0 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 C=CCSS(=O)OC CNP0499912.0 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [0,0,0,0,0,0|2,1,1]=4 16 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [0,0,0,0,0,0|2,1,1]=4 17 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,0,0,0,0,0|0,0,0]=0 25 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,0,0,0,0,0|0,1,2]=3 26 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,0,0,0,0|0,0,0]=1 42 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,0,0,0,0|0,1,0]=2 43 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,0,0,0,0,0|1,1,1]=4 45 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [1,0,0,0,0,0|1,1,1]=4 50 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.1 CCOC(C)OC CNP0612171.0 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.1 COC(=O)C#CBr CNP0419364.0 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.1 COC(=O)C=NO CNP0235637.0 [1,0,0,0,0,0|1,1,1]=4 63 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,0,0,0,0,0|0,1,1]=3 64 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,0,0,0,0|0,0,0]=1 65 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,0,0,0,0|0,1,0]=2 66 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,0,0,0,0,0|2,1,0]=4 67 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.4 CCCCB(O)O CNP0482760.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.4 CNCCC(C)C CNP0254439.0 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,0,0,0,0|1,1,1]=4 102 B6R0.4 COCCC(C)C CNP0316382.0 [1,0,0,0,0,0|1,1,1]=4 103 B6R0.4 COCCN(C)C CNP0429553.0 [1,0,0,0,0,0|2,1,0]=4 104 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,0,0,0,0,0|1,0,2]=4 105 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|0,0,2]=3 106 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|0,0,0]=1 107 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|1,0,0]=2 108 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|0,0,0]=1 109 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,0,0,0,0|0,0,2]=3 110 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|1,0,0]=2 111 B6R0.4 CSSC[S@@+](C)[O-] CNP0590331.1 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.4 CSSC[S@@H+](C)[O-] CNP0509730.1 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.6 CC=CSSSC CNP0265306.0 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|1,0,1]=3 134 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|1,0,1]=3 135 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.6 CCSSCSC CNP0003140.0 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.6 COCCCCO CNP0570905.0 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.6 CSCCCC#N CNP0286857.0 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.6 CSCCCCO CNP0002400.0 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.6 CSCCCN=S CNP0092190.0 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.6 CSCCN=C=S CNP0002691.0 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,0,0,0,0|1,0,1]=3 145 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,0,0,0,0|1,0,0]=2 149 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,0,0,0,0|2,0,0]=3 152 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,0,0,0,0|0,0,0]=1 153 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,1,0,0,0,0|0,1,0]=2 162 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,1,0,0,0,0|0,1,0]=2 163 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,0,0,0,0|1,0,2]=4 167 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,0,0,0,0|1,0,1]=3 170 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,0,0,0,0|1,1,0]=3 174 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,0,0,0,0|2,0,0]=3 175 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,1,0,0,0,0|1,0,2]=4 177 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,0,0,0,0|0,1,0]=2 179 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,0,0,0,0|1,0,0]=2 187 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,0|2,0,0]=3 193 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,0|1,0,1]=3 198 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,0|1,0,0]=2 199 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,1,0,0,0,0|2,0,0]=3 200 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,0|1,0,0]=2 202 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,1,0,0,0,0|2,0,0]=3 203 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,0|1,1,0]=3 204 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.11 CCCCC(OC)OC CNP0417281.0 [0,1,0,0,0,0|1,0,2]=4 208 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,1,0,0,0,0|1,0,1]=3 211 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,0,0,0,0|2,0,0]=3 213 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,1,0,0,0,0|1,0,2]=4 218 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,1,0,0,0,0|2,0,1]=4 219 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,1,0,0,0,0|0,1,1]=3 220 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,0,0,0,0|0,0,0]=1 221 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,1,0,0,0,0|1,1,1]=4 222 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,0,0,1,0,0|3,0,0]=4 223 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,0,0,1,0,0|2,1,0]=4 225 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,0,0,1,0,0|2,1,0]=4 228 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,0,0,1,0,0|0,1,2]=4 229 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,0,0,1,0,0|1,1,1]=4 230 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,0,0,1,0,0|2,1,0]=4 231 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,0,0,1,0,0|0,1,0]=2 232 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,0,0,1,0,0|3,0,0]=4 233 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,0|2,0,0]=3 241 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,1,0,0|3,0,0]=4 248 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|1,0,0]=2 252 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,1,0,0|3,0,0]=4 253 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,0,0,1,0,0|3,0,0]=4 256 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,0,0,1,0,0|3,0,0]=4 259 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,1,0,0|3,0,0]=4 260 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,0,0,1,0,0|3,0,0]=4 261 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 262 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|1,0,0]=3 263 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|1,1,0]=4 264 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 265 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|0,0,2]=4 266 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,2]=4 267 B5R0.1 CC(=CCS)C CNP0262600.0 [2,0,0,0,0,0|1,0,1]=4 268 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|0,1,0]=3 269 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|0,0,0]=2 270 B5R0.1 CC(=O)OCS CNP0547679.0 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|1,0,1]=4 272 B5R0.1 CC(O)CCS CNP0002409.0 [2,0,0,0,0,0|0,0,2]=4 273 B5R0.1 CC(S)CCS CNP0003105.0 [2,0,0,0,0,0|0,1,1]=4 274 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|0,0,2]=4 275 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,2]=4 276 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|0,0,2]=4 278 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,0]=2 279 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 281 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 282 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|1,0,1]=4 283 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|0,1,1]=4 284 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|0,0,2]=4 285 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 286 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|0,0,2]=4 287 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|0,0,2]=4 288 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,0]=3 289 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|1,0,0]=3 290 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 291 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|1,0,0]=3 293 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|1,0,0]=3 294 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 295 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 296 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 297 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|0,1,0]=3 298 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|0,1,0]=3 299 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|0,0,0]=2 300 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|0,0,0]=2 301 B5R0.1 CSCC(C)C CNP0405087.0 [2,0,0,0,0,0|1,0,1]=4 302 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [2,0,0,0,0,0|1,0,1]=4 303 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|0,1,0]=3 304 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|0,1,0]=3 305 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 307 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|1,1,0]=4 311 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|0,1,0]=3 312 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|0,0,0]=2 313 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|1,1,0]=4 314 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|0,1,1]=4 315 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 316 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|1,0,1]=4 317 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.2 C=CCSSC CNP0333880.0 [2,0,0,0,0,0|1,0,1]=4 319 B5R0.2 CC=C=COC CNP0519318.0 [2,0,0,0,0,0|0,0,2]=4 320 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|1,0,1]=4 321 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|1,1,0]=4 323 B5R0.2 CC=CSSC CNP0214071.0 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|0,1,1]=4 325 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|1,0,1]=4 326 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|1,0,1]=4 330 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|1,0,1]=4 331 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|0,0,1]=3 333 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|0,0,1]=3 334 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.2 CNCCNC CNP0480039.0 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.2 COC=COC CNP0416791.0 [2,0,0,0,0,0|0,1,1]=4 340 B5R0.2 COCCOC CNP0144142.0 [2,0,0,0,0,0|0,1,0]=3 341 B5R0.2 CSC=CSC CNP0075985.0 [2,0,0,0,0,0|0,1,1]=4 342 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|0,0,0]=2 343 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|1,0,1]=4 344 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|0,0,1]=3 345 B5R0.2 CSCSSC CNP0313036.0 [2,0,0,0,0,0|1,1,0]=4 346 B5R0.2 N#CCCC=O CNP0181263.0 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.3 C#CC(=O)OC CNP0572702.0 [2,0,0,0,0,0|0,0,2]=4 350 B5R0.3 C=CC(=O)CC CNP0362181.0 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.3 C=CC(=O)OC CNP0217866.0 [2,0,0,0,0,0|0,0,2]=4 352 B5R0.3 CC=C(C)CC CNP0247687.0 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.3 CCC(=O)CC CNP0270305.0 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.3 CCC(=O)CO CNP0165007.0 [2,0,0,0,0,0|1,1,0]=4 356 B5R0.3 CCC(=O)NN CNP0281170.0 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.3 CCC(=O)OC CNP0166631.0 [2,0,0,0,0,0|0,0,0]=2 358 B5R0.3 CCC(=O)SC CNP0240172.0 [2,0,0,0,0,0|0,1,0]=3 359 B5R0.3 CNC(=O)NC CNP0028412.0 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.3 CNC(=O)OC CNP0483114.0 [2,0,0,0,0,0|1,0,0]=3 361 B5R0.3 COC(=O)CI CNP0017842.0 [2,0,0,0,0,0|1,0,0]=3 362 B5R0.3 COC(=O)NN CNP0033099.0 [2,0,0,0,0,0|2,0,0]=4 363 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,1,0,0,0,0|2,0,0]=4 364 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,1,0,0,0,0|2,0,0]=4 366 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,1,0,0,0,0|0,0,2]=4 367 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,1,0,0,0,0|0,0,1]=3 368 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|0,1,1]=4 369 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|0,0,0]=2 370 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|0,0,0]=2 371 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,1,0,0,0,0|1,0,0]=3 372 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|0,0,0]=2 373 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|0,0,0]=2 374 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,1,0,0,0,0|0,0,1]=3 375 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,1,0,0,0,0|0,0,1]=3 376 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|0,1,0]=3 377 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,1,0,0,0,0|2,0,0]=4 378 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|1,1,0]=4 379 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|2,0,0]=4 381 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|2,0,0]=4 382 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,1,0,0,0,0|1,0,0]=3 383 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,1,0,0,0,0|1,0,0]=3 385 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,1,0,0,0,0|2,0,0]=4 386 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,1,0,0,0,0|2,0,0]=4 390 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,1,0,0,0,0|2,0,0]=4 391 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,1,0,0,0,0|2,0,0]=4 392 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,1,0,0,0,0|0,0,2]=4 393 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,1,0,0,0,0|0,0,2]=4 395 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|2,0,0]=4 396 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,1,0,0,0,0|1,0,0]=3 397 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,1,0,0,0,0|0,0,0]=2 398 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,1,0,0,0,0|0,1,0]=3 399 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,1,0,0,0,0|0,0,0]=2 401 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,1,0,0,0,0|1,0,0]=3 402 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,1,0,0,0,0|0,0,0]=2 403 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [1,1,0,0,0,0|0,0,2]=4 408 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,1,0,0,0,0|1,0,0]=3 410 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,1,0,0,0,0|1,0,0]=3 411 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,1,0,0,0,0|0,0,0]=2 412 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,1,0,0,0,0|0,0,0]=2 414 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,1,0,0,0,0|1,0,0]=3 415 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [1,1,0,0,0,0|0,1,1]=4 417 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,1,0,0,0,0|0,1,0]=3 418 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [1,1,0,0,0,0|0,1,0]=3 419 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [1,1,0,0,0,0|0,0,0]=2 420 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [1,1,0,0,0,0|0,1,0]=3 421 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [1,1,0,0,0,0|0,1,1]=4 422 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [1,1,0,0,0,0|0,0,0]=2 423 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [1,1,0,0,0,0|0,1,0]=3 424 B7R0.11 CCCS(=O)(=O)SC CNP0187882.0 [1,1,0,0,0,0|1,1,0]=4 425 B7R0.11 CSCS(=O)(=O)SC CNP0147013.0 [1,1,0,0,0,0|1,1,0]=4 426 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,1,0,0,0,0|2,0,0]=4 428 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,1,0,0,0,0|1,0,1]=4 432 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|1,0,1]=4 436 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|1,1,0]=4 443 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|1,0,0]=3 444 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|0,1,0]=3 447 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|0,1,0]=3 448 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|0,1,0]=3 450 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,1,0,0,0,0|0,1,0]=3 451 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|1,0,0]=3 456 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,1,0,0,0,0|1,0,1]=4 458 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,1,0,0,0,0|1,0,0]=3 461 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|1,0,0]=3 465 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,1,0,0,0,0|2,0,0]=4 467 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,1,0,0,0,0|2,0,0]=4 468 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|2,0,0]=4 469 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|2,0,0]=4 471 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,1,0,0,0,0|0,0,1]=3 474 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,1,0,0,0,0|0,0,1]=3 477 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,1,0,0,0,0|0,0,1]=3 478 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,1,0,0,0,0|0,0,2]=4 479 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,1,0,0,0,0|0,0,2]=4 480 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,1,0,0,0,0|0,0,1]=3 481 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [1,1,0,0,0,0|2,0,0]=4 484 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [1,1,0,0,0,0|2,0,0]=4 485 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.8 CNCCP(=O)(O)O CNP0289826.0 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.8 CNCCS(=O)(=O)O CNP0173861.0 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.8 CSCCS(=O)(=O)O CNP0358914.0 [1,1,0,0,0,0|1,0,0]=3 490 B7R0.8 CSCSS(=O)(=O)C CNP0177425.0 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.1 CC=CCCCCC CNP0199237.0 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.1 CC=CCSCCC CNP0536250.0 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.1 CCC=CCCCC CNP0084702.0 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.1 CCCCC=CCO CNP0191159.0 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.1 CCCCCOCC CNP0520137.0 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.1 CCCCCSSC CNP0201479.0 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.1 CSCCCC=NO CNP0610383.0 [1,1,0,0,0,0|2,0,0]=4 499 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,2,0,0,0,0|2,0,0]=4 500 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,2,0,0,0,0|2,0,0]=4 501 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,2,0,0,0,0|1,0,0]=3 502 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,2,0,0,0,0|1,0,1]=4 503 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,2,0,0,0,0|1,0,1]=4 504 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,2,0,0,0,0|2,0,0]=4 505 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,2,0,0,0,0|2,0,0]=4 506 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,2,0,0,0,0|2,0,0]=4 507 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|1,0,1]=4 508 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|1,0,1]=4 509 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|2,0,0]=4 510 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|2,0,0]=4 511 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,2,0,0,0,0|0,0,0]=2 515 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|1,0,0]=3 516 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,2,0,0,0,0|2,0,0]=4 517 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,2,0,0,0,0|1,0,0]=3 518 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [0,2,0,0,0,0|2,0,0]=4 519 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,2,0,0,0,0|0,0,0]=2 520 B9R0.8 CSCCC(=O)C(=CO)O CNP0001738.0 [0,2,0,0,0,0|1,0,1]=4 521 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,2,0,0,0,0|1,0,0]=3 522 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,2,0,0,0,0|1,0,0]=3 524 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,2,0,0,0,0|2,0,0]=4 525 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,2,0,0,0,0|1,0,0]=3 526 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,2,0,0,0,0|1,0,0]=3 527 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,2,0,0,0,0|0,0,0]=2 528 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,2,0,0,0,0|1,0,0]=3 529 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,2,0,0,0,0|1,0,0]=3 530 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,2,0,0,0,0|1,0,1]=4 531 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,2,0,0,0,0|1,0,1]=4 532 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,2,0,0,0,0|1,0,0]=3 534 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [0,2,0,0,0,0|1,0,0]=3 535 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|1,0,0]=3 537 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,2,0,0,0,0|2,0,0]=4 538 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|1,0,0]=3 540 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,2,0,0,0,0|2,0,0]=4 541 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,2,0,0,0,0|0,0,1]=3 542 B9R0.12 CN[C@@H](COC)C(=O)OC CNP0562303.1 [0,2,0,0,0,0|0,1,0]=3 543 B9R0.12 CN[C@H](COC)C(=O)OC CNP0562303.2 [0,2,0,0,0,0|0,1,0]=3 544 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,2,0,0,0,0|1,0,1]=4 545 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.23 COC(=O)[C@@H](N)CC(=O)N CNP0041402.1 [0,2,0,0,0,0|2,0,0]=4 548 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,2,0,0,0,0|1,0,0]=3 549 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [0,2,0,0,0,0|1,0,0]=3 550 B9R0.23 COC(=O)[C@H](N)CC(=O)N CNP0041402.2 [0,2,0,0,0,0|2,0,0]=4 551 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,2,0,0,0,0|1,0,0]=3 552 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [0,2,0,0,0,0|1,0,0]=3 553 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.27 CCC(=O)[C@@H](C)[C@@H](O)CC CNP0412913.2 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.27 CCC(=O)[C@H](C)[C@H](O)CC CNP0412913.1 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,2,0,0,0,0|1,0,1]=4 557 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [0,2,0,0,0,0|1,0,0]=3 558 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,2,0,0,0,0|1,0,0]=3 559 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,2,0,0,0,0|1,0,0]=3 560 B9R0.27 COC(=O)C(O)C(=O)OC CNP0327045.0 [0,2,0,0,0,0|0,1,1]=4 561 B9R0.60 COC[C@@](C)(N)C(=O)OC CNP0570502.2 [0,2,0,0,0,0|0,1,0]=3 562 B9R0.60 COC[C@](C)(N)C(=O)OC CNP0570502.1 [0,2,0,0,0,0|0,1,0]=3 563 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,2,0,0,0,0|2,0,0]=4 564 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,2,0,0,0,0|1,0,0]=3 565 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,2,0,0,0,0|1,0,1]=4 567 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,2,0,0,0,0|1,0,0]=3 568 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,2,0,0,0,0|1,0,0]=3 569 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,2,0,0,0,0|2,0,0]=4 570 B9R0.20 CSCSCS(=O)(=O)SC CNP0149615.0 [0,2,0,0,0,0|1,1,0]=4 571 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,2,0,0,0,0|2,0,0]=4 575 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,2,0,0,0,0|1,0,1]=4 577 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,2,0,0,0,0|1,0,1]=4 578 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,2,0,0,0,0|1,0,0]=3 580 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,2,0,0,0,0|0,1,0]=3 581 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,2,0,0,0,0|1,0,0]=3 583 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,2,0,0,0,0|1,0,0]=3 584 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,2,0,0,0,0|1,0,0]=3 586 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,2,0,0,0,0|2,0,0]=4 587 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,2,0,0,0,0|2,0,0]=4 589 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,2,0,0,0,0|2,0,0]=4 590 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,2,0,0,0,0|2,0,0]=4 591 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,2,0,0,0,0|2,0,0]=4 594 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [0,2,0,0,0,0|1,0,0]=3 597 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [0,2,0,0,0,0|2,0,0]=4 600 B9R0.21 COC(=O)CCS(=O)(=O)C CNP0017539.0 [0,2,0,0,0,0|0,0,1]=3 601 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|2,0,0]=4 602 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|0,0,2]=4 603 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,0]=3 604 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|2,0,0]=4 605 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,0]=3 606 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 607 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|0,0,0]=2 609 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|2,0,0]=4 610 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|0,0,0]=2 611 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [1,0,0,1,0,0|1,1,0]=4 612 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|1,1,0]=4 613 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|0,1,0]=3 614 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|1,1,0]=4 615 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|0,1,0]=3 616 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,0,1]=4 619 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 620 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,2]=4 621 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|1,0,1]=4 622 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,0]=3 623 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,0]=3 624 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,0]=2 625 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|1,1,0]=4 627 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,1]=4 628 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 629 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 630 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,1,0,0|2,0,0]=4 631 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [1,0,0,1,0,0|1,1,0]=4 632 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|1,0,1]=4 633 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|1,1,0]=4 634 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|1,0,0]=3 635 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|1,0,0]=3 636 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|1,0,0]=3 637 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|2,0,0]=4 638 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|1,1,0]=4 639 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|2,0,0]=4 641 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|1,1,0]=4 642 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,1,0,0|2,0,0]=4 643 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [1,0,0,1,0,0|0,0,0]=2 644 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [1,0,0,1,0,0|0,0,0]=2 645 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [1,0,0,1,0,0|1,0,1]=4 646 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [1,0,0,1,0,0|1,0,1]=4 647 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|2,0,0]=4 649 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|2,0,0]=4 651 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,1,0,1,0,0|1,0,0]=3 655 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,1,0,0|1,0,1]=4 664 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|1,0,0]=3 674 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,1,0,1,0,0|1,0,1]=4 676 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,1,0,0|1,0,1]=4 677 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,1,0,1,0,0|1,0,0]=3 678 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,1,0,1,0,0|1,1,0]=4 682 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,1,0,1,0,0|1,0,0]=3 683 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,1,0,1,0,0|2,0,0]=4 686 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|2,0,0]=4 687 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,2,0,0|2,0,0]=4 688 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|2,0,0]=4 689 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,0,0,2,0,0|1,1,0]=4 690 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,0,0,2,0,0|1,0,0]=3