0 B13R1.27 C=CC/C=C/CC[C@@H]1CCC(=O)O1 CNP0295277.1 [0,0,0,0,0,0|0,0,4]=4 1 B13R1.27 CCCCCCCC1C=CC(=O)O1 CNP0546311.0 [0,0,0,0,0,0|0,0,2]=2 2 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.7 CC/C=C\CC[C@@H]1CCC(=O)O1 CNP0155481.1 [1,0,0,0,0,0|0,0,2]=3 5 B12R1.7 CCCC#CC[C@@H]1CCC(=O)O1 CNP0502318.1 [1,0,0,0,0,0|0,0,2]=3 6 B12R1.7 CCCC#CC[C@H]1CCC(=O)O1 CNP0502318.2 [1,0,0,0,0,0|0,0,2]=3 7 B12R1.7 CCCC/C=C/[C@@H]1CCC(=O)O1 CNP0294623.2 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.7 CCCC/C=C\[C@@H]1CCC(=O)O1 CNP0294623.1 [1,0,0,0,0,0|0,0,2]=3 9 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [1,0,0,0,0,0|0,0,2]=3 10 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [1,0,0,0,0,0|0,0,0]=1 11 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [1,0,0,0,0,0|0,0,0]=1 12 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [1,0,0,0,0,0|0,0,3]=4 13 B14R1.122 CC/C=C\C/C=C\C[C@@H]1CCC(=O)O1 CNP0188453.1 [0,1,0,0,0,0|0,0,3]=4 14 B14R1.122 CCCCC/C=C/C[C@@H]1CCC(=O)O1 CNP0208703.2 [0,1,0,0,0,0|0,0,1]=2 15 B14R1.122 CCCCC/C=C/C[C@H]1CCC(=O)O1 CNP0208703.1 [0,1,0,0,0,0|0,0,1]=2 16 B14R1.122 CCCCC/C=C\C[C@@H]1CCC(=O)O1 CNP0208703.3 [0,1,0,0,0,0|0,0,1]=2 17 B14R1.122 CCCCC/C=C\C[C@H]1CCC(=O)O1 CNP0208703.4 [0,1,0,0,0,0|0,0,1]=2 18 B14R1.122 CCCCCC/C=C/[C@@H]1CCC(=O)O1 CNP0179736.1 [0,1,0,0,0,0|0,0,1]=2 19 B14R1.122 CCCCCC/C=C/[C@H]1CCC(=O)O1 CNP0179736.3 [0,1,0,0,0,0|0,0,1]=2 20 B14R1.122 CCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0179736.2 [0,1,0,0,0,0|0,0,1]=2 21 B14R1.122 CCCCCCCC[C@@H]1CCC(=O)O1 CNP0390908.2 [0,1,0,0,0,0|0,0,0]=1 22 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 CNP0390908.1 [0,1,0,0,0,0|0,0,0]=1 23 B14R1.128 CC(C)CCCCCC1=CCC(=O)O1 CNP0116039.0 [0,1,0,0,0,0|0,0,2]=3 24 B14R1.128 CC(C)CCCCCC1CCC(=O)O1 CNP0189605.0 [0,1,0,0,0,0|0,0,0]=1 25 B14R1.128 CC(C)CCCCC[C@H]1C=CC(=O)O1 CNP0351121.1 [0,1,0,0,0,0|0,0,2]=3 26 B14R1.3126 CCCCCCC[C@H]1OC(=O)C[C@H]1C CNP0537001.1 [0,1,0,0,0,0|0,0,0]=1 27 B14R1.3452 CCCCCCCC1=C(C(=O)OC1)C CNP0225358.0 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.3454 CCCCCCC[C@@H]1CC[C@@H](N1)CC CNP0199916.1 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.9634 CCCCCCCC1(OCC(O1)C)C CNP0003222.0 [0,1,0,0,0,0|2,0,1]=4 30 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,0,1,0,0,0|1,0,1]=3 31 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [0,0,1,0,0,0|3,0,0]=4 32 B12R0.4 CCCCCCC[C@H](C)CC(C)C CNP0113315.1 [0,0,1,0,0,0|2,0,1]=4 33 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,0,1,0,0,0|0,0,0]=1 34 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [0,0,1,0,0,0|3,0,0]=4 35 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,0,1,0,0,0|0,0,2]=3 36 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,0,1,0,0,0|0,0,2]=3 37 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [0,0,1,0,0,0|0,0,3]=4 38 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [0,0,1,0,0,0|0,0,3]=4 39 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,0,1,0,0,0|0,0,2]=3 40 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,0,1,0,0,0|1,0,2]=4 41 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,0,1,0,0,0|0,0,2]=3 42 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,0,1,0,0,0|1,0,0]=2 43 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,0,1,0,0,0|0,0,0]=1 44 B12R0.234 CCCCCCCCCCC(C)C CNP0258052.0 [0,0,1,0,0,0|2,0,1]=4 45 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [0,0,1,0,0,0|0,0,2]=3 46 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [0,0,1,0,0,0|1,0,1]=3 47 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,0,1,0,0,0|2,0,0]=3 48 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,0,1,0,0,0|1,0,2]=4 49 B12R0.234 O=C(O)CCCCCCC=CCO CNP0316414.0 [0,0,1,0,0,0|1,0,2]=4 50 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,0,1,0,0,0|1,0,0]=2 51 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,0,1,0,0,0|1,0,2]=4 52 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,0,1,0,0,0|0,0,2]=3 53 B12R0.248 CCC=CCCCCOC(=O)CC CNP0209959.0 [0,0,1,0,0,0|0,0,2]=3 54 B12R0.248 CCCCC=CCCOC(=O)CC CNP0105555.0 [0,0,1,0,0,0|0,0,2]=3 55 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,0,1,0,0,0|2,0,1]=4 56 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,0,1,0,0,0|1,0,0]=2 57 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,0,1,0,0,0|2,0,0]=3 58 B12R0.248 CCCCCCCCCC(C)CC CNP0349662.0 [0,0,1,0,0,0|2,0,1]=4 59 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,0,1,0,0,0|0,0,0]=1 60 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,0,1,0,0,0|3,0,0]=4 61 B14R1.26 CCCCC/C=C\[C@H]1CC=CC(=O)O1 CNP0349305.1 [0,0,0,0,0,1|0,0,3]=4 62 B14R1.26 CCCCCCCC1=CC=CC(=O)O1 CNP0355407.0 [0,0,0,0,0,1|0,0,3]=4 63 B14R1.26 CCCCCCC[C@@H]1CC=CC(=O)O1 CNP0175844.1 [0,0,0,0,0,1|0,0,1]=2 64 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 CNP0316484.1 [0,0,0,0,0,1|0,0,0]=1 65 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [1,0,1,0,0,0|0,0,2]=4 66 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [1,0,1,0,0,0|2,0,0]=4 67 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [1,0,1,0,0,0|0,0,0]=2 68 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [1,0,1,0,0,0|1,0,1]=4 69 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [1,0,1,0,0,0|1,0,1]=4 70 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [1,0,1,0,0,0|0,0,1]=3 71 B11R0.4 CCCCCCO[C@H](C)OCC CNP0259643.1 [1,0,1,0,0,0|1,0,1]=4 72 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [1,0,1,0,0,0|0,0,2]=4 73 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [1,0,1,0,0,0|0,0,2]=4 74 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [1,0,1,0,0,0|0,0,2]=4 75 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [1,0,1,0,0,0|0,0,2]=4 76 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [1,0,1,0,0,0|0,0,2]=4 77 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [1,0,1,0,0,0|0,0,2]=4 78 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [1,0,1,0,0,0|0,0,2]=4 79 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [1,0,1,0,0,0|0,0,2]=4 80 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [1,0,1,0,0,0|0,0,2]=4 81 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [1,0,1,0,0,0|0,0,2]=4 82 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [1,0,1,0,0,0|0,0,2]=4 83 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [1,0,1,0,0,0|0,0,2]=4 84 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [1,0,1,0,0,0|1,0,1]=4 85 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [1,0,1,0,0,0|0,0,2]=4 86 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [1,0,1,0,0,0|2,0,0]=4 87 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [1,0,1,0,0,0|1,0,0]=3 88 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [1,0,1,0,0,0|1,0,0]=3 89 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [1,0,1,0,0,0|1,0,0]=3 90 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [1,0,1,0,0,0|0,0,0]=2 91 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [1,0,1,0,0,0|0,1,0]=3 92 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [1,0,1,0,0,0|0,0,1]=3 93 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [1,0,1,0,0,0|0,0,1]=3 94 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [1,0,1,0,0,0|0,0,1]=3 95 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [1,0,1,0,0,0|0,0,1]=3 96 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [1,0,1,0,0,0|0,0,1]=3 97 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [1,0,1,0,0,0|1,0,1]=4 98 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [1,0,1,0,0,0|1,0,1]=4 99 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [1,0,1,0,0,0|0,0,0]=2 100 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [1,0,1,0,0,0|0,0,0]=2 101 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [1,0,1,0,0,0|0,1,0]=3 102 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [1,0,1,0,0,0|1,0,0]=3 103 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [1,0,1,0,0,0|1,0,0]=3 104 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [1,0,1,0,0,0|1,0,0]=3 105 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [1,0,1,0,0,0|1,0,1]=4 106 B11R0.124 CCCCCCCC(OC)OC CNP0398698.0 [1,0,1,0,0,0|1,0,1]=4 107 B11R0.161 CCCCCC[C@@H](CC)OCC CNP0201095.2 [1,0,1,0,0,0|1,0,1]=4 108 B11R0.161 CCCCCC[C@H](CC)OCC CNP0201095.1 [1,0,1,0,0,0|1,0,1]=4 109 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [1,0,1,0,0,0|1,0,1]=4 110 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [1,0,1,0,0,0|0,0,2]=4 111 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [1,0,1,0,0,0|2,0,0]=4 112 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [1,0,1,0,0,0|1,0,0]=3 113 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [1,0,1,0,0,0|2,0,0]=4 114 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [1,0,1,0,0,0|0,0,2]=4 115 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,0,1,0,0,0|1,0,1]=4 116 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,0,1,0,0,0|1,0,0]=3 117 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [1,0,1,0,0,0|0,0,2]=4 118 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [1,0,1,0,0,0|0,0,2]=4 119 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [1,0,1,0,0,0|2,0,0]=4 120 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [1,0,1,0,0,0|1,0,1]=4 121 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [1,0,1,0,0,0|0,0,0]=2 122 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [1,0,1,0,0,0|1,0,1]=4 123 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [1,0,1,0,0,0|0,0,1]=3 124 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [1,0,1,0,0,0|2,0,0]=4 125 B11R0.3 CCCCCCCCCCON CNP0565549.0 [1,0,1,0,0,0|2,0,0]=4 126 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [1,0,1,0,0,0|1,0,1]=4 127 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [1,0,1,0,0,0|1,0,1]=4 128 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [1,0,1,0,0,0|1,0,1]=4 129 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [1,0,1,0,0,0|1,0,1]=4 130 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [1,0,1,0,0,0|0,0,2]=4 131 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [1,0,1,0,0,0|1,0,0]=3 132 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [1,0,1,0,0,0|0,0,2]=4 133 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [1,0,1,0,0,0|0,0,0]=2 134 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [1,0,1,0,0,0|1,0,0]=3 135 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [1,0,1,0,0,0|0,0,2]=4 136 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [1,0,1,0,0,0|1,0,1]=4 137 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [1,0,1,0,0,0|0,0,0]=2 138 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [2,0,0,0,0,0|1,0,1]=4 140 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [2,0,0,0,0,0|0,0,2]=4 141 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [2,0,0,0,0,0|0,0,2]=4 142 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [2,0,0,0,0,0|0,0,2]=4 143 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [2,0,0,0,0,0|0,0,0]=2 144 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [2,0,0,0,0,0|0,0,0]=2 145 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [2,0,0,0,0,0|0,0,2]=4 146 B13R0.274 CCCCCCC[C@@H](O)CC(=O)SC CNP0526799.1 [0,1,1,0,0,0|2,0,0]=4 147 B13R0.274 CCCCCCC[C@H](O)CC(=O)OC CNP0172127.1 [0,1,1,0,0,0|2,0,0]=4 148 B13R0.335 CC(=O)OC(=O)CCCCCCCO CNP0220022.0 [0,1,1,0,0,0|1,0,1]=4 149 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [0,1,1,0,0,0|0,0,2]=4 150 B13R0.1 CCCCCCC(O)CCOC(=O)C CNP0003220.0 [0,1,1,0,0,0|2,0,0]=4 151 B13R0.1 CCCCCC[C@@H](O)C/C=C/C(=O)O CNP0159289.2 [0,1,1,0,0,0|0,0,2]=4 152 B13R0.1 CCCCCC[C@H](O)C/C=C/C(=O)O CNP0159289.1 [0,1,1,0,0,0|0,0,2]=4 153 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [0,1,1,0,0,0|0,0,0]=2 154 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [0,1,1,0,0,0|2,0,0]=4 155 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [0,1,1,0,0,0|1,0,1]=4 156 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,1,1,0,0,0|0,0,1]=3 157 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,1,1,0,0,0|0,0,1]=3 158 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,1,1,0,0,0|0,0,1]=3 159 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,1,1,0,0,0|0,0,1]=3 160 B13R0.54 CCCCCC=CCCCCC(=O)C CNP0213133.0 [0,1,1,0,0,0|1,0,1]=4 161 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,1,1,0,0,0|0,0,1]=3 162 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,1,1,0,0,0|0,0,1]=3 163 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,1,1,0,0,0|0,0,1]=3 164 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,1,1,0,0,0|0,0,1]=3 165 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,1,1,0,0,0|1,0,1]=4 166 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,1,1,0,0,0|0,0,1]=3 167 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [0,1,1,0,0,0|1,0,0]=3 168 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [0,1,1,0,0,0|1,0,0]=3 169 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,1,1,0,0,0|0,0,0]=2 170 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [0,1,1,0,0,0|0,0,1]=3 171 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [0,1,1,0,0,0|0,0,1]=3 172 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [0,1,1,0,0,0|0,0,1]=3 173 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [0,1,1,0,0,0|0,0,1]=3 174 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [0,1,1,0,0,0|0,0,1]=3 175 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [0,1,1,0,0,0|1,0,1]=4 176 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [0,1,1,0,0,0|1,0,1]=4 177 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [0,1,1,0,0,0|1,0,0]=3 178 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [0,1,1,0,0,0|0,1,0]=3 179 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,1,1,0,0,0|0,0,0]=2 180 B13R0.54 O=C(O)CCCCCCCC=CCO CNP0273167.0 [0,1,1,0,0,0|0,0,2]=4 181 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,1,1,0,0,0|0,0,0]=2 182 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,1,1,0,0,0|0,0,0]=2 183 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,1,1,0,0,0|0,0,1]=3 184 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [0,1,1,0,0,0|2,0,0]=4 185 B13R0.147 C#CCCCCCCCCC(=O)OC CNP0522205.0 [0,1,1,0,0,0|0,0,2]=4 186 B13R0.147 C=CCCCCCCCCC(=O)NO CNP0361306.0 [0,1,1,0,0,0|0,0,2]=4 187 B13R0.147 C=CCCCCCCCCC(=O)OC CNP0148219.0 [0,1,1,0,0,0|0,0,2]=4 188 B13R0.147 CC=CCCCCCCCC(=O)OC CNP0092960.0 [0,1,1,0,0,0|0,0,2]=4 189 B13R0.147 CCCCCCCCC#CC(=O)OC CNP0140131.0 [0,1,1,0,0,0|0,0,2]=4 190 B13R0.147 CCCCCCCCC=CC(=O)OC CNP0122148.0 [0,1,1,0,0,0|0,0,2]=4 191 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [0,1,1,0,0,0|1,0,1]=4 192 B13R0.147 CCCCCCCCCC=C(Cl)CO CNP0255372.0 [0,1,1,0,0,0|1,0,1]=4 193 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [0,1,1,0,0,0|1,0,0]=3 194 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,1,1,0,0,0|0,0,0]=2 195 B13R0.147 CCCCCCCCCOC(=O)CC CNP0113142.0 [0,1,1,0,0,0|2,0,0]=4 196 B13R0.147 CSCCCCCCCCC(=NO)S CNP0083848.0 [0,1,1,0,0,0|1,1,0]=4 197 B13R0.147 CSCCCCCCCCC(=S)NO CNP0512497.0 [0,1,1,0,0,0|1,1,0]=4 198 B13R0.150 CCCCCCCCCC(C)C(=O)C CNP0524122.0 [0,1,1,0,0,0|1,0,0]=3 199 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [0,1,1,0,0,0|0,0,0]=2 200 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [0,1,1,0,0,0|0,0,0]=2 201 B13R0.150 CSCCCCCCCC(=O)C(=O)O CNP0352754.0 [0,1,1,0,0,0|1,0,1]=4 202 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [0,1,1,0,0,0|1,0,0]=3 203 B13R0.179 CC(=O)CCCCCCCCC(C)C CNP0219481.0 [0,1,1,0,0,0|1,0,0]=3 204 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [0,1,1,0,0,0|0,0,0]=2 205 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [0,1,1,0,0,0|0,0,0]=2 206 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [0,1,1,0,0,0|0,0,0]=2 207 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)N CNP0508234.0 [0,1,1,0,0,0|2,0,0]=4 208 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [0,1,1,0,0,0|1,0,0]=3 209 B13R0.179 O=C(O)CCCCCCCCC(=O)O CNP0311812.0 [0,1,1,0,0,0|1,0,1]=4 210 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [0,1,1,0,0,0|0,0,1]=3 211 B13R0.188 NCSCCC(S)CCCCC(=O)O CNP0046006.0 [0,1,1,0,0,0|2,0,0]=4 212 B13R0.202 C=C[C@@H](O)CCCCCCCC(=O)O CNP0388665.1 [0,1,1,0,0,0|0,0,2]=4 213 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [0,1,1,0,0,0|0,0,0]=2 214 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [0,1,1,0,0,0|0,0,0]=2 215 B13R0.202 COC(=O)CCCCCCCC(=O)O CNP0202412.0 [0,1,1,0,0,0|1,0,1]=4 216 B13R0.280 CCCCCCCCCCP(=O)(C)C CNP0504286.0 [0,1,1,0,0,0|2,0,0]=4 217 B13R0.280 CCCCCCCCCCS(=O)(=O)O CNP0529919.0 [0,1,1,0,0,0|1,0,0]=3 218 B13R0.280 CCCCCCCCCNS(=O)(=O)O CNP0476345.0 [0,1,1,0,0,0|2,0,0]=4 219 B13R0.280 CCCCCCCCCOS(=O)(=O)O CNP0359482.0 [0,1,1,0,0,0|2,0,0]=4 220 B13R0.2 CCCCCC=CCOC(=O)CCC CNP0047858.0 [0,1,1,0,0,0|0,0,2]=4 221 B13R0.2 CCCCCCC=COC(=O)CCC CNP0492034.0 [0,1,1,0,0,0|0,0,2]=4 222 B13R0.2 CCCCCCCC=CC(=O)OCC CNP0323878.0 [0,1,1,0,0,0|1,0,1]=4 223 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [0,1,1,0,0,0|1,0,1]=4 224 B13R0.2 CCCCCCCCCC(=O)CCC CNP0343183.0 [0,1,1,0,0,0|1,0,0]=3 225 B13R0.2 CCCCCCCCCC(=O)OCC CNP0245893.0 [0,1,1,0,0,0|1,0,0]=3 226 B13R0.2 CCCCCCCCOC(=O)CCC CNP0140143.0 [0,1,1,0,0,0|0,0,0]=2 227 B13R0.2 CCOC(=O)CCCCCCCCO CNP0242583.0 [0,1,1,0,0,0|2,0,0]=4 228 B13R0.340 CCCCCCCC[C@@H](C)C(=O)OC CNP0315114.1 [0,1,1,0,0,0|2,0,0]=4 229 B13R1.23 CCCCC[C@@H](O)[C@@H]1CCC(=O)O1 CNP0381718.2 [1,1,0,0,0,0|0,0,0]=2 230 B13R1.23 CCCCC[C@@H](O)[C@H]1CCC(=O)O1 CNP0381718.3 [1,1,0,0,0,0|0,0,0]=2 231 B13R1.23 CCCCC[C@H](O)[C@@H]1CCC(=O)O1 CNP0381718.1 [1,1,0,0,0,0|0,0,0]=2 232 B13R1.23 CCCCC[C@H](O)[C@H]1CCC(=O)O1 CNP0381718.4 [1,1,0,0,0,0|0,0,0]=2 233 B13R1.128 CC(C)CCCCC1CCC(=O)O1 CNP0213089.0 [1,1,0,0,0,0|0,0,0]=2 234 B13R1.190 CCCCCCC1OC(=O)CC1C CNP0251689.0 [1,1,0,0,0,0|0,0,0]=2 235 B13R1.190 CCCCCC[C@@H]1CC(=O)CC1=O CNP0252659.1 [1,1,0,0,0,0|1,0,1]=4 236 B13R1.3688 CCC=CCCC1(CCC(=O)O1)C CNP0190036.0 [1,1,0,0,0,0|0,0,2]=4 237 B13R1.3688 CCCCCCC1(CCC(=O)O1)C CNP0002940.0 [1,1,0,0,0,0|0,0,0]=2 238 B13R1.119 CCCCCCCCC1CCCC1 CNP0080496.0 [1,1,0,0,0,0|1,0,1]=4 239 B13R1.654 CCCCCCCC1CCCC1=O CNP0079998.0 [1,1,0,0,0,0|1,0,1]=4 240 B15R1.106 CCCCCCCCC1CCCC(=O)O1 CNP0174932.0 [0,1,0,0,0,1|0,0,0]=2 241 B15R1.119 C[C@@H](O)CCCCC[C@@H]1CC=CC(=O)O1 CNP0234475.1 [0,1,0,0,0,1|0,0,1]=3 242 B15R1.942 CCC(C)CCCCC1CCCC(=O)O1 CNP0351135.0 [0,1,0,0,0,1|0,0,0]=2 243 B15R1.1010 CCCCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0545694.1 [0,1,0,0,0,1|0,0,0]=2 244 B15R1.110 CC(O)CCCCCC[C@H]1CCC(=O)O1 CNP0339495.1 [0,2,0,0,0,0|0,0,0]=2 245 B15R1.961 CCC(C)CCCCCC1=CCC(=O)O1 CNP0351128.0 [0,2,0,0,0,0|0,0,2]=4 246 B15R1.961 CCC(C)CCCCCC1CCC(=O)O1 CNP0271081.0 [0,2,0,0,0,0|0,0,0]=2 247 B15R1.961 CCC(O)CCCCC[C@H]1C=CC(=O)O1 CNP0297747.1 [0,2,0,0,0,0|0,0,2]=4 248 B15R1.961 CC[C@@H](O)CCCCC[C@H]1CCC(=O)O1 CNP0208587.1 [0,2,0,0,0,0|0,0,0]=2 249 B15R1.961 CC[C@H](C)CCCCC[C@H]1C=CC(=O)O1 CNP0351122.1 [0,2,0,0,0,0|0,0,2]=4 250 B15R1.961 CC[C@H](O)CCCCC[C@H]1C=CC(=O)O1 CNP0297747.2 [0,2,0,0,0,0|0,0,2]=4 251 B15R1.5365 CCCCC/C=C\C[C@@H]1OC(=O)C[C@H]1C CNP0222757.1 [0,2,0,0,0,0|0,0,1]=3 252 B15R1.5365 CCCCCCCC[C@@H]1CC(=O)CC1=O CNP0321800.1 [0,2,0,0,0,0|1,0,1]=4 253 B15R1.5469 CC(C)(O)CCCCC[C@@H]1C=CC(=O)O1 CNP0293457.2 [0,2,0,0,0,0|0,0,2]=4 254 B15R1.5469 CC(C)(O)CCCCC[C@H]1C=CC(=O)O1 CNP0293457.1 [0,2,0,0,0,0|0,0,2]=4 255 B13R1.775 C[C@@H]1CCCCC[C@@H](CC(=O)O1)O CNP0358124.2 [0,0,1,1,0,0|1,0,0]=3 256 B13R1.775 C[C@@H]1CCCCC[C@H](CC(=O)O1)O CNP0358124.1 [0,0,1,1,0,0|1,0,0]=3 257 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [0,0,1,1,0,0|2,0,0]=4 258 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [0,0,1,1,0,0|2,0,0]=4 259 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [0,0,1,1,0,0|2,0,0]=4 260 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [0,0,1,1,0,0|2,0,0]=4 261 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [0,0,1,1,0,0|2,0,0]=4 262 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [0,0,1,1,0,0|2,0,0]=4 263 B13R1.279 OC1CCCCCCCCCCC1 CNP0367434.0 [0,0,1,1,0,0|1,0,1]=4 264 B13R1.6 CCC=CCCC1CCCC(=O)O1 CNP0119575.0 [0,0,1,1,0,0|0,0,2]=4 265 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,0,1,1,0,0|0,0,0]=2 266 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,0,1,1,0,0|1,0,0]=3 267 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [0,0,1,1,0,0|0,0,0]=2 268 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [0,0,1,1,0,0|1,0,0]=3 269 B13R1.9 CCCCCCC1COC(=O)CO1 CNP0002636.0 [0,0,1,1,0,0|1,0,0]=3 270 B13R2.260 CCOC1CCC2N1C(=O)CC2 CNP0511470.0 [1,0,0,1,0,0|2,0,0]=4 271 B15R2.16519 CC/C=C\C[C@@H]1CC[C@H]2[C@@H]1CC(=O)O2 CNP0361007.1 [0,1,0,1,0,0|0,0,1]=3 272 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,0,1,0,1,0|0,0,2]=4 273 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,0,1,0,1,0|0,0,0]=2 274 B11R0.42 CCCCCCCC(C)C(C)C CNP0351892.0 [0,0,1,0,1,0|1,0,1]=4 275 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,0,1,0,1,0|2,0,0]=4 276 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,0,1,0,1,0|1,0,0]=3 277 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,0,1,0,1,0|2,0,0]=4 278 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,0,1,0,1,0|2,0,0]=4 279 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [0,0,0,0,2,0|1,0,1]=4