,0,1]=3 116 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,1,0,0,0,0|1,0,1]=3 117 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,1,0,0,0,0|1,0,1]=3 118 B9R0.24 COC(=O)NNC(=O)OC CNP0145555.0 [0,1,0,0,0,0|3,0,0]=4 119 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,0,0,0,0|0,0,2]=3 120 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,0,0,0,0|0,0,2]=3 121 B9R0.34 COC(=O)C=C(C)CCO CNP0161567.0 [0,1,0,0,0,0|1,0,2]=4 122 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,1,0,0,0,0|1,0,2]=4 123 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,1,0,0,0,0|0,0,0]=1 124 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,1,0,0,0,0|0,0,2]=3 125 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|1,0,2]=4 126 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|0,0,2]=3 127 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|1,0,2]=4 129 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|1,0,2]=4 130 B9R0.50 C=CC(CC)CC=CCC CNP0580048.0 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,0,1,0,0|1,0,2]=4 132 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,0,0,1,0,0|1,0,2]=4 133 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|1,0,2]=4 134 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,1,0,0|1,0,2]=4 135 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,0,0,1,0,0|1,0,2]=4 136 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,0,0,1,0,0|1,0,2]=4 137 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,0,0,1,0,0|1,0,2]=4 138 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,0,0,1,0,0|1,0,0]=2 140 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,0,0,1,0,0|2,0,1]=4 141 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,0,0,1,0,0|0,0,0]=1 142 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,0,0,1,0,0|1,0,1]=3 143 B9R1.21 CCC1=CN=C(S1)CC CNP0055349.0 [0,0,0,1,0,0|2,1,0]=4 144 B9R1.21 CCC1=CSC(=N1)CC CNP0002533.0 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|1,0,2]=4 146 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,0,0,1,0,0|2,0,1]=4 147 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,0,0,1,0,0|3,0,0]=4 148 B6R0.6 CC=CC=CC=O CNP0182801.0 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.6 CC=CC=CCC CNP0608489.0 [2,0,0,0,0,0|0,0,1]=3 150 B6R0.6 CC=CC=CCO CNP0292375.0 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|0,0,2]=4 152 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.6 CC=COC=CC CNP0612224.0 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.6 CC=CSC=CC CNP0002507.0 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.6 CCC=C=CC=O CNP0611366.0 [2,0,0,0,0,0|0,0,2]=4 157 B6R0.6 CCC=C=CCC CNP0518397.0 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.6 CCC=CCC#N CNP0106706.0 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,0]=2 160 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,1]=3 161 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|0,0,1]=3 162 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,2]=4 163 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,2]=4 165 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,0,2]=4 166 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|1,0,1]=4 167 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.1 C=CCS(=S)OC CNP0557318.0 [2,0,0,0,0,0|1,1,0]=4 169 B6R0.1 CC=CC(=CC)C CNP0535908.0 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|1,0,0]=3 171 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,0]=2 172 B6R0.1 CC=CS(=S)OC CNP0560483.0 [2,0,0,0,0,0|1,1,0]=4 173 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 179 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 180 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.1 COC(=O)C=CBr CNP0321764.0 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.1 COC(=O)C=CI CNP0190700.0 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.1 COC(=O)C=NO CNP0235637.0 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [2,0,0,0,0,0|0,0,2]=4 193 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,2]=4 194 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,2]=4 195 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.4 CC=CC=C(C)C CNP0318303.0 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,0]=2 198 B6R0.4 CC=CCC(C)C CNP0081831.0 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.4 CC=CCC(C)O CNP0217280.0 [2,0,0,0,0,0|0,0,2]=4 200 B6R0.4 CC=CCS(=S)O CNP0514093.0 [2,0,0,0,0,0|1,1,0]=4 201 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,0]=2 202 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,0]=2 203 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 204 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,1]=3 205 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,1]=3 207 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,1]=3 208 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 213 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.4 CSC=CC(=O)N CNP0140289.0 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.4 CSC=CC(=O)O CNP0140653.0 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.4 N=CNCC(=O)O CNP0218776.0 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.4 NCC=CC(=O)O CNP0250683.0 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.4 O=C(O)C=CCO CNP0097506.0 [2,0,0,0,0,0|1,0,0]=3 223 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.4 O=CNCC(=O)O CNP0082901.0 [2,0,0,0,0,0|2,0,0]=4 226 B8R0.4 CC=CCCC=CCO CNP0076887.0 [1,1,0,0,0,0|2,0,0]=4 227 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.4 CCC=CCC=CCO CNP0338368.0 [1,1,0,0,0,0|1,0,0]=3 229 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|1,0,1]=4 230 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,1,0,0,0,0|0,0,2]=4 232 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,1,0,0,0,0|1,0,1]=4 233 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,1,0,0,0,0|1,0,1]=4 236 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [1,1,0,0,0,0|2,0,0]=4 240 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,1,0,0,0,0|1,0,0]=3 241 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,1]=4 242 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,1]=4 243 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|0,0,1]=3 245 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|2,0,0]=4 246 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|1,0,1]=4 249 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [1,1,0,0,0,0|2,0,0]=4 250 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [1,1,0,0,0,0|2,0,0]=4 251 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,1]=4 252 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,1]=4 253 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,0,1]=4 254 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,0,1]=4 255 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,1,0,0,0,0|1,0,1]=4 256 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,1,0,0,0,0|1,0,0]=3 257 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|1,0,1]=4 258 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.9 CNC(=O)/C=C/[S@@+](C)[O-] CNP0536692.1 [1,1,0,0,0,0|2,0,0]=4 262 B8R0.9 CNC(=O)/C=C/[S@@H+](C)[O-] CNP0584087.2 [1,1,0,0,0,0|2,0,0]=4 263 B8R0.9 CNC(=O)/C=C\[S@@+](C)[O-] CNP0536692.2 [1,1,0,0,0,0|2,0,0]=4 264 B8R0.9 CNC(=O)/C=C\[S@@H+](C)[O-] CNP0584087.1 [1,1,0,0,0,0|2,0,0]=4 265 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [1,1,0,0,0,0|2,0,0]=4 266 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|0,0,0]=2 269 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|0,0,1]=3 270 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,1,0,0,0,0|1,0,1]=4 272 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|0,0,1]=3 273 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,1,0,0,0,0|1,0,0]=3 274 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|0,1,1]=4 275 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [1,1,0,0,0,0|1,0,0]=3 276 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|0,0,0]=2 279 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|0,0,0]=2 280 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|1,0,0]=3 281 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,1]=4 283 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,1,0,0,0,0|2,0,0]=4 284 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,1]=3 285 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,1]=3 286 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [1,1,0,0,0,0|1,0,0]=3 287 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [1,1,0,0,0,0|2,0,0]=4 288 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|1,0,0]=3 289 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|1,0,1]=4 290 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [1,1,0,0,0,0|2,0,0]=4 291 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [1,1,0,0,0,0|0,0,2]=4 292 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [1,1,0,0,0,0|0,0,2]=4 293 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,1,0,0,0,0|0,0,2]=4 294 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,1,0,0,0,0|0,0,2]=4 295 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|0,0,1]=3 296 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|0,0,1]=3 297 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,2]=4 298 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|0,0,2]=4 299 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|0,0,2]=4 300 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|0,0,2]=4 301 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,0]=3 304 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [1,1,0,0,0,0|1,0,1]=4 305 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [1,1,0,0,0,0|0,0,2]=4 307 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,1,0,0,0,0|0,0,2]=4 308 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,1,0,0,0,0|0,0,2]=4 309 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|0,0,2]=4 310 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [1,1,0,0,0,0|0,0,0]=2 311 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|0,0,2]=4 312 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [1,1,0,0,0,0|0,0,2]=4 313 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|0,0,2]=4 314 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [1,1,0,0,0,0|1,0,1]=4 315 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,2,0,0,0,0|0,0,2]=4 316 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|0,0,2]=4 317 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|0,0,2]=4 318 B10R0.44 COC(=O)CC(=CC(=O)O)C CNP0155596.0 [0,2,0,0,0,0|1,0,1]=4 319 B10R0.59 COC(=O)CCCC(=O)OC CNP0334682.0 [0,2,0,0,0,0|1,0,1]=4 320 B10R0.59 COC(=O)COCC(=O)OC CNP0414365.0 [0,2,0,0,0,0|1,0,1]=4 321 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,2,0,0,0,0|0,0,0]=2 322 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,2,0,0,0,0|2,0,0]=4 323 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|0,0,2]=4 324 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|0,0,2]=4 325 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|0,0,2]=4 326 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|0,0,1]=3 327 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,2]=4 328 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,2,0,0,0,0|1,0,0]=3 329 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,2,0,0,0,0|2,0,0]=4 330 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|0,0,2]=4 331 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|0,0,2]=4 332 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|0,0,2]=4 333 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,2,0,0,0,0|0,0,2]=4 334 B10R0.91 C=CCOC(=O)C=CC=CC CNP0002918.0 [0,2,0,0,0,0|0,0,2]=4 335 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,2,0,0,0,0|0,0,2]=4 336 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|0,0,2]=4 337 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,2]=4 338 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|0,0,2]=4 339 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [0,2,0,0,0,0|0,0,1]=3 340 B10R0.108 C=CCC(=O)NCC(=O)OC CNP0315997.0 [0,2,0,0,0,0|1,0,1]=4 341 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,2,0,0,0,0|2,0,0]=4 342 B10R0.46 C=C(CC(=O)OC)C(=O)OC CNP0185173.0 [0,2,0,0,0,0|1,0,0]=3 343 B10R0.46 CCC(=O)OC(C)C(=O)SC CNP0347510.0 [0,2,0,0,0,0|1,1,0]=4 344 B10R0.46 COC(=O)C=C(C)C(=O)OC CNP0198897.0 [0,2,0,0,0,0|1,0,1]=4 345 B10R0.46 COC(=O)CC(=O)C(=O)OC CNP0261519.0 [0,2,0,0,0,0|1,0,0]=3 346 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CNP0140271.1 [0,2,0,0,0,0|1,0,1]=4 347 B10R0.46 COC(=O)C[C@H](N)C(=O)OC CNP0177660.1 [0,2,0,0,0,0|1,0,1]=4 348 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CNP0140271.2 [0,2,0,0,0,0|1,0,1]=4 349 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,2,0,0,0,0|0,0,2]=4 350 B10R0.85 CCOC[C@@H](NC)C(=O)OC CNP0524975.1 [0,2,0,0,0,0|1,0,1]=4 351 B10R0.85 CCOC[C@H](NC)C(=O)OC CNP0524975.2 [0,2,0,0,0,0|1,0,1]=4 352 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|0,0,1]=3 353 B10R0.55 CCC(=O)CCC=CC(=O)C CNP0534993.0 [0,2,0,0,0,0|1,0,1]=4 354 B10R0.55 COC(=N)CCC=C[S+](C)[O-] CNP0510771.0 [0,2,0,0,0,0|2,0,0]=4 355 B10R0.55 COC(=O)CC=COC(=O)C CNP0064090.0 [0,2,0,0,0,0|0,0,1]=3 356 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,2,0,0,0,0|0,0,2]=4 357 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,2,0,0,0,0|0,0,2]=4 358 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,2,0,0,0,0|0,0,1]=3 359 B10R0.74 CC=CC#CC=CC(=O)OC CNP0382166.0 [0,2,0,0,0,0|0,0,2]=4 360 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,2,0,0,0,0|0,0,2]=4 361 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,2,0,0,0,0|0,0,0]=2 362 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,2,0,0,0,0|1,0,0]=3 363 B10R0.74 CCCC#CC=CC(=O)OC CNP0126459.0 [0,2,0,0,0,0|0,0,2]=4 364 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,2,0,0,0,0|0,0,0]=2 365 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,2,0,0,0,0|1,0,0]=3 366 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,2,0,0,0,0|0,0,2]=4 367 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,2,0,0,0,0|0,0,2]=4 368 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,2,0,0,0,0|0,0,2]=4 369 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,1]=4 370 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|1,0,1]=4 371 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [1,0,0,1,0,0|1,0,1]=4 372 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|1,0,1]=4 373 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,1]=3 375 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,1]=4 378 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [1,0,0,1,0,0|1,0,0]=3 379 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,0,0,1,0,0|1,0,0]=3 380 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|1,0,1]=4 381 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [1,0,0,1,0,0|1,0,1]=4 383 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|1,0,1]=4 386 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|1,0,1]=4 387 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [1,0,0,1,0,0|2,0,0]=4 388 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|0,0,2]=4 390 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|0,0,2]=4 391 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|0,0,2]=4 392 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,2]=4 393 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,2]=4 394 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|0,0,2]=4 395 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,2]=4 396 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,2]=4 397 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [1,0,0,1,0,0|1,0,1]=4 398 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,1]=4 399 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [1,0,0,1,0,0|1,0,0]=3 401 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [1,0,0,1,0,0|1,0,0]=3 402 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [1,0,0,1,0,0|1,0,1]=4 403 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|0,0,2]=4 404 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|1,0,1]=4 405 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|0,0,0]=2 407 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,1,0,0|1,0,0]=3 408 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|1,0,1]=4 409 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,1,0,0|1,0,1]=4 410 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|1,0,1]=4 411 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|1,0,1]=4 412 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,1,0,0|1,0,1]=4 413 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|1,0,1]=4 414 B10R1.13 C=C1CC=C(CC1)C(C)C CNP0371401.0 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 CNP0187318.1 [0,1,0,1,0,0|2,0,0]=4 417 B10R1.14 COC(=O)N1C=CC(=N1)C CNP0037180.0 [0,1,0,1,0,0|1,0,1]=4 418 B10R1.14 COC(=O)[C@@H]1CCC(=N1)O CNP0499878.1 [0,1,0,1,0,0|1,0,0]=3 419 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.14 COC(=O)[C@H]1CCC(=N1)O CNP0499878.2 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,1,0,1,0,0|1,0,0]=3 422 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,1,0,1,0,0|1,0,1]=4 423 B10R1.194 C=C1CC=C([C@H]1C)C(C)C CNP0389441.1 [0,1,0,1,0,0|2,0,0]=4 424 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,1,0,1,0,0|1,0,1]=4 425 B10R1.206 COC(=O)/C=C/[C@@H]1O[C@@H]1C CNP0362787.1 [0,1,0,1,0,0|0,0,2]=4 426 B10R1.206 COC(=O)/C=C/[C@@H]1O[C@H]1C CNP0362787.4 [0,1,0,1,0,0|0,0,2]=4 427 B10R1.206 COC(=O)/C=C/[C@H]1O[C@@H]1C CNP0362787.2 [0,1,0,1,0,0|0,0,2]=4 428 B10R1.206 COC(=O)/C=C/[C@H]1O[C@H]1C CNP0362787.3 [0,1,0,1,0,0|0,0,2]=4 429 B10R1.10 CC=CC1=CC(=O)OCC1 CNP0430897.0 [0,1,0,1,0,0|0,0,2]=4 430 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,1,0,0|0,0,0]=2 431 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,1,0,0|1,0,1]=4 432 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,1,0,0|1,0,1]=4 433 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [0,1,0,1,0,0|1,0,1]=4 434 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,1,0,0|0,0,2]=4 435 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,1,0,0|0,0,2]=4 436 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,2]=4 437 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|1,0,0]=3 438 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,1,0,1,0,0|0,0,2]=4 439 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,1,0,1,0,0|0,0,0]=2 440 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,1,0,0|0,0,2]=4 441 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,1,0,1,0,0|0,0,2]=4 442 B10R1.411 COC(=O)C1(CCCC1)N CNP0570869.0 [0,1,0,1,0,0|0,0,2]=4 443 B10R1.411 COC(=O)[C@@]1(CCSC1)N CNP0515749.2 [0,1,0,1,0,0|1,0,1]=4 444 B10R1.411 COC(=O)[C@]1(CCSC1)N CNP0515749.1 [0,1,0,1,0,0|1,0,1]=4 445 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [0,1,0,1,0,0|1,0,1]=4 446 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|2,0,0]=4 448 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,1,0,1,0,0|0,0,2]=4 449 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,1,0,1,0,0|0,0,2]=4 450 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [0,1,0,1,0,0|1,0,1]=4 451 B10R1.149 COC(=O)N1N=CC=C1C CNP0206322.0 [0,1,0,1,0,0|1,0,1]=4 452 B10R1.149 COC(=O)[C@@H]1CCCN1N CNP0562271.1 [0,1,0,1,0,0|1,0,1]=4 453 B10R1.256 CCC1=C(C(=O)NC1=O)C CNP0185168.0 [0,1,0,1,0,0|2,0,0]=4 454 B10R1.256 CCC1=C(C(=O)OC1=O)C CNP0355701.0 [0,1,0,1,0,0|2,0,0]=4 455 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,1,0,1,0,0|1,0,0]=3 456 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|0,0,2]=4 457 B10R2.25 O=C1C(=O)[C@H]2C=C[C@@H]1C2 CNP0187201.1 [0,0,0,2,0,0|2,0,0]=4