0 B11R0.148 CCCCCCCCCC(=O)O C01571 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 CCCCCCCCCC(C)=O C01875 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 O=CCCCCCCCC(=O)O C16322 [0,0,0,0,0,0|1,0,3]=4 3 B10R0.4 CCCCCCCCC(=O)O C01601 [1,0,0,0,0,0|0,0,1]=2 4 B10R0.71 CCCCCCCCCC=O C12307 [1,0,0,0,0,0|0,0,2]=3 5 B10R0.71 CCCCCCCCCCO C01633 [1,0,0,0,0,0|0,0,3]=4 6 B10R0.71 CSCCCCCC\C=N\O C17249 [1,0,0,0,0,0|2,0,1]=4 7 B12R0.4 CCCCCCCC(=O)CC(=O)O C20714 [0,1,0,0,0,0|0,0,1]=2 8 B12R0.234 C=CCCCCCCCCC(=O)O C13910 [0,1,0,0,0,0|0,0,3]=4 9 B12R0.234 CCCCCCCCCCC(=O)O C17715 [0,1,0,0,0,0|0,0,2]=3 10 B12R0.234 O=C(O)CCCCCCCCCO C02774 [0,1,0,0,0,0|0,0,2]=3 11 B12R0.234 O=CCCCCCCCCC(=O)O C02217 [0,1,0,0,0,0|0,0,3]=4 12 B12R0.248 CCCCCCCCCC(=O)NO C12889 [0,1,0,0,0,0|0,0,2]=3 13 B12R0.248 [*]SC(=O)CCCCCCCCC C05755 [0,1,0,0,0,0|0,1,2]=4 14 B12R0.248 [*]SC(=O)C\C=C/CCCCCC C04180 [0,1,0,0,0,0|0,1,2]=4 15 B12R0.248 [*]SC(=O)\C=C\CCCCCCC C05754 [0,1,0,0,0,0|0,1,0]=2 16 B12R0.251 CCCCCCCCC(=O)C(=O)O C13945 [0,1,0,0,0,0|0,0,1]=2 17 B12R0.251 CSCCCCCCC(=O)C(=O)O C17224 [0,1,0,0,0,0|1,0,1]=3 18 B12R0.251 CSCCCCCC[C@H](N)C(=O)O C17225 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.2 CCCCCCCC(=O)O C06423 [2,0,0,0,0,0|0,0,0]=2 20 B9R0.2 O=C(O)CCCCCCS C16593 [2,0,0,0,0,0|1,0,0]=3 21 B9R0.2 O=CCCCCCC(=O)O C16590 [2,0,0,0,0,0|1,0,1]=4 22 B9R0.45 CCCCCCCCCO C14696 [2,0,0,0,0,0|0,0,2]=4 23 B9R0.45 CC\C=C/CC\C=C\C=O C08499 [2,0,0,0,0,0|0,0,2]=4 24 B9R0.45 CSCCCCC\C=N\O C17246 [2,0,0,0,0,0|2,0,0]=4 25 B11R0.42 CSCCCCCC(=O)C(=O)O C17220 [1,1,0,0,0,0|1,0,0]=3 26 B11R0.42 CSCCCCC[C@H](N)C(=O)O C17221 [1,1,0,0,0,0|1,0,1]=4 27 B11R0.176 O=C(O)CCCCC(S)CCS C02147 [1,1,0,0,0,0|1,0,1]=4 28 B11R0.3 CSCCCCCCC\C=N\O C17251 [1,1,0,0,0,0|1,0,1]=4 29 B13R0.274 [*]SC(=O)CC(=O)CCCCCCC C05753 [0,2,0,0,0,0|0,1,1]=4 30 B13R0.54 CCCCCCCCCCCC(=O)O C02679 [0,2,0,0,0,0|0,0,2]=4 31 B13R0.54 CCCCCCCCC\C=C/C(=O)O C21202 [0,2,0,0,0,0|0,0,0]=2 32 B13R0.54 NCCCCCCCCCCC(=O)O C19325 [0,2,0,0,0,0|0,0,2]=4 33 B13R0.150 CSCCCCCCCC(=O)C(=O)O C17228 [0,2,0,0,0,0|0,0,1]=3 34 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O C17229 [0,2,0,0,0,0|0,0,2]=4 35 B13R0.2 CCCCC\C=C/C=C/C(=O)OCC C08486 [0,2,0,0,0,0|0,0,2]=4 36 B11R1.27 CCCCC[C@H]1CCC(=O)O1 C08501 [1,0,0,1,0,0|0,0,1]=3 37 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 C08571 [0,1,0,1,0,0|0,0,2]=4 38 B13R1.279 O=C1CCCCCCCCCCO1 C13823 [0,1,0,1,0,0|0,0,2]=4 39 B13R1.9 CCCCCCC1=CC=C(O)C=C1 C14465 [0,1,0,1,0,0|1,0,1]=4 40 B13R2.13710 CC(=O)C1=CCCC2CCC1N2 C10841 [0,0,0,2,0,0|2,0,0]=4