0 B9R0.2 C=CC=CCCC=C(C)C CNP0185816.0 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,0,0,0,0,0|0,0,2]=2 5 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,0,0,0,0,0|0,0,2]=2 10 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,0,0,0,0,0|0,0,4]=4 11 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,0,0,0,0|1,0,3]=4 12 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,0,0,0,0|0,0,2]=2 23 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.4 CC=CCCC=CCO CNP0076887.0 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|1,0,2]=4 27 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,0,0,0,0,0|0,0,0]=1 31 B8R0.4 CCCC=CCOC=O CNP0131807.0 [1,0,0,0,0,0|0,0,2]=3 32 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|0,0,2]=3 36 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|0,0,3]=4 37 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,0,0,0,0|1,0,2]=4 38 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,0,0,0,0,0|0,0,2]=3 39 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,0,0,0,0|1,0,0]=2 43 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,0,0,0,0|0,0,2]=3 45 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|0,0,0]=1 47 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,0,0,0,0|1,0,0]=2 49 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,0,0,0,0|1,0,2]=4 50 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|0,0,2]=3 53 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|1,0,2]=4 55 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|0,0,1]=2 57 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,0,0,0,0|1,0,1]=3 60 B10R0.3 CC(=CCCC(=CCO)C)C CNP0244258.0 [0,1,0,0,0,0|3,0,0]=4 61 B10R0.3 CC(=CCCC(=CCS)C)C CNP0346825.0 [0,1,0,0,0,0|3,0,0]=4 62 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,0,0,0,0|0,0,2]=3 64 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|2,0,0]=3 65 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|1,0,2]=4 66 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [0,1,0,0,0,0|2,0,0]=3 67 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,0,0,0,0|1,0,0]=2 68 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,1,0,0,0,0|0,0,0]=1 69 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,1,0,0,0,0|0,0,2]=3 70 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,1,0,0,0,0|0,0,3]=4 71 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|1,0,2]=4 72 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|1,0,2]=4 73 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|0,0,2]=3 74 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,0,0,0,0|0,0,2]=3 75 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,0|0,0,2]=3 76 B10R0.55 C=CC(=O)CCCOC(=O)C CNP0357217.0 [0,1,0,0,0,0|0,0,3]=4 77 B10R0.55 CC(=CCCC=C(C)CO)C CNP0180707.0 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.55 CC(=O)OCCCC(=O)CO CNP0357573.0 [0,1,0,0,0,0|1,0,1]=3 79 B10R0.55 CCC(=O)C=CCC=C(C)C CNP0093089.0 [0,1,0,0,0,0|2,0,1]=4 80 B10R0.55 CCC(=O)CCC=CC(=O)C CNP0534993.0 [0,1,0,0,0,0|1,0,2]=4 81 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,0,0,0,0|1,0,0]=2 83 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,1,0,0,0,0|0,0,0]=1 84 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,1,0,0,0,0|0,0,2]=3 86 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|1,0,2]=4 87 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,0,0,0,0|1,0,2]=4 88 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,0,0,0,0|1,0,2]=4 89 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|0,0,2]=3 90 B10R0.74 CSC=CCCN=C(S)SC CNP0609262.0 [0,1,0,0,0,0|2,1,0]=4 91 B10R0.74 CSC=CCCNC(=S)SC CNP0284474.0 [0,1,0,0,0,0|2,1,0]=4 92 B10R0.78 COCC=C(C)COC(=O)C CNP0326991.0 [0,1,0,0,0,0|1,0,2]=4 93 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,0,0,0,0|1,0,2]=4 94 B10R0.97 CC(=O)OCCCOC(=O)C CNP0501708.0 [0,1,0,0,0,0|1,0,2]=4 95 B10R1.10 CC=CC1=CC(=O)OCC1 CNP0430897.0 [0,0,0,1,0,0|0,0,2]=3 96 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,0,0,1,0,0|0,0,0]=1 97 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,0,0,1,0,0|2,0,1]=4 98 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,0,0,1,0,0|2,0,1]=4 99 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,1,0,0|0,0,2]=3 101 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,1,0,0|1,0,2]=4 102 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,0|0,0,2]=3 103 B10R1.18 CC(C)CC1CC=CCC1 CNP0084870.0 [0,0,0,1,0,0|2,0,1]=4 104 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,1,0,0|1,0,2]=4 105 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,0,0,1,0,0|1,0,1]=3 106 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,0,0,1,0,0|1,0,1]=3 107 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|1,0,2]=4 108 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|1,0,2]=4 109 B7R0.1 C=CCCCC=CC CNP0076717.0 [2,0,0,0,0,0|1,0,1]=4 110 B7R0.1 CC=CCC=CCO CNP0168622.0 [2,0,0,0,0,0|1,0,1]=4 111 B7R0.1 CC=CCCC=CC CNP0082120.0 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|1,0,1]=4 113 B7R0.1 CCC=CC=CC=O CNP0276667.0 [2,0,0,0,0,0|0,0,2]=4 114 B7R0.1 CCC=CCCC=O CNP0265888.0 [2,0,0,0,0,0|0,0,0]=2 115 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|0,0,1]=3 116 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|0,0,2]=4 117 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|0,0,2]=4 118 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,2]=4 120 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|0,0,1]=3 121 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|0,0,2]=4 122 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|1,0,1]=4 123 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [2,0,0,0,0,0|1,0,0]=3 124 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [2,0,0,0,0,0|1,0,1]=4 126 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.4 CC(=O)OCCCS CNP0325111.0 [2,0,0,0,0,0|1,0,0]=3 128 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|0,0,2]=4 129 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|0,0,2]=4 130 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|0,0,2]=4 131 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|1,0,0]=3 133 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,0]=2 134 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|0,0,2]=4 136 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,1]=3 137 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|0,0,0]=2 141 B7R0.4 CCCSOC(=O)C CNP0411356.0 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|1,0,0]=3 146 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,1,0,0,0,0|1,0,1]=4 147 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [1,1,0,0,0,0|0,0,2]=4 148 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|1,0,1]=4 149 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [1,1,0,0,0,0|1,0,1]=4 150 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [1,1,0,0,0,0|1,0,0]=3 151 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [1,1,0,0,0,0|1,0,0]=3 152 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,1,0,0,0,0|1,0,0]=3 153 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,1,0,0,0,0|1,0,1]=4 155 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,1,0,0,0,0|1,0,1]=4 156 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,1,0,0,0,0|1,0,1]=4 157 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,1,0,0,0,0|0,0,2]=4 158 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.1 C=C(CC)CCC=C(C)C CNP0507875.0 [1,1,0,0,0,0|2,0,0]=4 160 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [1,1,0,0,0,0|1,0,0]=3 161 B9R0.1 CC(=O)OCC=C(C)CO CNP0248303.0 [1,1,0,0,0,0|1,0,0]=3 162 B9R0.1 CC=C(C)CCC=C(C)C CNP0355870.0 [1,1,0,0,0,0|2,0,0]=4 163 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [1,1,0,0,0,0|1,0,1]=4 164 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,1,0,0,0,0|0,0,1]=3 166 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|1,0,1]=4 168 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|0,0,2]=4 169 B9R0.47 NC/C=C/C[C@H](N)C(=O)O CNP0332600.1 [1,1,0,0,0,0|2,0,0]=4 170 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|0,0,1]=3 171 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [1,1,0,0,0,0|0,0,1]=3 172 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,1,0,0,0,0|0,0,2]=4 173 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|1,0,0]=3 174 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [1,1,0,0,0,0|2,0,0]=4 177 B9R0.55 C=C(C)CCCC=C(C)C CNP0556185.0 [1,1,0,0,0,0|2,0,0]=4 178 B9R0.55 CC(=CCCC=C(C)C)C CNP0076355.0 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|0,0,2]=4 180 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.55 CC(=O)NCCNC(=O)C CNP0287260.0 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [1,1,0,0,0,0|0,0,0]=2 183 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [1,1,0,0,0,0|1,0,0]=3 184 B11R0.1 CCOC(=O)C[C@@H](C)NC(=O)C CNP0207369.1 [0,2,0,0,0,0|2,0,0]=4 185 B11R0.6 CC(=CCCC(=CC(C)O)C)C CNP0116095.0 [0,2,0,0,0,0|2,0,0]=4 186 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [0,2,0,0,0,0|0,0,2]=4 187 B11R0.6 CC(=O)OCCC(=CC(=O)N)C CNP0112349.0 [0,2,0,0,0,0|1,0,1]=4 188 B11R0.6 CC(=O)OCCC(=CC(=O)O)C CNP0373658.0 [0,2,0,0,0,0|1,0,1]=4 189 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C CNP0306070.1 [0,2,0,0,0,0|0,0,2]=4 190 B11R0.6 CC(=O)O[C@H](C)CCC=C(C)C CNP0306070.2 [0,2,0,0,0,0|0,0,2]=4 191 B11R0.45 CCCC(CCOC(=O)C)SC CNP0003227.0 [0,2,0,0,0,0|0,0,2]=4 192 B11R0.59 CCOC(=O)[C@@H](N)CSC(=O)C CNP0029965.1 [0,2,0,0,0,0|1,1,0]=4 193 B11R0.147 CC(=CCCC(=CCCO)C)C CNP0346393.0 [0,2,0,0,0,0|2,0,0]=4 194 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [0,2,0,0,0,0|0,0,2]=4 195 B11R0.147 COCC=C(C)CCC=C(C)C CNP0517198.0 [0,2,0,0,0,0|2,0,0]=4 196 B11R0.174 CC(=CCCC(=CCO)C)C=O CNP0183503.0 [0,2,0,0,0,0|2,0,0]=4 197 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [0,2,0,0,0,0|2,0,0]=4 198 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [0,2,0,0,0,0|2,0,0]=4 199 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,2,0,0,0,0|0,0,2]=4 200 B11R0.30 CC(C)C=CCCCCC(=O)N CNP0507586.0 [0,2,0,0,0,0|2,0,0]=4 201 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [0,2,0,0,0,0|2,0,0]=4 202 B11R0.40 CCC=CCC=CCC(=O)OC CNP0525214.0 [0,2,0,0,0,0|1,0,1]=4 203 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [0,2,0,0,0,0|1,0,0]=3 204 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,2,0,0,0,0|1,0,0]=3 205 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,2,0,0,0,0|0,0,2]=4 206 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [0,2,0,0,0,0|2,0,0]=4 207 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [0,2,0,0,0,0|2,0,0]=4 208 B11R0.42 CCC=CCCOC(=O)C(=O)C CNP0380462.0 [0,2,0,0,0,0|0,0,0]=2 209 B11R0.42 CCC=CCCOC(=O)C(C)C CNP0128799.0 [0,2,0,0,0,0|0,0,0]=2 210 B11R0.42 CCC=CCCOC(=O)C(C)O CNP0342153.0 [0,2,0,0,0,0|0,0,0]=2 211 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,2,0,0,0,0|0,0,2]=4 212 B11R0.148 C=CCCCC=CCOC(=O)C CNP0076931.0 [0,2,0,0,0,0|0,0,2]=4 213 B11R0.148 CCC=CC=CCCCC(=O)O CNP0544989.0 [0,2,0,0,0,0|2,0,0]=4 214 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [0,2,0,0,0,0|0,0,0]=2 215 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|2,0,0]=4 216 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,2,0,0,0,0|0,0,0]=2 217 B11R0.148 CCCC=CC=CCOC(=O)C CNP0312132.0 [0,2,0,0,0,0|0,0,1]=3 218 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|1,0,0]=3 219 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,2,0,0,0,0|2,0,0]=4 220 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,2,0,0,0,0|2,0,0]=4 221 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,2,0,0,0,0|0,0,0]=2 222 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,2,0,0,0,0|0,0,2]=4 223 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,2,0,0,0,0|0,0,2]=4 224 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,2,0,0,0,0|0,0,2]=4 225 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,2,0,0,0,0|0,0,2]=4 226 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,2,0,0,0,0|0,0,2]=4 227 B11R0.176 CC(=O)OCCCC(=O)CCO CNP0357221.0 [0,2,0,0,0,0|0,0,1]=3 228 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,2,0,0,0,0|0,1,1]=4 229 B11R0.77 C=C[C@@H](CCCCC)OC(=O)C CNP0392840.2 [0,2,0,0,0,0|0,0,2]=4 230 B11R0.77 C=C[C@H](CCCCC)OC(=O)C CNP0392840.1 [0,2,0,0,0,0|0,0,2]=4 231 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,2,0,0,0,0|0,0,2]=4 232 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,2,0,0,0,0|0,0,2]=4 233 B11R0.93 COC(=O)C[C@@H](O)COC(=O)C CNP0042929.1 [0,2,0,0,0,0|1,0,1]=4 234 B11R0.93 COC(=O)C[C@H](O)COC(=O)C CNP0042929.2 [0,2,0,0,0,0|1,0,1]=4 235 B11R0.4 C=CC=CCCOC(=O)CCC CNP0281096.0 [0,2,0,0,0,0|0,0,2]=4 236 B11R0.4 CC/C=C/CCO[C@@H](C)OCC CNP0204236.1 [0,2,0,0,0,0|0,0,2]=4 237 B11R0.4 CC/C=C\CCO[C@@H](C)OCC CNP0204236.2 [0,2,0,0,0,0|0,0,2]=4 238 B11R0.4 CC=CC(=O)OCCC=CCC CNP0265278.0 [0,2,0,0,0,0|0,0,0]=2 239 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,2,0,0,0,0|0,0,2]=4 240 B11R0.4 CC=CC=CCOC(=O)CCC CNP0328344.0 [0,2,0,0,0,0|0,0,2]=4 241 B11R0.4 CC=CCCCOC(=O)CCC CNP0508923.0 [0,2,0,0,0,0|0,0,2]=4 242 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,2,0,0,0,0|0,0,0]=2 243 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,2,0,0,0,0|0,0,2]=4 244 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,2,0,0,0,0|0,0,2]=4 245 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [0,2,0,0,0,0|0,0,2]=4 246 B11R0.85 CC(O)/C=C\[C@@H](C)CCC(=O)O CNP0072555.1 [0,2,0,0,0,0|2,0,0]=4 247 B11R0.164 CCCC[C@H](CC)COC(=O)C CNP0084871.1 [0,2,0,0,0,0|0,0,2]=4 248 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|0,0,2]=4 249 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,1,0,0|0,0,2]=4 250 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [1,0,0,1,0,0|1,0,1]=4 251 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|0,0,2]=4 252 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [1,0,0,1,0,0|2,0,0]=4 254 B9R1.6 CC(C)C1CC=CCC1 CNP0550039.0 [1,0,0,1,0,0|1,0,1]=4 255 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [1,0,0,1,0,0|1,0,0]=3 258 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [1,0,0,1,0,0|0,0,2]=4 259 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,1,0,0|1,0,0]=3 263 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [1,0,0,1,0,0|1,0,1]=4 264 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [1,0,0,1,0,0|1,0,0]=3 265 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|0,0,2]=4 267 B11R1.15 O=C1C[C@@H](CO1)C(=O)CCO CNP0159390.1 [0,1,0,1,0,0|1,0,1]=4 268 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [0,1,0,1,0,0|0,0,2]=4 269 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [0,1,0,1,0,0|0,0,2]=4 270 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [0,1,0,1,0,0|0,0,2]=4 271 B11R1.166 CC(=O)[C@@H]1CCC(=C[C@H]1C)C CNP0099950.1 [0,1,0,1,0,0|1,0,0]=3 272 B11R1.1251 C/C=C/[C@@]1(CCOC(=O)C1)O CNP0458974.2 [0,1,0,1,0,0|0,0,2]=4 273 B11R1.1251 C/C=C/[C@]1(CCOC(=O)C1)O CNP0458974.1 [0,1,0,1,0,0|0,0,2]=4 274 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [0,1,0,1,0,0|0,0,1]=3 275 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,1,0,1,0,0|0,0,0]=2 276 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [0,1,0,1,0,0|0,0,1]=3 277 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|0,0,2]=4 278 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|0,0,2]=4 279 B11R1.86 CC(=O)O[C@@H]1CCCC=C1C CNP0153572.1 [0,1,0,1,0,0|0,0,2]=4 280 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,1,0,1,0,0|0,0,2]=4 281 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,1,0,1,0,0|2,0,0]=4 283 B11R1.43 CCC1=CC=C(O1)OC(=O)C CNP0609792.0 [0,1,0,1,0,0|0,0,2]=4 284 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [0,1,0,1,0,0|0,0,2]=4 285 B11R1.20 CC(=O)NC1CCC(=O)CC1 CNP0508651.0 [0,1,0,1,0,0|1,0,1]=4 286 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,1,0,1,0,0|0,0,2]=4 287 B11R1.23 COC(=O)C1=CC(=O)OCC1 CNP0435092.0 [0,1,0,1,0,0|1,0,1]=4 288 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [0,1,0,1,0,0|1,0,1]=4 289 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,1,0,1,0,0|0,0,2]=4 290 B11R1.25 CCC(=O)OC[C@@H]1CCCO1 CNP0217025.1 [0,1,0,1,0,0|1,0,1]=4 291 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,1,0,1,0,0|0,0,2]=4 292 B11R1.36 N[C@H](C(=O)O)[C@@H]1CC=CCC1 CNP0213115.1 [0,1,0,1,0,0|2,0,0]=4 293 B11R1.36 O=C(O)C(=O)[C@H]1CC=CCC1 CNP0297531.1 [0,1,0,1,0,0|2,0,0]=4 294 B11R1.36 O=C(O)C(O)[C@H]1CC=CCC1 CNP0339850.1 [0,1,0,1,0,0|2,0,0]=4 295 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,2,0,0|1,0,1]=4 296 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|0,0,2]=4