0 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,0,0,0,0,0|0,0,4]=4 3 B12R0.234 CC=CCCCCC=CCC(=O)O CNP0101195.0 [0,0,0,0,0,0|0,0,4]=4 4 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,0,0,0,0,0|1,0,2]=3 5 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,0,0,0,0,0|0,0,0]=0 6 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,0,0,0,0,0|0,0,2]=2 8 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [0,0,0,0,0,0|0,0,4]=4 9 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [0,0,0,0,0,0|1,0,3]=4 10 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,0,0,0,0,0|2,0,1]=3 11 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,0,0,0,0,0|1,0,0]=1 12 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.3 C=CC#CCCCCCCCC CNP0570139.0 [1,0,0,0,0,0|1,0,2]=4 15 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [1,0,0,0,0,0|1,0,2]=4 16 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [1,0,0,0,0,0|0,0,2]=3 17 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [1,0,0,0,0,0|1,0,2]=4 18 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,0,0,0,0,0|1,0,1]=3 20 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,0,0,0,0,0|1,0,1]=3 22 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [1,0,0,0,0,0|0,0,2]=3 23 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [1,0,0,0,0,0|0,0,2]=3 24 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [1,0,0,0,0,0|0,0,0]=1 25 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [1,0,0,0,0,0|0,0,1]=2 26 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [1,0,0,0,0,0|1,0,1]=3 27 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [1,0,0,0,0,0|0,0,2]=3 28 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [1,0,0,0,0,0|0,0,3]=4 29 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [1,0,0,0,0,0|1,0,2]=4 30 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [1,0,0,0,0,0|2,0,1]=4 31 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [1,0,0,0,0,0|0,0,3]=4 32 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [1,0,0,0,0,0|0,0,3]=4 33 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [1,0,0,0,0,0|0,0,3]=4 34 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [1,0,0,0,0,0|0,0,3]=4 35 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [1,0,0,0,0,0|0,0,3]=4 36 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [1,0,0,0,0,0|0,0,3]=4 37 B11R0.148 CCCCCC=CC=CC(=O)N CNP0278760.0 [1,0,0,0,0,0|1,0,2]=4 38 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [1,0,0,0,0,0|0,0,2]=3 39 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [1,0,0,0,0,0|0,0,3]=4 40 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [1,0,0,0,0,0|0,0,2]=3 41 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [1,0,0,0,0,0|2,0,1]=4 42 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [1,0,0,0,0,0|1,0,0]=2 43 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [1,0,0,0,0,0|1,0,0]=2 44 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [1,0,0,0,0,0|0,0,0]=1 45 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [1,0,0,0,0,0|2,0,0]=3 46 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [1,0,0,0,0,0|1,0,1]=3 47 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [1,0,0,0,0,0|1,0,1]=3 48 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [1,0,0,0,0,0|1,0,1]=3 49 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [1,0,0,0,0,0|0,0,1]=2 50 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [1,0,0,0,0,0|0,1,1]=3 51 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [1,0,0,0,0,0|0,0,2]=3 52 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [1,0,0,0,0,0|0,0,2]=3 53 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [1,0,0,0,0,0|0,0,2]=3 54 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [1,0,0,0,0,0|0,0,2]=3 55 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [1,0,0,0,0,0|0,0,2]=3 56 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [1,0,0,0,0,0|1,0,2]=4 57 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [1,0,0,0,0,0|1,0,2]=4 58 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [1,0,0,0,0,0|2,0,0]=3 59 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [1,0,0,0,0,0|2,0,0]=3 60 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [1,0,0,0,0,0|2,0,0]=3 61 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [1,0,0,0,0,0|3,0,0]=4 62 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [1,0,0,0,0,0|1,0,1]=3 63 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [1,0,0,0,0,0|3,0,0]=4 64 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [1,0,0,0,0,0|1,0,1]=3 65 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [1,0,0,0,0,0|1,0,2]=4 66 B13R0.1 CCCCCCC(O)CCOC(=O)C CNP0003220.0 [0,1,0,0,0,0|2,0,1]=4 67 B13R0.1 CCCCCC[C@@H](O)C/C=C/C(=O)O CNP0159289.2 [0,1,0,0,0,0|0,0,0]=1 68 B13R0.1 CCCCCC[C@H](O)C/C=C/C(=O)O CNP0159289.1 [0,1,0,0,0,0|0,0,0]=1 69 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [0,1,0,0,0,0|0,0,2]=3 70 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,1,0,0,0,0|0,0,3]=4 71 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,1,0,0,0,0|0,0,3]=4 72 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,1,0,0,0,0|0,0,3]=4 73 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,1,0,0,0,0|0,0,3]=4 74 B13R0.54 CCCCCC=CC=CC=CC(=O)O CNP0003430.0 [0,1,0,0,0,0|0,0,3]=4 75 B13R0.54 CCCCCC=CCCC=CC(=O)O CNP0290016.0 [0,1,0,0,0,0|0,0,1]=2 76 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,1,0,0,0,0|0,0,3]=4 77 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,1,0,0,0,0|0,0,3]=4 78 B13R0.54 CCCCCCCC=CC=CC(=O)N CNP0402877.0 [0,1,0,0,0,0|1,0,1]=3 79 B13R0.54 CCCCCCCC=CC=CC(=O)O CNP0115107.0 [0,1,0,0,0,0|0,0,1]=2 80 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,1,0,0,0,0|0,0,2]=3 81 B13R0.54 CCCCCCCC=CCOC(=O)C CNP0123694.0 [0,1,0,0,0,0|1,0,2]=4 82 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,1,0,0,0,0|0,0,0]=1 83 B13R0.54 CCCCCCCCC=COC(=O)C CNP0501330.0 [0,1,0,0,0,0|1,0,0]=2 84 B13R0.54 CCCCCCCCC=NNC(=O)N CNP0224908.0 [0,1,0,0,0,0|2,0,0]=3 85 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,1,0,0,0,0|1,0,0]=2 86 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,1,0,0,0,0|0,0,0]=1 87 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [0,1,0,0,0,0|1,0,2]=4 88 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [0,1,0,0,0,0|1,0,2]=4 89 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,1,0,0,0,0|0,0,2]=3 90 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [0,1,0,0,0,0|0,0,3]=4 91 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [0,1,0,0,0,0|0,0,3]=4 92 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [0,1,0,0,0,0|0,0,3]=4 93 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [0,1,0,0,0,0|0,0,3]=4 94 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [0,1,0,0,0,0|0,0,3]=4 95 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [0,1,0,0,0,0|1,0,2]=4 96 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [0,1,0,0,0,0|0,1,2]=4 97 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,1,0,0,0,0|0,0,2]=3 98 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,1,0,0,0,0|0,0,2]=3 99 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,1,0,0,0,0|0,0,2]=3 100 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,1,0,0,0,0|0,0,3]=4 101 B13R0.147 CCCCCCC=CC=CC(=O)OC CNP0612143.0 [0,1,0,0,0,0|0,0,2]=3 102 B13R0.147 CCCCCCCC=CCC(=O)CC CNP0527148.0 [0,1,0,0,0,0|1,0,2]=4 103 B13R0.147 CCCCCCCCC#CC(=O)OC CNP0140131.0 [0,1,0,0,0,0|0,0,2]=3 104 B13R0.147 CCCCCCCCC=CC(=O)OC CNP0122148.0 [0,1,0,0,0,0|0,0,0]=1 105 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [0,1,0,0,0,0|1,0,1]=3 106 B13R0.147 CCCCCCCCCC=C(Cl)CO CNP0255372.0 [0,1,0,0,0,0|1,0,1]=3 107 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [0,1,0,0,0,0|1,0,2]=4 108 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,1,0,0,0,0|0,0,2]=3 109 B13R0.147 CCCCCCCCCOC(=O)CC CNP0113142.0 [0,1,0,0,0,0|2,0,1]=4 110 B13R0.147 COC(=O)C=CCCCCCCCO CNP0218428.0 [0,1,0,0,0,0|1,0,0]=2 111 B13R0.150 CCCCCCCCCC(C)C(=O)C CNP0524122.0 [0,1,0,0,0,0|1,0,2]=4 112 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [0,1,0,0,0,0|0,0,2]=3 113 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [0,1,0,0,0,0|0,0,2]=3 114 B13R0.150 CSCCCCCCCC(=O)C(=O)O CNP0352754.0 [0,1,0,0,0,0|1,0,1]=3 115 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [0,1,0,0,0,0|1,0,2]=4 116 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [0,1,0,0,0,0|0,0,3]=4 117 B13R0.154 CCCCCCCC(=O)NCC(=O)O CNP0052738.0 [0,1,0,0,0,0|1,0,2]=4 118 B13R0.154 CCCCCCNC(=O)C=CC(=O)O CNP0605943.0 [0,1,0,0,0,0|1,0,1]=3 119 B13R0.154 O=C(O)/C=C/[C@H](O)CCCCCCO CNP0251669.1 [0,1,0,0,0,0|1,0,0]=2 120 B13R0.154 O=C(O)C=C[C@H](O)CCCCCCO CNP0251669.2 [0,1,0,0,0,0|1,0,0]=2 121 B13R0.179 CC(=O)CCCCCCCCC(C)C CNP0219481.0 [0,1,0,0,0,0|1,0,2]=4 122 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [0,1,0,0,0,0|0,0,2]=3 123 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [0,1,0,0,0,0|0,0,2]=3 124 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [0,1,0,0,0,0|0,0,2]=3 125 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [0,1,0,0,0,0|1,0,2]=4 126 B13R0.179 O=C(O)C=CCCCCCCC(=O)O CNP0260900.0 [0,1,0,0,0,0|1,0,1]=3 127 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [0,1,0,0,0,0|0,0,3]=4 128 B13R0.202 CC(=O)C=CCCCOCC(O)CO CNP0495816.0 [0,1,0,0,0,0|3,0,0]=4 129 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [0,1,0,0,0,0|0,0,2]=3 130 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [0,1,0,0,0,0|0,0,2]=3 131 B13R0.202 O=C(O)C=CC=CCCCC(O)CO CNP0434563.0 [0,1,0,0,0,0|1,0,2]=4 132 B13R0.280 CCCCCCCCCCS(=O)(=O)O CNP0529919.0 [0,1,0,0,0,0|1,0,2]=4 133 B13R0.280 CCCCCCCCCNS(=O)(=O)O CNP0476345.0 [0,1,0,0,0,0|2,0,1]=4 134 B13R0.280 CCCCCCCCCOS(=O)(=O)O CNP0359482.0 [0,1,0,0,0,0|2,0,1]=4 135 B13R0.335 CC(=O)OC(=O)CCCCCCCO CNP0220022.0 [0,1,0,0,0,0|3,0,0]=4 136 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [0,1,0,0,0,0|0,0,2]=3 137 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [0,1,0,0,0,0|1,0,2]=4 138 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [0,1,0,0,0,0|1,0,2]=4 139 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,0,0,1,0,0|0,0,2]=3 140 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,0,0,1,0,0|1,0,1]=3 141 B13R1.6 O=C1C=CC=C(O1)CCCCCO CNP0323303.0 [0,0,0,1,0,0|1,0,2]=4 142 B13R1.27 CCCCCCCC1C=CC(=O)O1 CNP0546311.0 [0,0,0,1,0,0|0,0,0]=1 143 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,0,0,1,0,0|0,0,2]=3 144 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,0,0,1,0,0|0,0,2]=3 145 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [0,0,0,1,0,0|1,0,2]=4 146 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,0,0,1,0,0|0,0,2]=3 147 B13R1.337 NC(=O)C=CC=CC1CCCCC1 CNP0475242.0 [0,0,0,1,0,0|1,0,2]=4 148 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [0,0,0,1,0,0|0,0,2]=3 149 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [0,0,0,1,0,0|1,0,2]=4 150 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [0,0,0,1,0,0|0,0,2]=3 151 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [0,0,0,1,0,0|0,0,2]=3 152 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [0,0,0,1,0,0|0,0,2]=3 153 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [0,0,0,1,0,0|0,0,2]=3 154 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [0,0,0,1,0,0|0,0,2]=3 155 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [0,0,0,1,0,0|0,0,2]=3 156 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [2,0,0,0,0,0|0,0,2]=4 157 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [2,0,0,0,0,0|0,0,1]=3 158 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [2,0,0,0,0,0|1,0,1]=4 159 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [2,0,0,0,0,0|0,0,1]=3 160 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [2,0,0,0,0,0|1,0,1]=4 161 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [2,0,0,0,0,0|0,0,2]=4 162 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [2,0,0,0,0,0|0,0,0]=2 163 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [2,0,0,0,0,0|0,0,1]=3 164 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [2,0,0,0,0,0|1,0,0]=3 165 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [2,0,0,0,0,0|0,0,1]=3 166 B10R0.71 CCCCCCCCCCO CNP0305576.0 [2,0,0,0,0,0|0,0,2]=4 167 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [2,0,0,0,0,0|1,0,0]=3 168 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [2,0,0,0,0,0|2,0,0]=4 169 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [2,0,0,0,0,0|0,0,2]=4 170 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [2,0,0,0,0,0|0,0,2]=4 171 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [2,0,0,0,0,0|2,0,0]=4 172 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [2,0,0,0,0,0|0,0,2]=4 173 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [2,0,0,0,0,0|0,0,2]=4 174 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [2,0,0,0,0,0|0,0,2]=4 175 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [2,0,0,0,0,0|0,0,2]=4 176 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [2,0,0,0,0,0|0,0,2]=4 177 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [2,0,0,0,0,0|1,0,0]=3 178 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [2,0,0,0,0,0|1,0,0]=3 179 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [2,0,0,0,0,0|1,0,0]=3 180 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [2,0,0,0,0,0|0,0,0]=2 181 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [2,0,0,0,0,0|1,0,1]=4 182 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [2,0,0,0,0,0|1,0,0]=3 183 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [2,0,0,0,0,0|1,0,0]=3 184 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [2,0,0,0,0,0|1,0,0]=3 185 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [2,0,0,0,0,0|0,0,0]=2 186 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [2,0,0,0,0,0|1,0,1]=4 187 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [2,0,0,0,0,0|1,0,1]=4 188 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [2,0,0,0,0,0|2,0,0]=4 189 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [2,0,0,0,0,0|1,0,0]=3 190 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [2,0,0,0,0,0|2,0,0]=4 191 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [2,0,0,0,0,0|2,0,0]=4 192 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [2,0,0,0,0,0|1,0,0]=3 193 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [2,0,0,0,0,0|1,0,0]=3 194 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [1,1,0,0,0,0|1,0,0]=3 195 B12R0.1 CCCCCCCCC(C)OC=O CNP0539343.0 [1,1,0,0,0,0|1,0,1]=4 196 B12R0.5 C#CC=CCCCCCCCCC CNP0168870.0 [1,1,0,0,0,0|1,0,1]=4 197 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [1,1,0,0,0,0|1,0,0]=3 198 B12R0.5 C=CC=CCCCCCCCCO CNP0306719.0 [1,1,0,0,0,0|1,0,0]=3 199 B12R0.5 CC=CC=CCCCCCCCO CNP0203441.0 [1,1,0,0,0,0|1,0,1]=4 200 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [1,1,0,0,0,0|1,0,1]=4 201 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [1,1,0,0,0,0|1,0,1]=4 202 B12R0.5 CCC=CCCCCCCCCC CNP0534908.0 [1,1,0,0,0,0|1,0,1]=4 203 B12R0.5 CCC=CCCCCCCCCO CNP0133783.0 [1,1,0,0,0,0|1,0,1]=4 204 B12R0.5 CCCCCC=CCCC=CC=O CNP0168017.0 [1,1,0,0,0,0|0,0,1]=3 205 B12R0.5 CCCCCCC=CC=CC=CO CNP0355741.0 [1,1,0,0,0,0|0,0,2]=4 206 B12R0.5 CCCCCCCC=CC=CC=O CNP0081684.0 [1,1,0,0,0,0|0,0,1]=3 207 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [1,1,0,0,0,0|0,0,1]=3 208 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [1,1,0,0,0,0|0,0,0]=2 209 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [1,1,0,0,0,0|0,0,1]=3 210 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [1,1,0,0,0,0|0,0,1]=3 211 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [1,1,0,0,0,0|0,0,2]=4 212 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [1,1,0,0,0,0|0,0,2]=4 213 B12R0.5 CSCCCCCCCCC=NO CNP0085412.0 [1,1,0,0,0,0|1,0,1]=4 214 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [1,1,0,0,0,0|1,0,1]=4 215 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [1,1,0,0,0,0|2,0,0]=4 216 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [1,1,0,0,0,0|1,0,1]=4 217 B12R0.248 CCCCCCCCC[C@@H](C)C=O CNP0086491.2 [1,1,0,0,0,0|0,0,2]=4 218 B12R0.248 CCCCCCCCC[C@H](C)C=O CNP0086491.1 [1,1,0,0,0,0|0,0,2]=4 219 B12R0.4 CCCCCC=CC(=CC(=O)O)C CNP0489537.0 [1,1,0,0,0,0|0,0,2]=4 220 B12R0.4 CCCCCCC=C(C)CC(=O)O CNP0186143.0 [1,1,0,0,0,0|0,0,2]=4 221 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [1,1,0,0,0,0|0,0,1]=3 222 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [1,1,0,0,0,0|2,0,0]=4 223 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [1,1,0,0,0,0|0,0,1]=3 224 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [1,1,0,0,0,0|2,0,0]=4 225 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [1,1,0,0,0,0|0,0,1]=3 226 B12R0.95 CCCC[C@@H](O)/C=C/C=C/C(=O)O CNP0078690.2 [1,1,0,0,0,0|0,0,2]=4 227 B12R0.95 CCCC[C@H](O)/C=C/C=C/C(=O)O CNP0078690.1 [1,1,0,0,0,0|0,0,2]=4 228 B12R0.95 CCCC[C@H](O)CCCCC(=O)O CNP0272139.1 [1,1,0,0,0,0|0,0,1]=3 229 B12R0.119 CCCCCCCCNS(=O)(=O)O CNP0459977.0 [1,1,0,0,0,0|2,0,0]=4 230 B12R0.119 CCCCCCCCOP(=O)(O)O CNP0155776.0 [1,1,0,0,0,0|2,0,0]=4 231 B12R0.119 CCCCCCCCOS(=O)(=O)O CNP0146110.0 [1,1,0,0,0,0|2,0,0]=4 232 B12R0.184 CC[C@H](C)CCCCCCC(=O)O CNP0206079.1 [1,1,0,0,0,0|0,0,1]=3 233 B12R0.233 C=C(CCCCC)CCCC(=O)O CNP0458205.0 [1,1,0,0,0,0|0,0,2]=4 234 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [1,1,0,0,0,0|0,0,2]=4 235 B12R0.233 CCCCC[C@H](O)CCCC(=O)O CNP0114225.1 [1,1,0,0,0,0|0,0,1]=3 236 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [1,1,0,0,0,0|1,0,0]=3 237 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [1,1,0,0,0,0|0,0,0]=2 238 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [1,1,0,0,0,0|1,0,1]=4 239 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O CNP0216159.2 [1,1,0,0,0,0|0,0,1]=3 240 B12R0.251 CCCCCCCC[C@@H](O)C(=O)O CNP0143340.1 [1,1,0,0,0,0|0,0,1]=3 241 B12R0.251 CCCCCCCC[C@H](C)C(=O)O CNP0216159.1 [1,1,0,0,0,0|0,0,1]=3 242 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [1,1,0,0,0,0|1,0,0]=3 243 B12R0.251 CSCCCCCC[C@@H](N)C(=O)O CNP0384442.1 [1,1,0,0,0,0|1,0,1]=4 244 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [1,1,0,0,0,0|0,0,2]=4 245 B12R0.255 CCCCCCC(C)CC=C(C)C CNP0591018.0 [1,1,0,0,0,0|2,0,0]=4 246 B12R0.255 O=C(O)/C=C/[C@H](O)CCCCCO CNP0219480.1 [1,1,0,0,0,0|1,0,0]=3 247 B12R0.268 CC(=O)CCCCCC=CC(=O)O CNP0240565.0 [1,1,0,0,0,0|0,0,1]=3 248 B12R0.268 CC(=O)CCCCCCCC(C)C CNP0566315.0 [1,1,0,0,0,0|1,0,1]=4 249 B12R0.268 CC(C)CCCCCCCC(=O)O CNP0109886.0 [1,1,0,0,0,0|0,0,1]=3 250 B12R0.268 C[C@@H](O)CCC/C=C/C=C/C(=O)O CNP0351979.1 [1,1,0,0,0,0|0,0,2]=4 251 B12R0.268 C[C@@H](O)CCC/C=C/C=C\C(=O)O CNP0351979.2 [1,1,0,0,0,0|0,0,2]=4 252 B12R0.268 C[C@@H](O)CCCCCCCC(=O)O CNP0241170.1 [1,1,0,0,0,0|0,0,1]=3 253 B12R0.268 C[C@H](O)CCCCC/C=C/C(=O)O CNP0140668.1 [1,1,0,0,0,0|0,0,0]=2 254 B12R0.268 O=C(O)C=CCCCCCC(=O)O CNP0140769.0 [1,1,0,0,0,0|1,0,1]=4 255 B12R0.277 CCCC(Cl)CCCCOC(=O)C CNP0522583.0 [1,1,0,0,0,0|2,0,0]=4 256 B12R0.277 CCC[C@@H](C)CCCCCC(=O)O CNP0194627.1 [1,1,0,0,0,0|0,0,1]=3 257 B12R0.277 CCC[C@@H](N)CCCCCC(=O)O CNP0362333.2 [1,1,0,0,0,0|0,0,1]=3 258 B12R0.277 CCC[C@H](C)CCCCCC(=O)O CNP0194627.2 [1,1,0,0,0,0|0,0,1]=3 259 B12R0.277 CCC[C@H](N)CCCCCC(=O)O CNP0362333.1 [1,1,0,0,0,0|0,0,1]=3 260 B12R0.277 CCC[C@H](O)CCCCCC(=O)O CNP0317739.1 [1,1,0,0,0,0|0,0,1]=3 261 B14R0.2 CCCCCCCC(=O)CCCC(=O)O CNP0193723.0 [0,2,0,0,0,0|0,0,2]=4 262 B14R0.2 CCCCCCCC(O)CCCC(=O)O CNP0411141.0 [0,2,0,0,0,0|0,0,2]=4 263 B14R0.68 CC(=O)CCCCCCCCCC(=O)O CNP0305653.0 [0,2,0,0,0,0|0,0,2]=4 264 B14R0.68 CC(C)CCCCC=CCC=CC(=O)O CNP0293065.0 [0,2,0,0,0,0|0,0,1]=3 265 B14R0.68 CC(C)CCCCCCCC=CC(=O)O CNP0304027.0 [0,2,0,0,0,0|0,0,0]=2 266 B14R0.68 CC(C)CCCCCCCCCC(=O)O CNP0314744.0 [0,2,0,0,0,0|0,0,2]=4 267 B14R0.68 C[C@H](O)CCCCCCCCCC(=O)O CNP0271260.1 [0,2,0,0,0,0|0,0,2]=4 268 B14R0.68 O=C(O)C=CCCCCCCCC(=O)O CNP0326959.0 [0,2,0,0,0,0|0,0,1]=3 269 B14R0.153 CCCC[C@H](O)CCCCCCC(=O)O CNP0106337.1 [0,2,0,0,0,0|0,0,2]=4 270 B14R0.231 CCCCC[C@H](O)CCCCCC(=O)O CNP0102854.1 [0,2,0,0,0,0|0,0,2]=4 271 B14R0.305 CC[C@@H](C)CCCCCCCCC(=O)O CNP0277749.2 [0,2,0,0,0,0|0,0,2]=4 272 B14R0.305 CC[C@H](C)CCCCCCCCC(=O)O CNP0277749.1 [0,2,0,0,0,0|0,0,2]=4 273 B14R0.305 CC[C@H](O)CCCCCCCCC(=O)O CNP0298538.1 [0,2,0,0,0,0|0,0,2]=4 274 B14R0.305 COC(=O)CCCCCCC=CC(=O)O CNP0286631.0 [0,2,0,0,0,0|0,0,1]=3 275 B14R0.305 COC(=O)CCCCCCCCC(C)C CNP0030557.0 [0,2,0,0,0,0|0,0,2]=4 276 B14R0.337 CCCCCC=CCC=CCC(=O)OC CNP0538053.0 [0,2,0,0,0,0|0,0,2]=4 277 B14R0.337 CCCCCC=CCCC=CC(=O)OC CNP0326443.0 [0,2,0,0,0,0|0,0,1]=3 278 B14R0.337 CCCCCCCC/C=C/C[C@@H](O)CN CNP0285936.2 [0,2,0,0,0,0|1,0,1]=4 279 B14R0.337 CCCCCCCC/C=C/C[C@H](O)CN CNP0285936.1 [0,2,0,0,0,0|1,0,1]=4 280 B14R0.337 CCCCCCCC=CC=CC(=O)OC CNP0296655.0 [0,2,0,0,0,0|0,0,1]=3 281 B14R0.337 CCCCCCCCC/C=C/[C@@H](O)CN CNP0246081.1 [0,2,0,0,0,0|1,0,1]=4 282 B14R0.337 CCCCCCCCC=CCC(O)CC CNP0480605.0 [0,2,0,0,0,0|1,0,1]=4 283 B14R0.337 CCCCCCCCCC=CC(=O)OC CNP0281832.0 [0,2,0,0,0,0|0,0,0]=2 284 B14R0.337 CCCCCCCCCCCC(=O)CO CNP0162178.0 [0,2,0,0,0,0|0,0,2]=4 285 B14R0.337 CCCCCCCCCCCC(=O)OC CNP0307835.0 [0,2,0,0,0,0|0,0,2]=4 286 B14R0.340 CCCCCCCCCC[C@@H](C)C(=O)O CNP0172373.1 [0,2,0,0,0,0|0,0,2]=4 287 B14R0.340 CCCCCCCCCC[C@@H](O)C(=O)O CNP0195070.1 [0,2,0,0,0,0|0,0,2]=4 288 B14R0.340 CCCCCCCCCC[C@H](O)C(=O)O CNP0195070.2 [0,2,0,0,0,0|0,0,2]=4 289 B14R0.340 CSCCCCCCCCC(=O)C(=O)O CNP0295831.0 [0,2,0,0,0,0|0,0,1]=3 290 B14R0.340 CSCCCCCCCC[C@H](N)C(=O)O CNP0359900.1 [0,2,0,0,0,0|0,0,2]=4 291 B14R0.344 CCCCCCCCC(=O)NCC(=O)O CNP0001598.0 [0,2,0,0,0,0|0,0,1]=3 292 B14R0.344 CCCCCCCCC(C)CCC(=O)O CNP0598565.0 [0,2,0,0,0,0|0,0,2]=4 293 B14R0.344 CCCCCCCC[C@@H](O)C#CC(=O)O CNP0458691.1 [0,2,0,0,0,0|0,0,2]=4 294 B14R0.344 CCCCCCCC[C@@H](O)CCC(=O)O CNP0550827.1 [0,2,0,0,0,0|0,0,2]=4 295 B14R0.344 CCCCCCCC[C@H](O)C#CC(=O)O CNP0458691.2 [0,2,0,0,0,0|0,0,2]=4 296 B14R0.344 CCCCCCCC[C@H](O)CCC(=O)O CNP0550827.2 [0,2,0,0,0,0|0,0,2]=4 297 B14R0.344 O=C(O)COC(=O)CCCCCCCO CNP0473972.0 [0,2,0,0,0,0|1,0,1]=4 298 B14R0.391 CCCCCCCCCC(=O)C=C(C)C CNP0232845.0 [0,2,0,0,0,0|2,0,0]=4 299 B14R0.391 CCCCCCCCCC(=O)CC(=O)O CNP0069141.0 [0,2,0,0,0,0|0,0,1]=3 300 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O CNP0220266.1 [0,2,0,0,0,0|0,0,2]=4 301 B14R0.391 CCCCCCCCC[C@H](O)CC(=O)O CNP0220266.2 [0,2,0,0,0,0|0,0,2]=4 302 B14R0.391 CCCCCCCCOC(=O)C=C(I)I CNP0262240.0 [0,2,0,0,0,0|2,0,0]=4 303 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [0,2,0,0,0,0|0,0,2]=4 304 B14R0.394 CCCCCCCC=CC=CCC(=O)O CNP0547274.0 [0,2,0,0,0,0|0,0,1]=3 305 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [0,2,0,0,0,0|0,0,0]=2 306 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [0,2,0,0,0,0|0,0,2]=4 307 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [0,2,0,0,0,0|0,0,2]=4 308 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [0,2,0,0,0,0|0,0,2]=4 309 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [0,2,0,0,0,0|0,0,2]=4 310 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [0,2,0,0,0,0|0,0,2]=4 311 B14R0.432 CCCC(C)CCCCCCCC(=O)O CNP0278697.0 [0,2,0,0,0,0|0,0,2]=4 312 B14R0.432 CCC[C@H](O)CCCCCCCC(=O)O CNP0325800.1 [0,2,0,0,0,0|0,0,2]=4 313 B14R0.2224 CCCCCC[C@H](O)CCCCC(=O)O CNP0295458.1 [0,2,0,0,0,0|0,0,2]=4 314 B14R0.427 O=C(O)C=C(O)CCCCCCC(=O)O CNP0183398.0 [0,2,0,0,0,0|1,0,1]=4 315 B14R0.82 CCCCCCCC[C@H](C)CC(=O)OC CNP0107547.1 [0,2,0,0,0,0|0,0,2]=4 316 B14R0.197 CC[C@@H](C)CCCCCCCC(=O)OC CNP0042483.1 [0,2,0,0,0,0|0,0,2]=4 317 B14R0.197 CC[C@H](C)CCCCCCCC(=O)OC CNP0042483.2 [0,2,0,0,0,0|0,0,2]=4 318 B14R0.393 CCCCCCCCCCC(=O)OCC CNP0025805.0 [0,2,0,0,0,0|0,0,2]=4 319 B14R0.178 CCCCCCCC[C@H](O)[C@@H](C)C(=O)O CNP0180398.1 [0,2,0,0,0,0|0,0,2]=4 320 B14R0.229 CCCCC[C@H](C)CCC[C@@H](C)C(=O)O CNP0176874.1 [0,2,0,0,0,0|0,0,2]=4 321 B14R0.488 CCCCCCCCCC(CC)C(=O)O CNP0565270.0 [0,2,0,0,0,0|0,0,2]=4 322 B12R1.37 CCCCCCCC1=CC=CN1 CNP0033331.0 [1,0,0,1,0,0|1,0,1]=4 323 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [1,0,0,1,0,0|0,0,1]=3 324 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [1,0,0,1,0,0|1,0,0]=3 325 B12R1.267 CC1=C(CCCC1)CC=CC=O CNP0578416.0 [1,0,0,1,0,0|0,0,2]=4 326 B12R1.267 CCCCCC1CCCOC1=O CNP0206110.0 [1,0,0,1,0,0|1,0,1]=4 327 B12R1.550 C1=CCCCCCCCCCC1 CNP0182865.0 [1,0,0,1,0,0|1,0,1]=4 328 B12R1.1410 CCCCC[C@H]1O[C@@H]1/C=C/C=O CNP0381655.1 [1,0,0,1,0,0|1,0,0]=3 329 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [1,0,0,1,0,0|0,0,2]=4 330 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [1,0,0,1,0,0|0,0,1]=3 331 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [1,0,0,1,0,0|0,0,1]=3 332 B12R1.28 CC/C=C\C[C@@H]1CC=CC(=O)O1 CNP0304703.1 [1,0,0,1,0,0|0,0,2]=4 333 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [1,0,0,1,0,0|0,0,2]=4 334 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [1,0,0,1,0,0|1,0,1]=4 335 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [1,0,0,1,0,0|1,0,0]=3 336 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [1,0,0,1,0,0|0,0,0]=2 337 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [1,0,0,1,0,0|0,0,1]=3 338 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [1,0,0,1,0,0|1,0,0]=3 339 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [1,0,0,1,0,0|0,0,1]=3 340 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [1,0,0,1,0,0|1,0,1]=4 341 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [1,0,0,1,0,0|1,0,1]=4 342 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [1,0,0,1,0,0|1,0,1]=4 343 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [1,0,0,1,0,0|1,0,1]=4 344 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [1,0,0,1,0,0|0,0,1]=3 345 B12R1.141 C[C@H]1CCC/C=C/C=C\C(=O)O1 CNP0395842.1 [1,0,0,1,0,0|0,0,2]=4 346 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [1,0,0,1,0,0|0,0,1]=3 347 B12R1.252 CC(=O)OCCC1CCCCC1 CNP0194126.0 [1,0,0,1,0,0|2,0,0]=4 348 B12R1.252 NC(=O)CCCC1CCCCC1 CNP0606256.0 [1,0,0,1,0,0|1,0,1]=4 349 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [1,0,0,1,0,0|0,0,1]=3 350 B14R1.4898 CC(C)CCC[C@H]1CCCCC(=O)O1 CNP0350825.1 [0,1,0,1,0,0|0,0,2]=4 351 B14R1.26 CCCCC/C=C\[C@H]1CC=CC(=O)O1 CNP0349305.1 [0,1,0,1,0,0|0,0,1]=3 352 B14R1.26 CCCCCC=C[C]1CC=CC(=O)O1 CNP0546887.0 [0,1,0,1,0,0|0,0,2]=4 353 B14R1.26 CCCCCCCC1=CC=CC(=O)O1 CNP0355407.0 [0,1,0,1,0,0|0,0,1]=3 354 B14R1.26 CCCCCCC[C@@H]1CC=CC(=O)O1 CNP0175844.1 [0,1,0,1,0,0|0,0,0]=2 355 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 CNP0316484.1 [0,1,0,1,0,0|0,0,2]=4 356 B14R1.122 CCCCCCCC[C@@H]1CCC(=O)O1 CNP0390908.2 [0,1,0,1,0,0|0,0,2]=4 357 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 CNP0390908.1 [0,1,0,1,0,0|0,0,2]=4 358 B14R1.241 C[C@H]1O[C@H]1CCCCCCCC(=O)O CNP0262619.1 [0,1,0,1,0,0|0,0,2]=4 359 B14R1.326 CC1CCCC=CCC=CCC(=O)O1 CNP0329819.0 [0,1,0,1,0,0|0,0,2]=4 360 B14R1.326 CC1CCCCCCCCCC(=O)O1 CNP0584711.0 [0,1,0,1,0,0|0,0,2]=4 361 B14R1.326 C[C@@H]1CCCCCC/C=C\CC(=O)O1 CNP0330088.2 [0,1,0,1,0,0|0,0,0]=2 362 B14R1.326 C[C@H]1CCCCCC/C=C\CC(=O)O1 CNP0330088.1 [0,1,0,1,0,0|0,0,0]=2 363 B14R1.1252 CCCCCCC1CCCCC(=O)O1 CNP0301204.0 [0,1,0,1,0,0|0,0,2]=4 364 B14R1.4408 O=C1CC=CCC=CCCCCCO1 CNP0306105.0 [0,1,0,1,0,0|0,0,2]=4 365 B14R1.4408 O=C1CC=CCCCCCCCCO1 CNP0106632.0 [0,1,0,1,0,0|0,0,0]=2 366 B14R1.4408 O=C1CCCCCCCCCCCO1 CNP0320182.0 [0,1,0,1,0,0|0,0,2]=4 367 B14R1.6388 O=C(O)CCCCCCCCC1CC1 CNP0507777.0 [0,1,0,1,0,0|0,0,2]=4 368 B14R1.148 CC(C)CCCCC1CCCC(=O)O1 CNP0278781.0 [0,1,0,1,0,0|0,0,2]=4 369 B14R1.128 CC(C)CCCCCC1=CCC(=O)O1 CNP0116039.0 [0,1,0,1,0,0|0,0,2]=4 370 B14R1.128 CC(C)CCCCCC1CCC(=O)O1 CNP0189605.0 [0,1,0,1,0,0|0,0,2]=4 371 B14R1.128 CC(C)CCCCC[C@H]1C=CC(=O)O1 CNP0351121.1 [0,1,0,1,0,0|0,0,0]=2 372 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CNP0506475.0 [0,1,0,1,0,0|1,0,1]=4 373 B14R1.247 O=C1NCCCCCCCCNC1=O CNP0435370.0 [0,1,0,1,0,0|2,0,0]=4 374 B14R1.1247 CCCCCC[C@H]1C[C@@H]1CC(=O)OC CNP0242920.1 [0,1,0,1,0,0|0,0,2]=4 375 B14R1.423 O=C(O)C=CC(=O)NC1CCCCC1 CNP0071037.0 [0,1,0,1,0,0|1,0,1]=4 376 B14R1.3126 CCCCCCC[C@H]1OC(=O)C[C@H]1C CNP0537001.1 [0,1,0,1,0,0|0,0,2]=4 377 B14R2.4 C[C@H]1CC[C@H]2[C@@H]1COC=C2C(=O)O CNP0521918.1 [0,0,0,2,0,0|1,0,0]=3