0 B15R0.164 C(CCCCCCO)CCCCCC(=O)O CHEBI:79166 [0,0,0,0,0,0|1,0,2]=3 1 B15R0.164 CCCCCCCCCCCCCC(=O)O CHEBI:28875 [0,0,0,0,0,0|0,0,2]=2 2 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CHEBI:30807 [0,0,0,0,0,0|0,0,3]=3 3 B15R0.164 CCCCCCCCCCC\C=C/C(=O)O CHEBI:87147 [0,0,0,0,0,0|0,0,4]=4 4 B15R0.164 CCCCCCCCCCC\C=C\C(=O)O CHEBI:37271 [0,0,0,0,0,0|0,0,4]=4 5 B15R0.164 CCCCCCCCCCC\C=C\C(=O)O CHEBI:61366 [0,0,0,0,0,0|0,0,4]=4 6 B15R0.164 CCCCCCCC\C=C/C=C/CC(=O)O CHEBI:72000 [0,0,0,0,0,0|0,0,2]=2 7 B15R0.164 CCCCCCCC\C=C/C=C/CC(=O)[O-] CHEBI:71590 [0,0,0,0,0,0|0,0,3]=3 8 B15R0.164 CCCCCCCC\C=C/CCCC(=O)O CHEBI:70716 [0,0,0,0,0,0|0,0,2]=2 9 B15R0.164 CCCCCC\C=C/CCCCCC(=O)O CHEBI:53206 [0,0,0,0,0,0|0,0,4]=4 10 B15R0.164 CCCCCC\C=C\CCCCCC(=O)O CHEBI:61367 [0,0,0,0,0,0|0,0,4]=4 11 B15R0.164 CCCCC\C=C/C\C=C/CCCC(=O)O CHEBI:70719 [0,0,0,0,0,0|0,0,4]=4 12 B15R0.164 CCCC\C=C/CCCCCCCC(=O)O CHEBI:27781 [0,0,0,0,0,0|0,0,4]=4 13 B15R0.164 CCCC\C=C\CCCCCCCC(=O)O CHEBI:131381 [0,0,0,0,0,0|0,0,4]=4 14 B15R0.164 CC\C=C/CCCCCCCCCC(=O)O CHEBI:37273 [0,0,0,0,0,0|0,0,4]=4 15 B15R0.164 CC\C=C\CCCCCCCCCC(=O)O CHEBI:37274 [0,0,0,0,0,0|0,0,4]=4 16 B15R0.164 CC\C=C\CCCCCCCCCC(=O)O CHEBI:38331 [0,0,0,0,0,0|0,0,4]=4 17 B14R0.392 CCCCCCCCCCCCCC=C CHEBI:77506 [1,0,0,0,0,0|1,0,2]=4 18 B14R0.392 CCCCCCCCCCCCCC=O CHEBI:84067 [1,0,0,0,0,0|0,0,2]=3 19 B14R0.392 CCCCCCCCCCCCCCO CHEBI:77417 [1,0,0,0,0,0|0,0,3]=4 20 B14R0.394 C(CCCCCC(=O)O)CCCCCBr CHEBI:49519 [1,0,0,0,0,0|1,0,1]=3 21 B14R0.394 C(CCCCCC(=O)O)CCCCCN CHEBI:42025 [1,0,0,0,0,0|1,0,1]=3 22 B14R0.394 C(CCCCCC(=O)O)CCCCCO CHEBI:39567 [1,0,0,0,0,0|1,0,1]=3 23 B14R0.394 C(CCCCCC(=O)[O-])CCCCCO CHEBI:36204 [1,0,0,0,0,0|1,0,2]=4 24 B14R0.394 C(CCCC\C=C\C(=O)O)CCCCO CHEBI:79164 [1,0,0,0,0,0|1,0,2]=4 25 B14R0.394 CCCCCCCCCCCCC(=O)O CHEBI:45919 [1,0,0,0,0,0|0,0,1]=2 26 B14R0.394 CCCCCCCCCCCCC(=O)[O-] CHEBI:125832 [1,0,0,0,0,0|0,0,2]=3 27 B14R0.394 CCCCCCCCCCCCC(C)O CHEBI:84284 [1,0,0,0,0,0|1,0,2]=4 28 B14R0.394 CCCCCCC\C=C\C=C\CC(=O)O CHEBI:73719 [1,0,0,0,0,0|0,0,2]=3 29 B16R0.131 CCCCC(C)CCCCCCCCC(=O)O CHEBI:132910 [0,1,0,0,0,0|0,0,2]=3 30 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O CHEBI:39251 [0,1,0,0,0,0|0,0,2]=3 31 B16R0.221 [*]SC(=O)CCCCCCCCCCCCC CHEBI:50651 [0,1,0,0,0,0|0,1,2]=4 32 B16R0.224 CCCCCCCCCCCCC(C(=O)O)O CHEBI:59270 [0,1,0,0,0,0|0,0,2]=3 33 B16R0.224 CCCCCCCCCCCCC(C(=O)[O-])O CHEBI:84335 [0,1,0,0,0,0|0,0,3]=4 34 B16R0.224 CCCCCCCCCCCC[C@@H](C(=O)O)O CHEBI:85937 [0,1,0,0,0,0|0,0,2]=3 35 B16R0.224 CCCCCCCCCCCC[C@@H](C(=O)[O-])O CHEBI:85637 [0,1,0,0,0,0|0,0,3]=4 36 B16R0.224 CCCCCCCCCCCC[C@H](C(=O)O)O CHEBI:85934 [0,1,0,0,0,0|0,0,2]=3 37 B16R0.224 CCCCCCCCCCCC[C@H](C(=O)[O-])O CHEBI:85636 [0,1,0,0,0,0|0,0,3]=4 38 B16R0.274 C(CCCCCCC(=O)O)CCCCCCO CHEBI:77168 [0,1,0,0,0,0|0,0,2]=3 39 B16R0.274 C(CCCCCCC(=O)[O-])CCCCCCO CHEBI:77033 [0,1,0,0,0,0|0,0,3]=4 40 B16R0.274 CCCCCCCCCCCCCCC(=O)O CHEBI:42504 [0,1,0,0,0,0|0,0,2]=3 41 B16R0.274 CCCCCCCCCCCCCCC(=O)[O-] CHEBI:78795 [0,1,0,0,0,0|0,0,3]=4 42 B16R0.274 CCCCCCCCCCCC\C=C\C(=O)O CHEBI:78992 [0,1,0,0,0,0|0,0,3]=4 43 B16R0.274 CCCCCCCCCCCC\C=C\C(=O)O CHEBI:79000 [0,1,0,0,0,0|0,0,3]=4 44 B16R0.274 CCCC\C=C/CCCCCCCCC(=O)O CHEBI:75089 [0,1,0,0,0,0|0,0,3]=4 45 B16R0.274 CCCC\C=C\CCCCCCCCC(=O)O CHEBI:75087 [0,1,0,0,0,0|0,0,3]=4 46 B16R0.274 CCCC\C=C\CCCCCCCCC(=O)O CHEBI:75090 [0,1,0,0,0,0|0,0,3]=4 47 B16R0.302 C(CCCCCO)CCCC[C@H](CC(=O)O)O CHEBI:79279 [0,1,0,0,0,0|1,0,2]=4 48 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)O CHEBI:37270 [0,1,0,0,0,0|0,0,3]=4 49 B16R0.302 CCCCCCCCCCCC(CC(=O)O)O CHEBI:85148 [0,1,0,0,0,0|0,0,2]=3 50 B16R0.302 CCCCCCCCCCCC(CC(=O)[O-])O CHEBI:84197 [0,1,0,0,0,0|0,0,3]=4 51 B16R0.302 CCCCCCCCCCC[C@@H](CC(=O)O)O CHEBI:37374 [0,1,0,0,0,0|0,0,2]=3 52 B16R0.302 CCCCCCCCCCC[C@H](CC(=O)O)O CHEBI:42539 [0,1,0,0,0,0|0,0,2]=3 53 B16R0.302 CCCCCCCCCCC[C@H](CC(=O)[O-])O CHEBI:85635 [0,1,0,0,0,0|0,0,3]=4 54 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O CHEBI:74438 [0,1,0,0,0,0|1,0,1]=3 55 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CHEBI:39250 [0,1,0,0,0,0|0,0,2]=3 56 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)[O-] CHEBI:70826 [0,1,0,0,0,0|0,0,3]=4 57 B16R0.3288 CC(CCCCCCCCCCCC(=O)O)O CHEBI:132473 [0,1,0,0,0,0|0,0,2]=3 58 B16R0.3288 CC(CCCCCCCCCCCC(=O)[O-])O CHEBI:132031 [0,1,0,0,0,0|0,0,3]=4 59 B16R0.3288 C[C@H](CCCCCCCCCCCC(=O)O)O CHEBI:78989 [0,1,0,0,0,0|0,0,2]=3 60 B13R0.336 CCCCCCCCCCCCC=C CHEBI:77505 [2,0,0,0,0,0|1,0,1]=4 61 B13R0.54 C(CCCCCO)CCCCC(=O)O CHEBI:79126 [2,0,0,0,0,0|1,0,0]=3 62 B13R0.54 C(CCCCO)CCC\C=C\C(=O)O CHEBI:79123 [2,0,0,0,0,0|1,0,0]=3 63 B13R0.54 C=CCCCCCCCCCC(=O)O CHEBI:38381 [2,0,0,0,0,0|0,0,2]=4 64 B13R0.54 CCCCCCCCCCCC(=O)C CHEBI:77928 [2,0,0,0,0,0|1,0,0]=3 65 B13R0.54 CCCCCCCCCCCC(=O)N CHEBI:34726 [2,0,0,0,0,0|1,0,0]=3 66 B13R0.54 CCCCCCCCCCCC(=O)O CHEBI:30805 [2,0,0,0,0,0|0,0,0]=2 67 B13R0.54 CCCCCCCCCCCC(=O)[O-] CHEBI:131839 [2,0,0,0,0,0|0,0,1]=3 68 B13R0.54 CCCCCCCCCCCC(=O)[O-] CHEBI:18262 [2,0,0,0,0,0|0,0,1]=3 69 B13R0.54 CCCCCCCCC\C=C/C(=O)O CHEBI:38372 [2,0,0,0,0,0|0,0,0]=2 70 B13R0.54 CCCCCCCCC\C=C\C(=O)O CHEBI:37162 [2,0,0,0,0,0|0,0,0]=2 71 B13R0.54 CCCCCCCCC\C=C\C(=O)O CHEBI:38371 [2,0,0,0,0,0|0,0,0]=2 72 B13R0.54 CCCCCCCCC\C=C\C(=O)[O-] CHEBI:84274 [2,0,0,0,0,0|0,0,1]=3 73 B13R0.54 CCCCCCCC\C=C/CC(=O)O CHEBI:37207 [2,0,0,0,0,0|0,0,0]=2 74 B13R0.54 CCCCCCCC\C=C\CC(=O)O CHEBI:38373 [2,0,0,0,0,0|0,0,0]=2 75 B13R0.54 CCCCCCCC\C=C\CC(=O)O CHEBI:38374 [2,0,0,0,0,0|0,0,0]=2 76 B13R0.54 CCCCCC\C=C/CCCC(=O)O CHEBI:86595 [2,0,0,0,0,0|0,0,2]=4 77 B13R0.54 CCCCCC\C=C\CCCC(=O)O CHEBI:83044 [2,0,0,0,0,0|0,0,2]=4 78 B13R0.54 CCCCC\C=C/CC\C=C\C(=O)O CHEBI:37212 [2,0,0,0,0,0|0,0,2]=4 79 B13R0.54 CCCCC\C=C/C\C=C/CC(=O)O CHEBI:37210 [2,0,0,0,0,0|0,0,2]=4 80 B13R0.54 CC\C=C/CCCCCCCC(=O)O CHEBI:38377 [2,0,0,0,0,0|0,0,2]=4 81 B13R0.54 CC\C=C\CCCCCCCC(=O)O CHEBI:38375 [2,0,0,0,0,0|0,0,2]=4 82 B13R0.54 CC\C=C\CCCCCCCC(=O)O CHEBI:38376 [2,0,0,0,0,0|0,0,2]=4 83 B13R0.54 C\C=C/CCCCCCCCC(=O)O CHEBI:38380 [2,0,0,0,0,0|0,0,2]=4 84 B13R0.54 C\C=C\CCCCCCCCC(=O)O CHEBI:38378 [2,0,0,0,0,0|0,0,2]=4 85 B13R0.54 C\C=C\CCCCCCCCC(=O)O CHEBI:38379 [2,0,0,0,0,0|0,0,2]=4 86 B15R0.70 CCCCCCCCCCCCCCC=O CHEBI:17302 [1,1,0,0,0,0|0,0,2]=4 87 B15R0.69 C(CCCCC(CC(=O)O)O)CCCCO CHEBI:76934 [1,1,0,0,0,0|1,0,1]=4 88 B15R0.69 C(CCCC[C@H](CC(=O)O)O)CCCCO CHEBI:79278 [1,1,0,0,0,0|1,0,1]=4 89 B15R0.84 CCCCCCCCCCCC(C(=O)O)O CHEBI:84852 [1,1,0,0,0,0|0,0,1]=3 90 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O CHEBI:74430 [1,1,0,0,0,0|1,0,0]=3 91 B15R0.222 CC(C)CCCCCCCCCCC(=O)O CHEBI:43722 [1,1,0,0,0,0|0,0,1]=3 92 B15R0.222 CC(C)CCCCCCCCCCC(=O)[O-] CHEBI:84193 [1,1,0,0,0,0|0,0,2]=4 93 B15R0.222 C[C@H](CCCCCCCCCCC(=O)O)O CHEBI:78980 [1,1,0,0,0,0|0,0,1]=3 94 B15R0.222 C[C@H](CCCCCCCC\C=C\C(=O)O)O CHEBI:78979 [1,1,0,0,0,0|0,0,2]=4 95 B17R0.177 C[C@H](CCCCCCCCC[C@H](CC(=O)O)O)O CHEBI:79245 [0,2,0,0,0,0|0,0,2]=4 96 B17R0.256 CCCC(C)CCCCCCCCCCC(=O)O CHEBI:131411 [0,2,0,0,0,0|0,0,2]=4 97 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CHEBI:84849 [0,2,0,0,0,0|0,0,2]=4 98 B17R0.14245 CCCCCCCCCCCCCC(C(=O)O)O CHEBI:84853 [0,2,0,0,0,0|0,0,2]=4 99 B17R0.14363 CCC(C)CCCCCCCCCCCC(=O)O CHEBI:131414 [0,2,0,0,0,0|0,0,2]=4 100 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O CHEBI:79169 [0,2,0,0,0,0|0,0,2]=4 101 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CHEBI:15756 [0,2,0,0,0,0|0,0,2]=4 102 B17R0.43 CCCCCCCCCCCCC\C=C\C(=O)O CHEBI:37252 [0,2,0,0,0,0|0,0,2]=4 103 B17R0.43 CCCCCCCCCCC\C=C/CCC(=O)O CHEBI:86140 [0,2,0,0,0,0|0,0,0]=2 104 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O CHEBI:76244 [0,2,0,0,0,0|0,0,0]=2 105 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)[O-] CHEBI:76197 [0,2,0,0,0,0|0,0,1]=3 106 B17R0.43 CCCCCCCC\C=C/CCCCCC(=O)O CHEBI:35465 [0,2,0,0,0,0|0,0,2]=4 107 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O CHEBI:28716 [0,2,0,0,0,0|0,0,2]=4 108 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O CHEBI:59265 [0,2,0,0,0,0|0,0,2]=4 109 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O CHEBI:72004 [0,2,0,0,0,0|0,0,2]=4 110 B17R0.43 CCCC\C=C/CCCCCCCCCC(=O)O CHEBI:35464 [0,2,0,0,0,0|0,0,2]=4 111 B17R0.116 C(CCCCC[C@H](CC(=O)O)O)CCCCCO CHEBI:79281 [0,2,0,0,0,0|0,0,2]=4 112 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O CHEBI:74441 [0,2,0,0,0,0|1,0,1]=4 113 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O CHEBI:84890 [0,2,0,0,0,0|0,0,2]=4 114 B17R0.1713 C[C@H](CCCCCCCCCCCCC(=O)O)O CHEBI:78996 [0,2,0,0,0,0|0,0,2]=4 115 B17R1.9279 C1CCC(C1)CCCCCCCCCC(=O)O CHEBI:87377 [0,1,0,1,0,0|0,0,2]=4