0 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.148 C=CCCCC=CCOC(=O)C CNP0076931.0 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,0,0,0,0,0|0,0,0]=0 5 B11R0.148 C=CCCCCCCCC(C)C CNP0591063.0 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.148 CC=CCCC=CCCC(=O)O CNP0199986.0 [0,0,0,0,0,0|0,0,4]=4 8 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,0,0,0,0,0|0,0,4]=4 10 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,0,0,0,0,0|0,0,4]=4 11 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,0,0,0,0,0|0,0,4]=4 12 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,0,0,0,0,0|0,0,4]=4 13 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,0,0,0,0,0|0,0,4]=4 14 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,0,0,0,0,0|0,0,4]=4 15 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,0,0,0,0,0|1,0,2]=3 16 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,0,0,0,0,0|0,0,2]=2 19 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,0,0,0,0,0|0,1,2]=3 20 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,0,0,0,0,0|0,0,3]=3 21 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,0,0,0,0,0|0,0,3]=3 22 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,0,0,0,0,0|0,0,3]=3 23 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,0,0,0,0,0|0,0,3]=3 24 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,0,0,0,0,0|0,0,3]=3 25 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,0,0,0,0,0|1,0,3]=4 26 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,0,0,0,0,0|1,0,3]=4 27 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,0,0,0,0,0|1,0,1]=2 31 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.148 C[S@+]([O-])CCCCCCCC=N CNP0478957.1 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.148 C[S@H+]([O-])CCCCCCCC=N CNP0504595.1 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,0,0,0,0,0|1,0,1]=2 35 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,0,0,0,0,0|1,0,0]=1 36 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [1,0,0,0,0,0|0,0,2]=3 37 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [1,0,0,0,0,0|1,0,0]=2 38 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [1,0,0,0,0,0|0,0,0]=1 39 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,0,0,0,0,0|2,0,0]=3 40 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [1,0,0,0,0,0|1,0,2]=4 41 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [1,0,0,0,0,0|0,0,2]=3 42 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [1,0,0,0,0,0|0,0,3]=4 43 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,0,0,0,0,0|0,0,3]=4 44 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,0,0,0,0,0|0,0,3]=4 45 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [1,0,0,0,0,0|1,0,1]=3 48 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,0,0,0,0,0|0,0,1]=2 49 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,0,0,0,0,0|1,0,2]=4 50 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,0,0,0,0,0|1,0,2]=4 51 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,0,0,0,0,0|1,0,0]=2 53 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [1,0,0,0,0,0|2,0,0]=3 54 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [1,0,0,0,0,0|2,0,0]=3 55 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,0,0,0,0,0|1,0,0]=2 56 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,0,0,0,0,0|1,0,0]=2 57 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [1,0,0,0,0,0|0,0,2]=3 58 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [1,0,0,0,0,0|1,0,0]=2 59 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [1,0,0,0,0,0|0,0,0]=1 60 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,0,0,0,0|1,0,1]=3 61 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [1,0,0,0,0,0|0,0,1]=2 62 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,0,0,0,0|0,0,2]=3 63 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,0,0,0,0,0|0,0,3]=4 64 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,0,0,0,0,0|1,0,2]=4 65 B10R0.71 OCCCCCCCCCO CNP0496013.0 [1,0,0,0,0,0|1,0,2]=4 66 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [0,1,0,0,0,0|0,0,3]=4 67 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [0,1,0,0,0,0|0,0,2]=3 68 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [0,1,0,0,0,0|0,0,2]=3 69 B12R0.95 CCCC[C@H](O)CCCCC(=O)O CNP0272139.1 [0,1,0,0,0,0|0,0,2]=3 70 B12R0.184 C=CC(O)CCCCCCC(=O)O CNP0087002.0 [0,1,0,0,0,0|0,0,0]=1 71 B12R0.184 CC[C@H](C)CCCCCCC(=O)O CNP0206079.1 [0,1,0,0,0,0|0,0,2]=3 72 B12R0.184 COC(=O)CCCCCCC(=O)O CNP0275563.0 [0,1,0,0,0,0|1,0,2]=4 73 B12R0.184 NCC(=O)CCCCCCC(=O)O CNP0327835.0 [0,1,0,0,0,0|1,0,2]=4 74 B12R0.233 C=C(CCCCC)CCCC(=O)O CNP0458205.0 [0,1,0,0,0,0|0,0,3]=4 75 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [0,1,0,0,0,0|0,0,3]=4 76 B12R0.233 CCCCC[C@H](O)CCCC(=O)O CNP0114225.1 [0,1,0,0,0,0|0,0,2]=3 77 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,1,0,0,0,0|0,0,2]=3 78 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,1,0,0,0,0|0,0,0]=1 79 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [0,1,0,0,0,0|0,0,1]=2 80 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [0,1,0,0,0,0|0,0,1]=2 81 B12R0.234 C=CCCCCCCCOC(=O)C CNP0204354.0 [0,1,0,0,0,0|1,0,0]=2 82 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,1,0,0,0,0|0,0,2]=3 83 B12R0.234 CC=CC#CCCCCCC(=O)O CNP0331359.0 [0,1,0,0,0,0|0,0,2]=3 84 B12R0.234 CC=CCCCCC=CCC(=O)O CNP0101195.0 [0,1,0,0,0,0|0,0,2]=3 85 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,1,0,0,0,0|0,0,3]=4 86 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,1,0,0,0,0|1,0,2]=4 87 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,1,0,0,0,0|0,0,2]=3 88 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,1,0,0,0,0|1,0,2]=4 89 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,1,0,0,0,0|1,0,2]=4 90 B12R0.234 O=C(O)CCCCCCC=CCO CNP0316414.0 [0,1,0,0,0,0|0,0,2]=3 91 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,1,0,0,0,0|0,0,2]=3 92 B12R0.234 O=CC=CCCCCCCC(=O)O CNP0212604.0 [0,1,0,0,0,0|0,0,1]=2 93 B12R0.248 C#CCCCCCCCC(=O)OC CNP0179424.0 [0,1,0,0,0,0|0,0,2]=3 94 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,1,0,0,0,0|1,0,2]=4 95 B12R0.248 C=CCCCCCCCC(=O)C=C CNP0268545.0 [0,1,0,0,0,0|1,0,0]=2 96 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,1,0,0,0,0|0,0,0]=1 97 B12R0.248 C=CCCCCCCCC(C)C=O CNP0082078.0 [0,1,0,0,0,0|1,0,1]=3 98 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [0,1,0,0,0,0|1,0,2]=4 99 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,1,0,0,0,0|1,0,2]=4 100 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,1,0,0,0,0|0,0,2]=3 101 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,1,0,0,0,0|1,0,0]=2 102 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,1,0,0,0,0|1,0,1]=3 103 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,1,0,0,0,0|0,0,3]=4 104 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,1,0,0,0,0|1,0,2]=4 105 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O CNP0216159.2 [0,1,0,0,0,0|0,0,2]=3 106 B12R0.251 CCCCCCCC[C@@H](O)C(=O)O CNP0143340.1 [0,1,0,0,0,0|0,0,2]=3 107 B12R0.251 CCCCCCCC[C@H](C)C(=O)O CNP0216159.1 [0,1,0,0,0,0|0,0,2]=3 108 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [0,1,0,0,0,0|1,0,2]=4 109 B12R0.251 CSCCCCCC[C@@H](N)C(=O)O CNP0384442.1 [0,1,0,0,0,0|1,0,1]=3 110 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,1,0,0,0,0|0,0,3]=4 111 B12R0.268 CC(=O)CCCCCC=CC(=O)O CNP0240565.0 [0,1,0,0,0,0|0,0,3]=4 112 B12R0.268 CC(=O)CCCCCCCC(C)C CNP0566315.0 [0,1,0,0,0,0|1,0,2]=4 113 B12R0.268 CC(C)CCCCCCCC(=O)O CNP0109886.0 [0,1,0,0,0,0|0,0,2]=3 114 B12R0.268 C[C@@H](O)CCCCCCCC(=O)O CNP0241170.1 [0,1,0,0,0,0|0,0,2]=3 115 B12R0.268 O=C(O)C=CCCCCCC(=O)O CNP0140769.0 [0,1,0,0,0,0|1,0,2]=4 116 B12R0.268 O=C(O)CCCCCCC=C(Br)Br CNP0141349.0 [0,1,0,0,0,0|1,0,1]=3 117 B12R0.268 O=C(O)CCCCCCCC(=O)O CNP0225848.0 [0,1,0,0,0,0|1,0,0]=2 118 B12R0.268 O=C(O)CCCCCCON(O)O CNP0144881.0 [0,1,0,0,0,0|3,0,0]=4 119 B12R0.277 CCC[C@@H](C)CCCCCC(=O)O CNP0194627.1 [0,1,0,0,0,0|0,0,2]=3 120 B12R0.277 CCC[C@@H](N)CCCCCC(=O)O CNP0362333.2 [0,1,0,0,0,0|0,0,2]=3 121 B12R0.277 CCC[C@H](C)CCCCCC(=O)O CNP0194627.2 [0,1,0,0,0,0|0,0,2]=3 122 B12R0.277 CCC[C@H](N)CCCCCC(=O)O CNP0362333.1 [0,1,0,0,0,0|0,0,2]=3 123 B12R0.277 CCC[C@H](O)CCCCCC(=O)O CNP0317739.1 [0,1,0,0,0,0|0,0,2]=3 124 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,0,0,1,0,0|0,0,2]=3 125 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,0,0,1,0,0|0,0,2]=3 126 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,0,0,1,0,0|1,0,2]=4 127 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,0,0,1,0,0|0,0,2]=3 128 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,0,0,1,0,0|0,0,2]=3 129 B12R1.75 C=CC1=C(CCCC1)CC(=O)C CNP0507346.0 [0,0,0,1,0,0|1,0,2]=4 130 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [0,0,0,1,0,0|1,0,1]=3 131 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [0,0,0,1,0,0|1,0,1]=3 132 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [0,0,0,1,0,0|1,0,1]=3 133 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [0,0,0,1,0,0|1,0,1]=3 134 B12R1.125 NC(=O)CC[C@@H]1CCCCC1=O CNP0046552.1 [0,0,0,1,0,0|2,0,0]=3 135 B12R1.125 NC(=O)CC[C@H]1CCCCC1=O CNP0046552.2 [0,0,0,1,0,0|2,0,0]=3 136 B12R1.125 O=C(O)CC[C@@H]1CCCCC1=O CNP0451054.1 [0,0,0,1,0,0|1,0,0]=2 137 B12R1.125 O=C(O)CC[C@H]1CCCCC1=O CNP0451054.2 [0,0,0,1,0,0|1,0,0]=2 138 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,0,0,1,0,0|0,0,2]=3 139 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,0,0,1,0,0|0,0,2]=3 140 B12R1.143 O=C(O)CCCCCC1=CC1=O CNP0320876.0 [0,0,0,1,0,0|1,0,2]=4 141 B12R1.210 NC(=O)CN1CCCCCC1=O CNP0389880.0 [0,0,0,1,0,0|3,0,0]=4 142 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,0,0,1,0,0|2,0,1]=4 143 B12R1.252 NC(=O)CCCC1CCCCC1 CNP0606256.0 [0,0,0,1,0,0|1,0,2]=4 144 B12R1.255 NC(=O)CCCC[C@@H]1CCSS1 CNP0415814.1 [0,0,0,1,0,0|3,0,0]=4 145 B12R1.255 NC(=O)CCCC[C@H]1CCSS1 CNP0415814.2 [0,0,0,1,0,0|3,0,0]=4 146 B12R1.255 O=C(O)CCCC[C@@H]1C=CCC1 CNP0267651.1 [0,0,0,1,0,0|0,0,0]=1 147 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 CNP0120491.1 [0,0,0,1,0,0|2,0,0]=3 148 B12R1.255 O=C(O)CCCC[C@H]1C=CCC1 CNP0267651.2 [0,0,0,1,0,0|0,0,0]=1 149 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 CNP0120491.2 [0,0,0,1,0,0|2,0,0]=3 150 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,0,0,1,0,0|0,0,2]=3 151 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [2,0,0,0,0,0|1,0,0]=3 152 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [2,0,0,0,0,0|2,0,0]=4 153 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [2,0,0,0,0,0|0,0,2]=4 154 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [2,0,0,0,0,0|0,0,2]=4 155 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [2,0,0,0,0,0|0,0,2]=4 156 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [2,0,0,0,0,0|0,0,2]=4 157 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [2,0,0,0,0,0|1,0,0]=3 158 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [2,0,0,0,0,0|1,0,0]=3 159 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [2,0,0,0,0,0|1,0,0]=3 160 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|0,0,0]=2 161 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [2,0,0,0,0,0|0,0,1]=3 162 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [2,0,0,0,0,0|0,0,1]=3 163 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [2,0,0,0,0,0|0,0,1]=3 164 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [2,0,0,0,0,0|0,0,1]=3 165 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [2,0,0,0,0,0|0,0,1]=3 166 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [2,0,0,0,0,0|0,0,1]=3 167 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [2,0,0,0,0,0|1,0,1]=4 168 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [2,0,0,0,0,0|1,0,1]=4 169 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [2,0,0,0,0,0|1,0,0]=3 170 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [2,0,0,0,0,0|1,0,1]=4 171 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [2,0,0,0,0,0|2,0,0]=4 172 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [2,0,0,0,0,0|1,0,0]=3 173 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [2,0,0,0,0,0|2,0,0]=4 174 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [2,0,0,0,0,0|1,0,0]=3 175 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [2,0,0,0,0,0|0,0,2]=4 176 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [2,0,0,0,0,0|0,0,1]=3 177 B9R0.45 C=CCCCCCCCC CNP0330037.0 [2,0,0,0,0,0|0,0,1]=3 178 B9R0.45 C=CCCCCCCCO CNP0326407.0 [2,0,0,0,0,0|0,0,0]=2 179 B9R0.45 CCCCCCCC=CO CNP0085832.0 [2,0,0,0,0,0|0,0,2]=4 180 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|0,0,1]=3 181 B9R0.45 CCCCCCCCCO CNP0307663.0 [2,0,0,0,0,0|0,0,2]=4 182 B9R0.45 CCCCCCCNC=O CNP0503918.0 [2,0,0,0,0,0|1,0,1]=4 183 B9R0.45 CCCCCCCOC=O CNP0272781.0 [2,0,0,0,0,0|1,0,1]=4 184 B9R0.45 NCCCNCCCC=O CNP0100864.0 [2,0,0,0,0,0|2,0,0]=4 185 B9R0.45 OCCCCCCCCO CNP0076363.0 [2,0,0,0,0,0|1,0,1]=4 186 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [1,1,0,0,0,0|0,0,1]=3 187 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [1,1,0,0,0,0|0,0,1]=3 188 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [1,1,0,0,0,0|1,0,1]=4 189 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [1,1,0,0,0,0|1,0,1]=4 190 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [1,1,0,0,0,0|0,0,1]=3 191 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [1,1,0,0,0,0|0,0,2]=4 192 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [1,1,0,0,0,0|0,0,1]=3 193 B11R0.30 N=C(N)NCCCCCC(=O)O CNP0526044.0 [1,1,0,0,0,0|2,0,0]=4 194 B11R0.30 NC(=O)CCCCCCC(=O)N CNP0230952.0 [1,1,0,0,0,0|2,0,0]=4 195 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [1,1,0,0,0,0|1,0,0]=3 196 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl CNP0257088.0 [1,1,0,0,0,0|2,0,0]=4 197 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [1,1,0,0,0,0|1,0,0]=3 198 B11R0.30 O=C(O)CCCNCCC(=O)O CNP0349160.0 [1,1,0,0,0,0|2,0,0]=4 199 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [1,1,0,0,0,0|1,0,0]=3 200 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [1,1,0,0,0,0|0,0,2]=4 201 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [1,1,0,0,0,0|1,0,1]=4 202 B11R0.40 C=CCCCC=CCC(=O)OC CNP0572921.0 [1,1,0,0,0,0|0,0,2]=4 203 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [1,1,0,0,0,0|0,0,2]=4 204 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [1,1,0,0,0,0|1,0,1]=4 205 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [1,1,0,0,0,0|0,0,1]=3 206 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [1,1,0,0,0,0|1,0,0]=3 207 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [1,1,0,0,0,0|1,0,1]=4 208 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [1,1,0,0,0,0|0,0,1]=3 209 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [1,1,0,0,0,0|0,0,1]=3 210 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [1,1,0,0,0,0|0,0,1]=3 211 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [1,1,0,0,0,0|0,0,1]=3 212 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [1,1,0,0,0,0|1,0,1]=4 213 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [1,1,0,0,0,0|1,0,0]=3 214 B11R0.42 NCCCNCC[C@H](N)C(=O)O CNP0485831.1 [1,1,0,0,0,0|2,0,0]=4 215 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [1,1,0,0,0,0|0,0,2]=4 216 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [1,1,0,0,0,0|0,0,1]=3 217 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [1,1,0,0,0,0|0,0,1]=3 218 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [1,1,0,0,0,0|2,0,0]=4 219 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [1,1,0,0,0,0|0,0,1]=3 220 B11R0.176 NC(=O)CCCC[C@@H](S)CCS CNP0083595.1 [1,1,0,0,0,0|2,0,0]=4 221 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [1,1,0,0,0,0|1,0,0]=3 222 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [1,1,0,0,0,0|0,0,1]=3 223 B11R0.3 C=CCCCCCCCCC=C CNP0256056.0 [1,1,0,0,0,0|1,0,0]=3 224 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [1,1,0,0,0,0|0,0,0]=2 225 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [1,1,0,0,0,0|1,0,1]=4 226 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [1,1,0,0,0,0|1,0,1]=4 227 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [1,1,0,0,0,0|0,0,1]=3 228 B11R0.3 CC=CCCCCCCC=CC CNP0508194.0 [1,1,0,0,0,0|1,0,1]=4 229 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [1,1,0,0,0,0|0,0,0]=2 230 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,1,0,0,0,0|1,0,1]=4 231 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [1,1,0,0,0,0|0,0,1]=3 232 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [1,1,0,0,0,0|1,0,1]=4 233 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [1,1,0,0,0,0|0,0,2]=4 234 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [1,1,0,0,0,0|1,0,1]=4 235 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [1,1,0,0,0,0|0,0,1]=3 236 B11R0.4 C=CCCCCCC(C)CCC CNP0085749.0 [1,1,0,0,0,0|1,0,1]=4 237 B11R0.81 C=CCCCCC(C)CCCC CNP0518967.0 [1,1,0,0,0,0|1,0,1]=4 238 B13R0.178 C[C@H](CCCCCC(=O)O)CC(=O)O CNP0139369.1 [0,2,0,0,0,0|1,0,0]=3 239 B13R0.274 CCCCCCC[C@H](O)CC(=O)OC CNP0172127.1 [0,2,0,0,0,0|0,0,2]=4 240 B13R0.333 CCCCC[C@@H](O)C[C@@H](O)CC(=O)O CNP0387353.1 [0,2,0,0,0,0|0,0,2]=4 241 B13R0.333 CCCCC[C@@H](O)C[C@H](O)CC(=O)O CNP0387353.3 [0,2,0,0,0,0|0,0,2]=4 242 B13R0.333 CCCCC[C@H](O)C[C@@H](O)CC(=O)O CNP0387353.2 [0,2,0,0,0,0|0,0,2]=4 243 B13R0.333 CCCCC[C@H](O)C[C@H](O)CC(=O)O CNP0387353.4 [0,2,0,0,0,0|0,0,2]=4 244 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [0,2,0,0,0,0|0,0,2]=4 245 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [0,2,0,0,0,0|0,0,2]=4 246 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [0,2,0,0,0,0|0,0,2]=4 247 B13R0.117 CCCC[C@H](C)CCC[C@@H](C)C(=O)O CNP0329412.1 [0,2,0,0,0,0|0,0,2]=4 248 B13R0.182 CC(C)CCCC[C@H](C)CCC(=O)O CNP0425887.1 [0,2,0,0,0,0|0,0,2]=4 249 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [0,2,0,0,0,0|0,0,2]=4 250 B13R0.188 NCSCCC(S)CCCCC(=O)O CNP0046006.0 [0,2,0,0,0,0|1,0,1]=4 251 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O CNP0212077.1 [0,2,0,0,0,0|2,0,0]=4 252 B13R0.204 CC[C@H](C)CCCCC[C@@H](C)C(=O)O CNP0108831.1 [0,2,0,0,0,0|0,0,2]=4 253 B13R0.208 CCC(C)CCCC(C)CCC(=O)O CNP0018012.0 [0,2,0,0,0,0|0,0,2]=4 254 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [0,2,0,0,0,0|0,0,2]=4 255 B13R0.1398 C=C(C)CCC[C@@H](C)CCOC(=O)C CNP0240009.1 [0,2,0,0,0,0|2,0,0]=4 256 B13R0.1398 CC(=CCCC(C)CCCC(=O)O)C CNP0536242.0 [0,2,0,0,0,0|0,0,2]=4 257 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [0,2,0,0,0,0|1,0,0]=3 258 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,2,0,0,0,0|0,0,0]=2 259 B13R0.54 C=CCCCCCCCCC[N+](=O)[O-] CNP0523430.0 [0,2,0,0,0,0|1,0,1]=4 260 B13R0.54 C=CCCCCCCCCOC(=O)C CNP0555861.0 [0,2,0,0,0,0|1,0,0]=3 261 B13R0.54 CC(=O)OCCCCCCCCC=O CNP0547492.0 [0,2,0,0,0,0|1,0,1]=4 262 B13R0.54 CC/C=C/CCCCCCC[C@H](C)O CNP0191015.1 [0,2,0,0,0,0|1,0,1]=4 263 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,2,0,0,0,0|0,0,0]=2 264 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,2,0,0,0,0|0,0,2]=4 265 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,2,0,0,0,0|0,0,2]=4 266 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,2,0,0,0,0|0,0,2]=4 267 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,2,0,0,0,0|0,0,2]=4 268 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,2,0,0,0,0|0,0,2]=4 269 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,2,0,0,0,0|0,0,2]=4 270 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,2,0,0,0,0|0,0,2]=4 271 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,2,0,0,0,0|0,0,2]=4 272 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,2,0,0,0,0|0,0,2]=4 273 B13R0.54 O=C(O)CCCCCCCC=CCO CNP0273167.0 [0,2,0,0,0,0|0,0,0]=2 274 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,2,0,0,0,0|0,0,2]=4 275 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,2,0,0,0,0|0,0,2]=4 276 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,2,0,0,0,0|0,0,1]=3 277 B13R0.147 C#CCCCCCCCCC(=O)OC CNP0522205.0 [0,2,0,0,0,0|0,0,2]=4 278 B13R0.147 C=CCCCCCCCC=C(Cl)CO CNP0160908.0 [0,2,0,0,0,0|1,0,0]=3 279 B13R0.147 C=CCCCCCCCCC(=O)NO CNP0361306.0 [0,2,0,0,0,0|0,0,0]=2 280 B13R0.147 C=CCCCCCCCCC(=O)OC CNP0148219.0 [0,2,0,0,0,0|0,0,0]=2 281 B13R0.147 CC=CCCCCCCCC(=O)OC CNP0092960.0 [0,2,0,0,0,0|0,0,0]=2 282 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,2,0,0,0,0|0,0,2]=4 283 B13R0.147 COC(=O)CCCCCCC=CC=O CNP0574092.0 [0,2,0,0,0,0|0,0,1]=3 284 B13R0.147 COC(=O)CCCCCCC=CCO CNP0286839.0 [0,2,0,0,0,0|0,0,2]=4 285 B13R0.150 C=CCCCCCCC[C@@H](O)[C@H](C)N CNP0160202.1 [0,2,0,0,0,0|1,0,1]=4 286 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [0,2,0,0,0,0|0,0,2]=4 287 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [0,2,0,0,0,0|0,0,2]=4 288 B13R0.150 CSCCCCCCCC(=O)C(=O)O CNP0352754.0 [0,2,0,0,0,0|1,0,1]=4 289 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [0,2,0,0,0,0|0,0,2]=4 290 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [0,2,0,0,0,0|0,0,2]=4 291 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [0,2,0,0,0,0|0,0,2]=4 292 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [0,2,0,0,0,0|0,0,2]=4 293 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [0,2,0,0,0,0|0,0,2]=4 294 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [0,2,0,0,0,0|0,0,2]=4 295 B13R0.179 O=C(O)C=CCCCCCCC(=O)O CNP0260900.0 [0,2,0,0,0,0|0,0,1]=3 296 B13R0.179 O=C(O)CCC=CCCCCC(=O)O CNP0138278.0 [0,2,0,0,0,0|1,0,1]=4 297 B13R0.179 O=C(O)CCCC=CCCCC(=O)O CNP0110192.0 [0,2,0,0,0,0|1,0,1]=4 298 B13R0.179 O=C(O)CCCCCCCCC(=O)O CNP0311812.0 [0,2,0,0,0,0|0,0,1]=3 299 B13R0.179 O=C(O)CCSCCSCCC(=O)O CNP0446566.0 [0,2,0,0,0,0|2,0,0]=4 300 B13R0.202 C=C[C@@H](O)CCCCCCCC(=O)O CNP0388665.1 [0,2,0,0,0,0|0,0,0]=2 301 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [0,2,0,0,0,0|0,0,2]=4 302 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [0,2,0,0,0,0|0,0,2]=4 303 B13R0.202 COC(=O)CCCCCCCC(=O)C CNP0550064.0 [0,2,0,0,0,0|0,0,1]=3 304 B13R0.202 COC(=O)CCCCCCCC(=O)O CNP0202412.0 [0,2,0,0,0,0|0,0,1]=3 305 B13R0.2 C=CCCCCCCCC(=O)OCC CNP0561434.0 [0,2,0,0,0,0|0,0,0]=2 306 B13R0.2 C=COC(=O)CCCCCCCCC CNP0137792.0 [0,2,0,0,0,0|0,0,2]=4 307 B13R0.2 CCCCCCCCCC(=O)OCC CNP0245893.0 [0,2,0,0,0,0|0,0,2]=4 308 B13R0.2 CCOC(=O)CCCCCCCC=O CNP0276438.0 [0,2,0,0,0,0|1,0,0]=3 309 B13R0.2 CCOC(=O)CCCCCCCCO CNP0242583.0 [0,2,0,0,0,0|1,0,1]=4 310 B13R0.340 CCCCCCCC[C@@H](C)C(=O)OC CNP0315114.1 [0,2,0,0,0,0|0,0,2]=4 311 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [1,0,0,1,0,0|0,0,1]=3 312 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [1,0,0,1,0,0|1,0,1]=4 313 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [1,0,0,1,0,0|0,0,1]=3 314 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [1,0,0,1,0,0|0,0,1]=3 315 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [1,0,0,1,0,0|0,0,2]=4 316 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [1,0,0,1,0,0|0,0,1]=3 317 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [1,0,0,1,0,0|2,0,0]=4 318 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [1,0,0,1,0,0|2,0,0]=4 319 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [1,0,0,1,0,0|2,0,0]=4 320 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [1,0,0,1,0,0|2,0,0]=4 321 B11R1.706 C=C(C)C1C=CCCCCC1 CNP0507387.0 [1,0,0,1,0,0|2,0,0]=4 322 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [1,0,0,1,0,0|0,0,1]=3 323 B11R1.17 CC=CCC1CCCCC1=O CNP0520836.0 [1,0,0,1,0,0|0,0,2]=4 324 B11R1.17 N#CCC[C@@H]1CCCCC1=O CNP0389654.1 [1,0,0,1,0,0|1,0,1]=4 325 B11R1.17 N#CCC[C@H]1CCCCC1=O CNP0389654.2 [1,0,0,1,0,0|1,0,1]=4 326 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [1,0,0,1,0,0|1,0,0]=3 327 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [1,0,0,1,0,0|0,0,2]=4 328 B13R1.27 C=CC/C=C/CC[C@@H]1CCC(=O)O1 CNP0295277.1 [0,1,0,1,0,0|0,0,1]=3 329 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,1,0,1,0,0|0,0,2]=4 330 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,1,0,1,0,0|0,0,2]=4 331 B13R1.55 CCCCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0218581.3 [0,1,0,1,0,0|0,0,2]=4 332 B13R1.55 CCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0218581.4 [0,1,0,1,0,0|0,0,2]=4 333 B13R1.55 CCCCC[C@H]1C[C@@H](CC(=O)O1)O CNP0218581.1 [0,1,0,1,0,0|0,0,2]=4 334 B13R1.55 CCCCC[C@H]1C[C@H](CC(=O)O1)O CNP0218581.2 [0,1,0,1,0,0|0,0,2]=4 335 B13R1.190 CCCCCCC1OC(=O)CC1C CNP0251689.0 [0,1,0,1,0,0|0,0,2]=4 336 B13R1.775 C[C@@H]1CCCCC[C@@H](CC(=O)O1)O CNP0358124.2 [0,1,0,1,0,0|0,0,2]=4 337 B13R1.775 C[C@@H]1CCCCC[C@H](CC(=O)O1)O CNP0358124.1 [0,1,0,1,0,0|0,0,2]=4 338 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [0,1,0,1,0,0|0,0,2]=4 339 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [0,1,0,1,0,0|0,0,2]=4 340 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [0,1,0,1,0,0|0,0,2]=4 341 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [0,1,0,1,0,0|0,0,2]=4 342 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [0,1,0,1,0,0|0,0,2]=4 343 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [0,1,0,1,0,0|0,0,2]=4 344 B13R1.128 CC(C)CCCCC1CCC(=O)O1 CNP0213089.0 [0,1,0,1,0,0|0,0,2]=4 345 B13R1.128 O=C(O)CCCC[C@@H]1CC[S@+](S1)[O-] CNP0527658.1 [0,1,0,1,0,0|2,0,0]=4 346 B13R1.128 O=C(O)CCCC[C@@H]1CC[S@@+](S1)[O-] CNP0527658.2 [0,1,0,1,0,0|2,0,0]=4 347 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [0,1,0,1,0,0|0,0,2]=4 348 B13R1.8394 CC1CCCCC(OC(=O)CC1)C CNP0123638.0 [0,1,0,1,0,0|0,0,2]=4 349 B13R1.3821 CC1CCCCCCC(=O)OC1C CNP0207162.0 [0,1,0,1,0,0|0,0,2]=4 350 B13R1.23 CCCCC[C@@H](O)[C@@H]1CCC(=O)O1 CNP0381718.2 [0,1,0,1,0,0|0,0,2]=4 351 B13R1.23 CCCCC[C@@H](O)[C@H]1CCC(=O)O1 CNP0381718.3 [0,1,0,1,0,0|0,0,2]=4 352 B13R1.23 CCCCC[C@H](O)[C@@H]1CCC(=O)O1 CNP0381718.1 [0,1,0,1,0,0|0,0,2]=4 353 B13R1.23 CCCCC[C@H](O)[C@H]1CCC(=O)O1 CNP0381718.4 [0,1,0,1,0,0|0,0,2]=4 354 B13R1.280 O=C(O)CCN1CCCCCC1=O CNP0398881.0 [0,1,0,1,0,0|1,0,0]=3 355 B13R1.6 CCC=CCCC1CCCC(=O)O1 CNP0119575.0 [0,1,0,1,0,0|0,0,2]=4 356 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,1,0,1,0,0|0,0,2]=4 357 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,1,0,1,0,0|0,0,2]=4 358 B13R1.167 CC(=O)CCCCC1CCCC1=O CNP0595724.0 [0,1,0,1,0,0|1,0,1]=4 359 B13R1.167 O=C(O)CCCC[C@@H]1CCS[S@+]1[O-] CNP0604779.1 [0,1,0,1,0,0|2,0,0]=4 360 B13R1.167 O=C(O)CCCC[C@@H]1CCS[S@@H+]1[O-] CNP0481153.1 [0,1,0,1,0,0|2,0,0]=4 361 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,2]=4 362 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [0,1,0,1,0,0|0,0,2]=4 363 B13R1.3688 CCCCCCC1(CCC(=O)O1)C CNP0002940.0 [0,1,0,1,0,0|0,0,2]=4 364 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 CNP0562862.1 [0,0,0,2,0,0|1,0,1]=4