0 B11R0.148 C=CCCCCCCCC(=O)O N12000 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.148 CCCCCCCCCC(=O)O D70225 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [0,0,0,0,0,0|0,0,3]=3 3 B11R0.148 CCCCCCCCCC(C)=O F17694 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.148 CCCCCCCCCC(N)=O D89393 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.148 CCCCCCCCC[C@H](C)O D92751 [0,0,0,0,0,0|1,0,3]=4 7 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [0,0,0,0,0,0|0,0,0]=0 9 B11R0.148 CCCCOCCOCC(=O)O W16397 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 NCCOCCOCCC(=O)O H11015 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.148 O=C(O)CCCCCCCCBr 54506 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.148 O=C(O)CCCCCCCCO 29995 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.4 C=CCCCCCCC(=O)O I11998 [1,0,0,0,0,0|0,0,3]=4 14 B10R0.4 CCCCCCCCB(O)O 33153 [1,0,0,0,0,0|1,0,2]=4 15 B10R0.4 CCCCCCCCC(=O)Cl D91690 [1,0,0,0,0,0|1,0,1]=3 16 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [1,0,0,0,0,0|0,0,2]=3 17 B10R0.4 CCCCCCCCC(C)=O D89897 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.4 CCCCCCCOC(=O)Cl 62102 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.4 NCCCCCCCC(=O)O 52148 [1,0,0,0,0,0|1,0,1]=3 20 B10R0.4 O=C(O)CCCCCCCBr C10414 [1,0,0,0,0,0|1,0,1]=3 21 B10R0.4 O=CCCCCCCC(=O)O D80547 [1,0,0,0,0,0|1,0,2]=4 22 B10R0.71 CCCCCCCCNC=O D91867 [1,0,0,0,0,0|1,0,2]=4 23 B10R0.71 CCCCC\C=C\C=C\C=O AC8162 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.71 CCCCC\C=C\CCCO D90033 [1,0,0,0,0,0|0,0,1]=2 25 B12R0.234 C#CCCCCCCCCC(=O)O AT18751 [0,1,0,0,0,0|0,0,3]=4 26 B12R0.234 C=CCCCCCCCCC(=O)O P19683 [0,1,0,0,0,0|0,0,3]=4 27 B12R0.234 CCCCCCCCCCC(=O)Cl D92750 [0,1,0,0,0,0|1,0,2]=4 28 B12R0.234 CCCCCCCCCCC(=O)O P19940 [0,1,0,0,0,0|0,0,2]=3 29 B12R0.234 CCCCCCCCCCC(C)=O D89937 [0,1,0,0,0,0|1,0,2]=4 30 B12R0.234 CCCCCCCCCOC(=O)Cl D88620 [0,1,0,0,0,0|1,0,2]=4 31 B12R0.234 CCCCCCCCOCC(=O)O D82573 [0,1,0,0,0,0|0,0,2]=3 32 B12R0.234 CCCCCCCC\C=C\C(=O)O 22839 [0,1,0,0,0,0|0,0,3]=4 33 B12R0.234 NCCCCCCCCCC(=O)O C72238 [0,1,0,0,0,0|0,0,2]=3 34 B12R0.234 O=C(O)CCCCCCCCCBr AC1279 [0,1,0,0,0,0|0,0,2]=3 35 B12R0.234 O=C(O)CCCCCCCCCO 36747 [0,1,0,0,0,0|0,0,2]=3 36 B12R0.248 COC(=O)CCCCCCCCO S10650 [0,1,0,0,0,0|1,0,2]=4 37 B12R0.251 CCCCCCCC[C@H](N)C(=O)O 73329 [0,1,0,0,0,0|0,0,2]=3 38 B12R0.255 O=C(O)CCC(=O)OCCCCO D93505 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 D70097 [0,0,0,1,0,0|0,0,2]=3 40 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [0,0,0,1,0,0|0,0,2]=3 41 B12R1.252 O=C(O)CCCC1CCCCC1 F16379 [0,0,0,1,0,0|0,0,2]=3 42 B12R1.252 O=C(O)CCCC1CCNCC1 65108 [0,0,0,1,0,0|1,0,2]=4 43 B9R0.2 CCCCCCCB(O)O F30119 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.2 CCCCCCCC(N)=O D91840 [2,0,0,0,0,0|1,0,0]=3 45 B9R0.2 NCCCCCCC(=O)O 33797 [2,0,0,0,0,0|1,0,0]=3 46 B9R0.2 NCCCCCCC(=O)O F11866 [2,0,0,0,0,0|1,0,0]=3 47 B9R0.2 O=C(O)CCCCCCBr F11868 [2,0,0,0,0,0|1,0,0]=3 48 B9R0.2 O=C(O)CCCCCCO O11656 [2,0,0,0,0,0|1,0,0]=3 49 B9R0.45 CCCCCCCCCO D70513 [2,0,0,0,0,0|0,0,2]=4 50 B9R0.45 CCCCCC\C=C/CO D91736 [2,0,0,0,0,0|0,0,2]=4 51 B9R0.45 CCCCCC\C=C\C=O D91718 [2,0,0,0,0,0|0,0,2]=4 52 B9R0.45 CCCC\C=C\C=C\C=O D91726 [2,0,0,0,0,0|0,0,2]=4 53 B11R0.40 CCCCCCCCC(=O)OC D91668 [1,1,0,0,0,0|0,0,1]=3 54 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [1,1,0,0,0,0|0,0,2]=4 55 B11R0.46 CCCCCN(C)CCC(=O)O D81790 [1,1,0,0,0,0|1,0,0]=3 56 B11R0.46 CCCCC[C@H](C)CCC(=O)O D70230 [1,1,0,0,0,0|0,0,1]=3 57 B11R0.46 CCCCOC(=O)CCC(C)=O D78070 [1,1,0,0,0,0|2,0,0]=4 58 B11R0.159 CCCCCCCCP(=O)(O)O H10451 [1,1,0,0,0,0|1,0,1]=4 59 B11R0.3 CCCCCCCCCCC=O H10685 [1,1,0,0,0,0|0,0,2]=4 60 B13R0.54 NCCCCCCCCCCC(=O)O F14580 [0,2,0,0,0,0|0,0,2]=4 61 B13R0.54 O=C(O)CCCCCCCCCCBr 75165 [0,2,0,0,0,0|0,0,2]=4 62 B13R0.54 O=C(O)CCCCCCCCCCS F11363 [0,2,0,0,0,0|0,0,2]=4 63 B13R0.147 CCCCCCCCCCC(=O)OC 78282 [0,2,0,0,0,0|0,0,2]=4 64 B13R0.2 CCCCCCCCCC(=O)OCCl D93248 [0,2,0,0,0,0|0,0,2]=4 65 B11R1.24 CCCC[C@H]1CCCC(=O)O1 D91705 [1,0,0,1,0,0|0,0,1]=3 66 B11R1.27 CCCCC[C@H]1CCC(=O)O1 D70273 [1,0,0,1,0,0|0,0,1]=3 67 B11R1.91 O=C(O)CCC1CCCCC1 H10698 [1,0,0,1,0,0|0,0,1]=3 68 B11R1.91 O=C(O)CCC1CCNCC1 82923 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.91 O=C(O)CCC1CCNCC1 82924 [1,0,0,1,0,0|1,0,1]=4 70 B11R1.91 O=C(O)CCN1CCCCC1 65244 [1,0,0,1,0,0|1,0,0]=3 71 B11R1.91 O=C(O)CCN1CCOCC1 F11750 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.91 O=C(O)CCN1CCOCC1 F11751 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.91 O=C(O)COC1CCCCC1 29839 [1,0,0,1,0,0|1,0,1]=4 74 B11R1.91 O=C(O)\C=C\C1CCCCC1 12218 [1,0,0,1,0,0|0,0,2]=4 75 B11R1.742 O=C(O)CC1CCCCCC1 BL003152 [1,0,0,1,0,0|0,0,1]=3 76 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 D70490 [0,1,0,1,0,0|0,0,2]=4 77 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(=O)O D76313 [0,1,0,1,0,0|1,0,1]=4 78 B13R1.342 O=C(O)CCCC(=O)N1CCCC1 D81736 [0,1,0,1,0,0|1,0,1]=4 79 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O P16394 [0,1,0,1,0,0|1,0,1]=4 80 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 D70227 [0,1,0,1,0,0|0,0,2]=4 81 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O F14396 [0,1,0,1,0,0|0,0,2]=4 82 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O F14397 [0,1,0,1,0,0|0,0,2]=4