0 B19R0.149 CCCCCC#CC\C=C/CCCCCCCC(=O)O C07289 [0,0,0,0,0,0|0,0,3]=3 1 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O C08459 [0,0,0,0,0,0|0,0,4]=4 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O C01530 [0,0,0,0,0,0|0,0,4]=4 3 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O C00712 [0,0,0,0,0,0|0,0,2]=2 4 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] C18601 [0,0,0,0,0,0|0,0,3]=3 5 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(N)=O C19670 [0,0,0,0,0,0|1,0,2]=3 6 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O C01712 [0,0,0,0,0,0|0,0,2]=2 7 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(=O)O C04056 [0,0,0,0,0,0|0,0,0]=0 8 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O C08367 [0,0,0,0,0,0|0,0,2]=2 9 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O C01595 [0,0,0,0,0,0|0,0,2]=2 10 B19R0.149 CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O C06426 [0,0,0,0,0,0|0,0,4]=4 11 B19R0.149 CCCC\C=C/C=C/C=C\CCCCCCCC(=O)O C08364 [0,0,0,0,0,0|0,0,2]=2 12 B19R0.149 CCCC\C=C\C=C\C=C/CCCCCCCC(=O)O C08315 [0,0,0,0,0,0|0,0,2]=2 13 B19R0.149 CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O C06427 [0,0,0,0,0,0|0,0,4]=4 14 B19R0.149 [*]C(=O)CCCCCCC\C=C/C\C=C/CCCCC C21529 [0,0,0,0,0,0|1,0,2]=3 15 B18R0.176 CCCCCCC\C=C\CCCCCCCC(=O)O C16536 [1,0,0,0,0,0|0,0,1]=2 16 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O C08365 [0,1,0,0,0,0|0,0,2]=3 17 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC C03425 [0,1,0,0,0,0|0,0,2]=3 18 B20R0.3034 [*]SC(=O)CCCCCCC\C=C/CCCCCCCC C01203 [0,1,0,0,0,0|0,1,2]=4 19 B20R0.3034 [*]SC(=O)CCCCCCC\C=C/C\C=C/CCCCC C16160 [0,1,0,0,0,0|0,1,2]=4 20 B20R0.3041 CCCC\C=C\C=C\C=C/CCCCC(=O)CCC(=O)O C08319 [0,1,0,0,0,0|0,0,3]=4 21 B20R0.17440 CCCCC\C=C/C=C/C(=O)CCCCCCCC(=O)O C14766 [0,1,0,0,0,0|0,0,1]=2 22 B20R0.17440 CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(=O)O C14767 [0,1,0,0,0,0|0,0,2]=3 23 B20R0.31940 CCCCC\C=C/C=C/O\C=C\CCCCCCC(=O)O C19827 [0,1,0,0,0,0|0,0,2]=3 24 B20R0.31940 O=C(O)CCCCCCC\C=C/CCCCCCCCO C19616 [0,1,0,0,0,0|0,0,2]=3 25 B20R0.31940 O=CCCCCCCC\C=C/CCCCCCCC(=O)O C19617 [0,1,0,0,0,0|0,0,3]=4 26 B20R0.31968 CCCCC\C=C/C\C=C/[C@H](O)CCCCCCC(=O)O C08318 [0,1,0,0,0,0|0,0,2]=3 27 B20R0.32990 CCCCCC(=O)\C=C\C=C/CCCCCCCC(=O)O C14765 [0,1,0,0,0,0|0,0,1]=2 28 B20R0.32990 CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(=O)O C14762 [0,1,0,0,0,0|0,0,0]=1 29 B20R0.32990 CC\C=C/C[C@H](O)\C=C\C=C/CCCCCCCC(=O)O C16316 [0,1,0,0,0,0|0,0,2]=3 30 B17R0.43 CCCCCCCCCCCCCCCC(=O)O C00249 [2,0,0,0,0,0|0,0,2]=4 31 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O C08362 [2,0,0,0,0,0|0,0,0]=2 32 B19R0.2958 CCCCC[C@H](O)\C=C\C=C\C\C=C/CCCC(=O)O C20388 [1,1,0,0,0,0|0,0,2]=4 33 B21R0.37067 CCCCCC(O)C(O)C\C=C/CCCCCCCC(=O)O C14829 [0,2,0,0,0,0|0,0,2]=4 34 B21R0.32984 CCCCC\C=C/C\C=C/[C@H](O)CC[C@@H](O)CCCC(=O)O C20186 [0,2,0,0,0,0|0,0,2]=4 35 B21R0.18300 CCCCCCCC\C=C/[C@H](O)[C@H](O)CCCCCC(=O)O C07355 [0,2,0,0,0,0|0,0,2]=4 36 B21R0.18300 CCCCC\C=C/C\C=C/[C@H](O)[C@@H](O)CCCCCC(=O)O C07354 [0,2,0,0,0,0|0,0,2]=4 37 B21R0.31992 CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)OO C14827 [0,2,0,0,0,0|0,0,2]=4 38 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(=O)O C16526 [0,2,0,0,0,0|0,0,2]=4 39 B21R0.81 CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O C16525 [0,2,0,0,0,0|0,0,2]=4 40 B21R0.81 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O C03242 [0,2,0,0,0,0|0,0,2]=4 41 B21R0.18861 CCCCC\C=C/C\C=C/[C@@H](CCCCCCC(=O)O)OO C14831 [0,2,0,0,0,0|0,0,2]=4 42 B21R0.32153 CCCCC\C=C/[C@@H](\C=C/CCCCCCCC(=O)O)OO C07338 [0,2,0,0,0,0|0,0,2]=4 43 B21R0.36906 CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO C04717 [0,2,0,0,0,0|0,0,0]=2 44 B21R0.36906 CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO C04785 [0,2,0,0,0,0|0,0,2]=4 45 B21R1.17805 CCCCCCCCC1=C(CCCCCCCC(=O)O)C1 C08366 [0,1,0,1,0,0|0,0,2]=4 46 B21R1.18284 CCCCCCC1=CC=C(CCCCCCCC(=O)O)O1 C13798 [0,1,0,1,0,0|0,0,0]=2 47 B21R1.633376 CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(=O)O C08368 [0,1,0,1,0,0|0,0,2]=4 48 B21R1.633376 CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(=O)O C14826 [0,1,0,1,0,0|0,0,2]=4 49 B21R1.633376 CCCCC[C@H]1O\C1=C\C=C/CCCCCCCC(=O)O C04594 [0,1,0,1,0,0|0,0,0]=2 50 B21R1.633376 CC\C=C/C[C@@H]1O\C1=C/C=C\CCCCCCCC(=O)O C04672 [0,1,0,1,0,0|0,0,2]=4