0 B11R0.148 CCCCCCCCCC(=O)O M18432 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.148 CCCCCCCCCC(=O)[O-] M27380 [0,0,0,0,0,0|0,0,1]=1 2 B11R0.148 CCCCCCCCCC(C)=O M21330 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.148 CCCCCCCCCC(C)O M27522 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.148 CCCCCCCCOC(C)=O M20318 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.148 CCCCCCC\C=C/C(=O)O M29617 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.148 CCCCCCC\C=C\C(=O)O M20740 [0,0,0,0,0,0|0,0,2]=2 7 B10R0.4 CCCCCCCCC(=O)O M19549 [1,0,0,0,0,0|0,0,0]=1 8 B10R0.4 NCCCCCCCC(=O)O M21406 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.71 CCCCCCCCCC=O M21351 [1,0,0,0,0,0|0,0,0]=1 10 B12R0.4 CCCCCCCC(O)CC(=O)O M20794 [0,1,0,0,0,0|0,0,0]=1 11 B12R0.234 C=CCCCCCCCCC(=O)O M10437 [0,1,0,0,0,0|0,0,1]=2 12 B12R0.234 C=CCCCCCCCCC(=O)O M15023 [0,1,0,0,0,0|0,0,1]=2 13 B12R0.234 CC(=O)NCCCCNCCCN M27096 [0,1,0,0,0,0|3,0,0]=4 14 B12R0.234 CCCCCCCCCCC(=O)O M20011 [0,1,0,0,0,0|0,0,0]=1 15 B12R0.234 CCCCCCCC\C=C\C(=O)O M27109 [0,1,0,0,0,0|0,0,1]=2 16 B12R0.234 O=C(O)CCCCCCCCCO M18111 [0,1,0,0,0,0|0,0,0]=1 17 B12R0.234 O=C(O)\C=C\CCCCCCCO M18005 [0,1,0,0,0,0|0,0,2]=3 18 B12R0.251 CCCCCCCC[C@H](O)C(=O)O M27943 [0,1,0,0,0,0|0,0,0]=1 19 B12R0.268 O=C(O)CCCCCCCC(=O)O M10969 [0,1,0,0,0,0|1,0,1]=3 20 B12R0.277 CCOC(=O)CCCCCC(=O)O M26986 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.7 CCCCCCC1CCC(=O)O1 M21350 [0,0,0,1,0,0|0,0,0]=1 22 B12R1.28 CCCCCC1CCCC(=O)O1 M28334 [0,0,0,1,0,0|0,0,0]=1 23 B12R1.255 NC(=O)CCCCC1CCSS1 M14045 [0,0,0,1,0,0|3,0,0]=4 24 B12R1.255 O=C(O)CCCCC1CCSS1 M10312 [0,0,0,1,0,0|2,0,0]=3 25 B12R1.255 O=C(O)CCCCC1CCSS1 M18917 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 M10720 [0,0,0,1,0,0|2,0,0]=3 27 B9R0.2 CCCCCCCC(=O)O M19558 [2,0,0,0,0,0|0,0,0]=2 28 B9R0.2 CCCCCNCC(N)=O M28420 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.2 CCCCC\C=C\C(=O)O M20010 [2,0,0,0,0,0|0,0,2]=4 30 B11R0.30 CC(=O)NCCCCCC(=O)O M15077 [1,1,0,0,0,0|1,0,1]=4 31 B11R0.30 O=C(O)CCCCCCC(=O)O M19610 [1,1,0,0,0,0|1,0,1]=4 32 B11R0.176 O=C(O)CCCCC(S)CCS M27379 [1,1,0,0,0,0|1,0,0]=3 33 B11R0.3 C=CCCCCCCCCCO M27520 [1,1,0,0,0,0|1,0,0]=3 34 B11R0.3 CCCCCCCCCCCO M20876 [1,1,0,0,0,0|0,0,1]=3 35 B13R0.54 CCCCCCCCCCCC(=O)O M18014 [0,2,0,0,0,0|0,0,0]=2 36 B13R0.54 CCCCCCCCCCCC(C)=O M28719 [0,2,0,0,0,0|1,0,0]=3 37 B13R0.54 CCCCCC\C=C/CCCC(=O)O M21240 [0,2,0,0,0,0|0,0,0]=2 38 B13R0.54 NCCCCCCCCCCC(=O)O M26872 [0,2,0,0,0,0|0,0,0]=2 39 B13R0.54 O=C(O)COCCOCCOCCO M27009 [0,2,0,0,0,0|2,0,0]=4 40 B13R0.147 C=CCCCCCCCCC(=O)OC M23314 [0,2,0,0,0,0|0,0,1]=3 41 B13R0.147 CCCCCCCCCCC(=O)OC M28722 [0,2,0,0,0,0|0,0,0]=2 42 B13R0.179 O=C(O)CCCCCCCCC(=O)O M17820 [0,2,0,0,0,0|0,0,1]=3 43 B11R1.27 CCCCCC1CCC(=O)O1 M23254 [1,0,0,1,0,0|0,0,0]=2 44 B13R1.27 CCCCCCCC1CCC(=O)O1 M23259 [0,1,0,1,0,0|0,0,0]=2