0 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,0,0,0,0,0|0,0,2]=2 4 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,0,0,0,0,0|2,1,1]=4 7 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,0,0,0,0,0|0,0,2]=2 8 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,0,0,0,0,0|2,1,1]=4 11 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.10 OCCC1OCCC(O1)O CNP0338052.0 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,0,0,0|0,0,0]=1 18 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 CNP0329486.1 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.24 CSCC[C@H]1CCNC(=S)O1 CNP0184861.1 [0,1,0,0,0,0|1,1,0]=3 39 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C CNP0362437.1 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.157 CC(=O)C[C@H]1CCCC(=N1)C CNP0260516.1 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.157 CC1=N[C@H](CCC1)C[C@@H](C)O CNP0113372.1 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.157 C[C@@H]1CCC[C@@H](N1)C[C@@H](C)O CNP0140352.2 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@@H](N1)C CNP0140352.3 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@H](N1)C CNP0140352.1 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [0,1,0,0,0,0|0,0,2]=3 47 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.182 C/C=C/[C@@H]1OC(=O)CCC1O CNP0605853.1 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,0,1,0,0,0|1,0,2]=4 51 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,1,0,0,0|2,0,0]=3 52 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,1,0,0,0|3,0,0]=4 53 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,0,1,0,0,0|0,0,2]=3 54 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,1,0,0,0|1,0,2]=4 55 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,1,0,0,0|0,0,2]=3 56 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,0,1,0,0,0|0,0,2]=3 57 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,1,0,0,0|1,0,2]=4 58 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,0,1,0,0,0|0,0,2]=3 59 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,1,0,0,0|1,0,0]=2 60 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,1,0,0,0|1,0,0]=2 61 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,1,0,0,0|1,0,0]=2 62 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,1,0,0,0|0,0,0]=1 63 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,1,0,0,0|0,0,1]=2 64 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,1,0,0,0|0,0,1]=2 65 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,1,0,0,0|0,0,1]=2 66 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,1,0,0,0|0,0,1]=2 67 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,1,0,0,0|0,0,1]=2 68 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,1,0,0,0|0,0,1]=2 69 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,0,1,0,0,0|2,0,1]=4 70 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,0,1,0,0,0|1,0,1]=3 71 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,0,1,0,0,0|1,0,1]=3 72 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,0,1,0,0,0|1,0,0]=2 73 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,0,1,0,0,0|1,0,1]=3 74 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,1,0,0,0|2,0,0]=3 75 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,1,0,0,0|1,0,0]=2 76 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,0,1,0,0,0|2,0,0]=3 77 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,0,1,0,0,0|1,0,0]=2 78 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,0,1,0,0,0|1,0,2]=4 79 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,0,1,0,0,0|1,0,2]=4 80 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,0,1,0,0,0|0,0,2]=3 81 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,0,1,0,0,0|1,0,2]=4 82 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,0,1,0,0,0|0,0,2]=3 83 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,0,1,0,0,0|2,0,1]=4 84 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,0,1,0,0,0|1,0,0]=2 85 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,0,1,0,0,0|2,0,0]=3 86 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,0,1,0,0,0|2,0,0]=3 87 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,0,1,0,0,0|2,0,1]=4 88 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,0,1,0,0,0|1,0,1]=3 89 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,0,1,0,0,0|2,0,1]=4 90 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,0,1,0,0,0|0,0,0]=1 91 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,0,1,0,0,0|2,0,1]=4 92 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,0,1,0,0,0|3,0,0]=4 93 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [0,0,1,0,0,0|0,0,2]=3 94 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [0,0,1,0,0,0|0,0,2]=3 95 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,0,1,0,0,0|0,0,0]=1 96 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,0,1,0,0,0|2,0,1]=4 97 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,0,1,0,0,0|0,0,0]=1 98 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,0,1,0,0,0|3,0,0]=4 99 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,0,1,0,0,0|3,0,0]=4 100 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,1,0,0|1,0,1]=3 101 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,1,0,0|1,0,1]=3 102 B11R2.350 CC=CC1C2C1C(=O)CC2 CNP0611323.0 [0,0,0,1,0,0|1,0,2]=4 103 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,0,1,0|1,0,1]=3 105 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,0,1,0|0,0,0]=1 106 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,0,0,0,1,0|2,0,1]=4 107 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,0,0,1,0|1,0,0]=2 108 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,0,0,0,1,0|1,0,0]=2 109 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,0,1,0,0,0|0,0,2]=4 110 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,1,0,0,0|1,0,0]=3 111 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,1,0,0,0|2,0,0]=4 112 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,1,0,0,0|0,0,2]=4 113 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,1,0,0,0|1,0,1]=4 114 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,1,0,0,0|0,0,2]=4 115 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,1,0,0,0|1,0,1]=4 116 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,0,1,0,0,0|1,0,1]=4 117 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,0,1,0,0,0|1,0,0]=3 118 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,1,0,0,0|2,0,0]=4 119 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,1,0,0,0|0,0,2]=4 120 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,1,0,0,0|2,0,0]=4 121 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,1,0,0,0|0,0,2]=4 122 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,1,0,0,0|0,0,1]=3 123 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,1,0,0,0|1,0,1]=4 124 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,1,0,0,0|1,0,1]=4 125 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,1,0,0,0|0,0,0]=2 126 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,1,0,0,0|1,0,1]=4 127 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,1,0,0,0|1,0,1]=4 128 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,1,0,0,0|0,0,1]=3 129 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,1,0,0,0|2,0,0]=4 130 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,1,0,0,0|1,0,0]=3 131 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,1,0,0,0|0,0,0]=2 132 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,1,0,0,0|1,0,0]=3 133 B8R0.4 CCCCNCCCC CNP0203128.0 [1,0,1,0,0,0|1,0,1]=4 134 B8R0.4 CCCCOCCCC CNP0077266.0 [1,0,1,0,0,0|0,0,1]=3 135 B8R0.4 CCCCOCCCO CNP0141373.0 [1,0,1,0,0,0|1,0,1]=4 136 B8R0.4 CCCCSCCCC CNP0370059.0 [1,0,1,0,0,0|0,1,1]=4 137 B8R0.4 CCCCSSCCC CNP0003137.0 [1,0,1,0,0,0|1,1,0]=4 138 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,1,0,0,0|1,0,0]=3 139 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,1,0,0,0|0,0,2]=4 140 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,1,0,0,0|0,0,2]=4 141 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,1,0,0,0|0,0,2]=4 142 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,1,0,0,0|1,0,1]=4 143 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,1,0,0,0|1,0,0]=3 144 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,1,0,0,0|1,0,0]=3 145 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,1,0,0,0|1,0,0]=3 146 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,1,0,0,0|0,0,0]=2 147 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,1,0,0,0|1,0,1]=4 148 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,1,0,0,0|1,0,1]=4 149 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,1,0,0,0|1,0,0]=3 150 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,1,0,0,0|1,0,1]=4 151 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,1,0,0,0|2,0,0]=4 152 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,1,0,0,0|1,0,0]=3 153 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,1,0,0,0|2,0,0]=4 154 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,1,0,0,0|1,0,0]=3 155 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,1,0,0,0|1,0,0]=3 156 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,1,0,0,0|1,0,1]=4 157 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,0,1,0,0,0|0,0,1]=3 158 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,0,1,0,0,0|0,0,1]=3 159 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [1,0,1,0,0,0|0,0,2]=4 160 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,0,1,0,0,0|0,0,2]=4 161 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,0,1,0,0,0|1,0,1]=4 162 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,0,1,0,0,0|1,0,0]=3 163 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,0,1,0,0,0|0,0,0]=2 164 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,0,1,0,0,0|1,0,0]=3 165 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,0,1,0,0,0|1,0,1]=4 166 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,0,1,0,0,0|0,0,1]=3 167 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,0,1,0,0,0|0,0,0]=2 168 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,0,1,0,0,0|1,0,1]=4 169 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [1,0,1,0,0,0|1,0,1]=4 170 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,0,1,0,0,0|2,0,0]=4 171 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,0,1,0,0,0|2,0,0]=4 172 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,0,1,0,0,0|0,0,2]=4 173 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,0,1,0,0,0|1,0,1]=4 174 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,0,1,0,0,0|1,0,0]=3 175 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,0,1,0,0,0|2,0,0]=4 176 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,1,0,0,0|2,0,0]=4 177 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,0,1,0,0,0|2,0,0]=4 178 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,0,1,0,0,0|1,0,1]=4 179 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,0,1,0,0,0|1,0,1]=4 180 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,0,1,0,0,0|0,0,0]=2 181 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,0,1,0,0,0|2,0,0]=4 182 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,0,1,0,0,0|1,0,1]=4 183 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,0,1,0,0,0|1,0,0]=3 184 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,0,1,0,0,0|2,0,0]=4 185 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,0,1,0,0,0|0,0,0]=2 186 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,0,1,0,0,0|1,0,0]=3 187 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [1,0,1,0,0,0|2,0,0]=4 188 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [1,0,1,0,0,0|2,0,0]=4 189 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,0,1,0,0,0|0,0,2]=4 190 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [1,0,1,0,0,0|2,0,0]=4 191 B8R0.22 CCCC(CO)CCC CNP0538708.0 [1,0,1,0,0,0|0,0,2]=4 192 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [1,0,1,0,0,0|1,0,0]=3 193 B8R0.22 CCOC(CC)OCC CNP0017880.0 [1,0,1,0,0,0|1,0,1]=4 194 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,0,1,0,0,0|1,0,1]=4 195 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,0,1,0,0,0|1,0,0]=3 196 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,0,1,0,0,0|1,0,0]=3 197 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,0,1,0,0,0|1,0,1]=4 198 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,0,1,0,0,0|0,0,0]=2 199 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,0,1,0,0,0|2,0,0]=4 200 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 CCC1CCCCC1 CNP0300322.0 [2,0,0,0,0,0|1,0,1]=4 202 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [2,0,0,0,0,0|0,0,1]=3 203 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [2,0,0,0,0,0|0,0,1]=3 205 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [2,0,0,0,0,0|1,0,1]=4 207 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [2,0,0,0,0,0|1,0,1]=4 208 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [2,0,0,0,0,0|1,0,1]=4 210 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [2,0,0,0,0,0|0,0,2]=4 212 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [2,0,0,0,0,0|1,0,0]=3 213 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [2,0,0,0,0,0|0,0,0]=2 214 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [2,0,0,0,0,0|0,0,2]=4 215 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [2,0,0,0,0,0|0,0,0]=2 217 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [2,0,0,0,0,0|1,1,0]=4 218 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [2,0,0,0,0,0|1,0,1]=4 219 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,1,0,0,0|0,0,1]=3 220 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,1,0,0,0|2,0,0]=4 221 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,1,1,0,0,0|0,0,0]=2 222 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,1,0,0,0|0,0,1]=3 223 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,1,1,0,0,0|1,0,1]=4 224 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,1,0,0,0|0,0,1]=3 225 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,1,0,0,0|1,0,0]=3 226 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,1,1,0,0,0|1,0,1]=4 227 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,1,0,0,0|0,0,1]=3 228 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,1,0,0,0|1,0,1]=4 229 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,1,1,0,0,0|0,0,1]=3 230 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,1,1,0,0,0|1,0,1]=4 231 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,1,0,0,0|0,0,1]=3 232 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,1,0,0,0|1,0,1]=4 233 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,1,0,0,0|1,0,1]=4 234 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,1,0,0,0|1,0,1]=4 235 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,1,0,0,0|0,0,1]=3 236 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,1,0,0,0|1,0,0]=3 237 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,1,0,0,0|1,0,0]=3 238 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,1,0,0,0|1,0,0]=3 239 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,1,0,0,0|0,0,0]=2 240 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,1,1,0,0,0|1,0,1]=4 241 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,1,1,0,0,0|1,0,1]=4 242 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,1,0,0,0|1,0,0]=3 243 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,1,0,0,0|2,0,0]=4 244 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,1,0,0,0|0,0,0]=2 245 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,1,0,0,0|1,0,0]=3 246 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,1,0,0,0|1,0,0]=3 247 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,1,0,0,0|0,0,0]=2 248 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,1,0,0,0|0,0,0]=2 249 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,1,0,0,0|0,0,1]=3 250 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,1,0,0,0|0,0,0]=2 251 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,1,0,0,0|0,0,0]=2 252 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,1,0,0,0|2,0,0]=4 253 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,1,0,0,0|0,0,0]=2 254 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,1,0,0,0|1,0,0]=3 255 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,1,1,0,0,0|2,0,0]=4 256 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,1,1,0,0,0|2,0,0]=4 257 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [0,1,1,0,0,0|0,0,2]=4 258 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,1,1,0,0,0|1,0,1]=4 259 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,1,0,0,0|0,0,0]=2 260 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,1,1,0,0,0|1,0,1]=4 261 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,1,0,0,0|1,0,0]=3 262 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,1,1,0,0,0|1,0,1]=4 263 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,1,0,0,0|0,0,2]=4 264 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,1,1,0,0,0|0,0,2]=4 265 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,1,1,0,0,0|0,0,2]=4 266 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,1,0,0,0|0,0,2]=4 267 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,1,0,0,0|1,0,0]=3 268 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,1,0,0,0|1,0,0]=3 269 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,1,0,0,0|0,0,0]=2 270 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,1,0,0,0|0,0,0]=2 271 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,1,0,0,0|0,1,0]=3 272 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,1,1,0,0,0|1,0,1]=4 273 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,1,1,0,0,0|1,0,1]=4 274 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,1,1,0,0,0|1,0,1]=4 275 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,1,0,0,0|2,0,0]=4 276 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,1,0,0,0|0,0,1]=3 277 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,1,0,0,0|0,0,0]=2 278 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,1,0,0,0|0,0,0]=2 279 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,1,0,0,0|0,0,0]=2 280 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,1,0,0,0|0,0,0]=2 281 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,1,0,0,0|0,0,0]=2 282 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,1,0,0,0|1,0,0]=3 283 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [0,1,1,0,0,0|2,0,0]=4 284 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,1,0,0,0|1,0,0]=3 285 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,1,1,0,0,0|1,0,1]=4 286 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,1,0,0,0|1,0,0]=3 287 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,1,0,0,0|1,0,0]=3 288 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [0,1,1,0,0,0|2,0,0]=4 289 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,1,1,0,0,0|2,0,0]=4 290 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,1,1,0,0,0|1,0,1]=4 291 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,1,1,0,0,0|0,0,0]=2 292 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,1,0,0,0|1,0,0]=3 293 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,1,1,0,0,0|1,0,1]=4 294 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,1,1,0,0,0|0,0,0]=2 295 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,1,1,0,0,0|1,0,1]=4 296 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,1,1,0,0,0|0,0,2]=4 297 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,1,1,0,0,0|0,0,0]=2 298 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [0,1,1,0,0,0|1,0,1]=4 299 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,1,1,0,0,0|0,0,1]=3 300 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,1,0,0,0|1,0,0]=3 301 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,1,1,0,0,0|1,0,0]=3 302 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,1,1,0,0,0|0,0,0]=2 303 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,1,1,0,0,0|0,0,1]=3 304 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,1,1,0,0,0|2,0,0]=4 305 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,1,1,0,0,0|2,0,0]=4 306 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,1,1,0,0,0|2,0,0]=4 307 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,1,1,0,0,0|1,0,1]=4 308 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,1,1,0,0,0|0,0,0]=2 309 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,1,1,0,0,0|2,0,0]=4 310 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,1,1,0,0,0|0,0,1]=3 311 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,1,1,0,0,0|0,0,0]=2 312 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,1,1,0,0,0|2,0,0]=4 313 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,1,1,0,0,0|2,0,0]=4 314 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,1,1,0,0,0|2,0,0]=4 315 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,1,1,0,0,0|1,0,0]=3 316 B10R0.24 CCCCCC(CO)CCC CNP0552368.0 [0,1,1,0,0,0|1,0,1]=4 317 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,1,1,0,0,0|0,0,2]=4 318 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,1,1,0,0,0|0,0,0]=2 319 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,1,1,0,0,0|1,0,1]=4 320 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,1,1,0,0,0|2,0,0]=4 321 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,1,1,0,0,0|1,0,1]=4 322 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,1,1,0,0,0|1,0,0]=3 323 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,1,1,0,0,0|1,0,0]=3 324 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,1,1,0,0,0|2,0,0]=4 325 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,1,1,0,0,0|1,0,0]=3 326 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,1,1,0,0,0|0,0,0]=2 327 B10R0.91 CCCCOC(=O)CN=C=O CNP0504348.0 [0,1,1,0,0,0|1,0,1]=4 328 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [0,1,1,0,0,0|1,0,0]=3 329 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,1,1,0,0,0|0,1,0]=3 330 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,1,1,0,0,0|0,0,0]=2 331 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,1,1,0,0,0|1,0,0]=3 332 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,1,1,0,0,0|1,0,0]=3 333 B10R0.70 CC(=O)NC(CO)CC(C)C CNP0182261.0 [0,1,1,0,0,0|2,0,0]=4 334 B10R0.79 CCOC(CC(=O)C)OCC CNP0288150.0 [0,1,1,0,0,0|2,0,0]=4 335 B10R0.26 CC(CC=O)OC(=O)C(C)O CNP0503832.0 [0,1,1,0,0,0|1,0,1]=4 336 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,1,1,0,0,0|2,0,0]=4 337 B10R0.46 CCC(=O)OC(C)C(=O)SC CNP0347510.0 [0,1,1,0,0,0|1,0,1]=4 338 B10R1.1 CCC[C@@H]1CC[C@@H](CN1)O CNP0303716.2 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.1 CCC[C@H]1CC[C@@H](CN1)O CNP0303716.1 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.4 CCC[C@@H]1CCCCN1C CNP0256186.1 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.4 CCC[C@H]1CCCCN1C CNP0256186.2 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 CNP0379746.1 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.18 CC(C)CC1CC=CCC1 CNP0084870.0 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 CNP0187318.1 [0,1,0,0,1,0|1,0,1]=4 354 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,1,0,0,1,0|0,0,1]=3 355 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,0,1,0|0,0,0]=2 357 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,0,1,0|0,0,0]=2 358 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,1,0,0,1,0|1,0,0]=3 359 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [0,1,0,0,1,0|1,0,0]=3 360 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,1,0,0,1,0|1,0,1]=4 361 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,1,0,0,1,0|1,0,1]=4 362 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,0,1,0|1,0,0]=3 363 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,1,0,0,1,0|1,0,1]=4 364 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,0,1,0|1,0,0]=3 365 B10R1.64 C[C@@H](O)C[C@@H]1CCCN1C CNP0115494.4 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.64 C[C@@H](O)C[C@H]1CCCN1C CNP0115494.1 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.64 C[C@H](O)C[C@@H]1CCCN1C CNP0115494.3 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.64 C[C@H](O)C[C@H]1CCCN1C CNP0115494.2 [0,1,0,0,1,0|2,0,0]=4 369 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,0,1,0|0,0,0]=2 370 B10R1.149 O=C1CCCN1C(P)CP CNP0217897.0 [0,1,0,0,1,0|2,0,0]=4 371 B10R1.527 COC[C@@]1(OCCC1=O)O CNP0224932.1 [0,1,0,0,1,0|2,0,0]=4 372 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,1,0,0,0,1|0,0,0]=2 373 B12R1.874 CC(=O)C[C@@H]1CCCCC(=O)C1 CNP0190031.1 [0,1,0,0,0,1|1,0,1]=4 374 B12R1.40 C/C=C/[C@@H]1OC(=O)C[C@@H]([C@@H]1C)O CNP0359765.1 [0,2,0,0,0,0|0,0,2]=4 375 B12R1.40 C/C=C/[C@H]1OC(=O)C[C@H]([C@@H]1C)O CNP0359765.2 [0,2,0,0,0,0|0,0,2]=4 376 B12R1.40 CC=C[C@@H]1OC(=O)C[C@@H]([C@@H]1C)O CNP0359765.3 [0,2,0,0,0,0|0,0,2]=4 377 B12R1.358 CC[C@H](C)[C@@H]1C[C@@H](CC(=O)O1)O CNP0207756.1 [0,2,0,0,0,0|0,0,0]=2 378 B12R1.28 CC/C=C/C[C@@H]1CCCC(=O)O1 CNP0270021.2 [0,2,0,0,0,0|0,0,0]=2 379 B12R1.28 CC/C=C\C[C@@H]1CC=CC(=O)O1 CNP0304703.1 [0,2,0,0,0,0|0,0,2]=4 380 B12R1.28 CC/C=C\C[C@H]1CCCC(=O)O1 CNP0270021.1 [0,2,0,0,0,0|0,0,0]=2 381 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,2,0,0,0,0|0,0,2]=4 383 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,2,0,0,0,0|0,0,0]=2 384 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,2,0,0,0,0|0,0,0]=2 385 B12R1.101 C[C@@H](O)C[C@@H]1C[C@@H](CC(=O)O1)O CNP0233374.2 [0,2,0,0,0,0|0,0,0]=2 386 B12R1.101 C[C@H](O)C[C@@H]1C[C@@H](CC(=O)O1)O CNP0233374.1 [0,2,0,0,0,0|0,0,0]=2 387 B12R1.101 C[C@H](O)C[C@H]1C[C@@H](CC(=O)O1)O CNP0233374.3 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.1257 C[C@H](O)C[C@]1(CC=CC(=O)O1)C CNP0207861.1 [0,2,0,0,0,0|0,0,2]=4 389 B12R1.1123 CCCC1OC(=O)C(CC1C)C CNP0176824.0 [0,2,0,0,0,0|0,0,0]=2 390 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,0,1,1,0,0|2,0,0]=4 391 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,1,1,0,0|1,0,0]=3 392 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,0,1,1,0,0|2,0,0]=4 393 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,0,1,1,0,0|2,0,0]=4 394 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,0,1,1,0,0|1,0,0]=3 395 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,1,1,0,0|1,0,0]=3 396 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,1,1,0,0|2,0,0]=4 397 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,1,1,0,0|2,0,0]=4 398 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,1,1,0,0|0,0,0]=2 399 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,1,1,0,0|1,0,0]=3 400 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,1,1,0,0|1,0,0]=3 401 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,0,1,1,0,0|1,0,0]=3 402 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,0,1,1,0,0|1,0,0]=3 403 B10R1.25 O=C[C]1CCC(CC1O)O CNP0588610.0 [0,0,1,1,0,0|1,0,1]=4 404 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,0,1,1,0,0|2,0,0]=4 405 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,0,1,1,0,0|2,0,0]=4 406 B10R1.256 C[C@@H]1C(=O)O[C@@H]([C@H]1CO)C CNP0104665.1 [0,0,1,1,0,0|1,0,0]=3 407 B10R1.256 C[C@@H]1OC(=O)[C@@H]([C@H]1CO)C CNP0104665.2 [0,0,1,1,0,0|1,0,0]=3 408 B10R2.7 C1CC[C@H]2CCC[C@H]2C1 CNP0076465.1 [1,0,0,1,0,0|1,0,1]=4 409 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,1,1,0|1,0,1]=4 410 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,1,1,0|1,0,0]=3 411 B10R2.41 CN1[C@@H]2CCC[C@H]1CC2 CNP0085489.1 [0,0,0,1,1,0|2,0,0]=4 412 B10R2.201 [O-][N+]12CCCC1CCC2 CNP0572592.0 [0,0,0,1,1,0|1,0,1]=4 413 B12R2.229 O=C1CCCC[C@H]2[C@@H]1CCC2 CNP0201109.1 [0,0,0,1,0,1|1,0,0]=3 414 B12R2.1154 CN1C2CCC[C@@H]1CC(=O)C2 CNP0115646.3 [0,1,0,1,0,0|2,0,0]=4 415 B12R2.1154 CN1[C@@H]2CCC[C@@H]1CC(=O)C2 CNP0115646.2 [0,1,0,1,0,0|2,0,0]=4 416 B12R2.1154 CN1[C@@H]2CCC[C@H]1CC(=O)C2 CNP0115646.1 [0,1,0,1,0,0|2,0,0]=4 417 B12R2.1761 CC[C@@H]1O[C@@]2(CCCC1O2)C CNP0341607.1 [0,1,0,1,0,0|0,0,2]=4 418 B12R2.1761 CC[C@@H]1O[C@@]2(CCC[C@H]1O2)C CNP0341607.3 [0,1,0,1,0,0|0,0,2]=4 419 B12R2.1761 CC[C@H]1O[C@@]2(CCC[C@H]1O2)C CNP0341607.2 [0,1,0,1,0,0|0,0,2]=4 420 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,1,0,1,0,0|1,0,1]=4 421 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,1,0,1,0,0|0,0,0]=2 422 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,1,0,1,0,0|2,0,0]=4 423 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,1,0,1,0,0|2,0,0]=4 424 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,1,0,1,0,0|0,0,0]=2 425 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,1,0,1,0,0|0,0,0]=2 426 B12R2.203 C[C@@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.1 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.203 C[C@H]1CC[C@H]2[C@@H]1C(=O)OCC2 CNP0118821.2 [0,1,0,1,0,0|2,0,0]=4 428 B12R2.612 CC1=CC2COC(C2CC1)C CNP0002456.0 [0,1,0,1,0,0|2,0,0]=4 429 B12R2.612 CC1=C[C@@H]2OC[C@H]([C@@H]2CC1)C CNP0239881.2 [0,1,0,1,0,0|2,0,0]=4 430 B12R2.612 CC1=C[C@H]2OC[C@@H]([C@H]2CC1)C CNP0239881.1 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.612 CC1=C[C@H]2OC[C@H]([C@@H]2CC1)C CNP0239881.3 [0,1,0,1,0,0|2,0,0]=4 432 B12R2.612 C[C@@H]1CC[C@H]2[C@@H]1COC(=O)C2 CNP0210998.1 [0,1,0,1,0,0|2,0,0]=4 433 B12R2.5121 C[C@@H]1CCC[C@@]2(O1)CCCO2 CNP0276837.2 [0,1,0,1,0,0|1,0,1]=4 434 B12R2.5121 C[C@@H]1CCC[C@]2(O1)CCCO2 CNP0276837.1 [0,1,0,1,0,0|1,0,1]=4 435 B12R2.5121 C[C@H]1CCC[C@]2(O1)CCCO2 CNP0276837.3 [0,1,0,1,0,0|1,0,1]=4 436 B12R2.1153 C[C@@]12CCC[C@@H](N1)CC(=O)C2 CNP0248477.1 [0,1,0,1,0,0|2,0,0]=4 437 B12R2.1153 C[C@@]12CCC[C@H](N1)CC(=O)C2 CNP0248477.4 [0,1,0,1,0,0|2,0,0]=4 438 B12R2.1153 C[C@H]1C[C@H]2CCC[C@](O2)(O1)C CNP0404483.1 [0,1,0,1,0,0|0,0,2]=4 439 B12R2.1153 C[C@]12CCC[C@@H](N1)CC(=O)C2 CNP0248477.3 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.1153 C[C@]12CCC[C@H](N1)CC(=O)C2 CNP0248477.2 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.2899 C[C@@H]1C[C@H]2CC(=O)C[C@H](C2)O1 CNP0354996.1 [0,1,0,1,0,0|1,0,0]=3 442 B12R2.2899 C[C@H]1C[C@H]2C[C@@H](O1)CC(=O)O2 CNP0172956.1 [0,1,0,1,0,0|0,0,0]=2 443 B12R2.1172 O=C1CC[C@@]2(CCO[C@@H]2C1)O CNP0162464.2 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.1172 O=C1CC[C@@]2(CCO[C@H]2C1)O CNP0162464.3 [0,1,0,1,0,0|2,0,0]=4 445 B12R2.1172 O=C1CC[C@]2(CCO[C@H]2C1)O CNP0162464.1 [0,1,0,1,0,0|2,0,0]=4 446 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [0,0,1,0,1,0|1,0,1]=4 447 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,0,1,0,1,0|2,0,0]=4 448 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,0,1,0,1,0|0,0,2]=4 449 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,0,1,0,1,0|0,0,2]=4 450 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,0,1,0,1,0|1,0,1]=4 451 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,0,1,0,1,0|0,0,0]=2 452 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,0,1,0,1,0|0,0,2]=4 453 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,0,1,0,1,0|1,0,1]=4 454 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,0,1,0,1,0|0,0,0]=2 455 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,0,1,0,1,0|1,0,0]=3 456 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,0,1,0,1,0|1,0,1]=4 457 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,0,1,0,1,0|0,0,2]=4 458 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,0,1,0,1,0|1,0,1]=4 459 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,0,1,0,1,0|0,0,2]=4 460 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,0,1,0,1,0|2,0,0]=4 461 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,0,1,0|1,0,1]=4 462 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [1,0,0,0,1,0|0,0,2]=4 463 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,0,1,0|1,0,1]=4 464 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,0,0,0,1,0|0,0,2]=4 465 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,0,1,0|0,0,0]=2 466 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,0,1,0|0,0,0]=2 467 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,0,1,0|2,0,0]=4 468 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,0,1,0|2,0,0]=4 469 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,0,0,0,1,0|1,0,0]=3 470 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,0,1,0|2,0,0]=4 471 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [1,0,0,0,1,0|2,0,0]=4 472 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,0,0,0,1,0|1,0,0]=3 473 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,0,0,0,1,0|1,0,0]=3 474 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,0,0,0,1,0|1,0,0]=3 475 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,0,1,0|1,0,1]=4 476 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,0,0,0,1,0|0,0,2]=4 477 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,0,1,0|0,0,0]=2 478 B8R1.11 CCC1SCCC1=O CNP0185206.0 [1,0,0,0,1,0|1,0,0]=3 479 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,0,1,0|0,0,2]=4 480 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,0,1,0|1,0,1]=4 481 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,0,1,0|0,0,2]=4 482 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,0,1,0|1,0,0]=3 483 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [1,0,0,0,1,0|1,0,1]=4 484 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,0,1,0|0,0,1]=3 485 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,0,1,0|1,1,0]=4 486 B8R1.8 CCCC1NCCS1 CNP0002551.0 [1,0,0,0,1,0|1,1,0]=4 487 B8R1.8 CCCN1OCCO1 CNP0257167.0 [1,0,0,0,1,0|2,0,0]=4 488 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,0,0,0,1,0|2,0,0]=4