0 B11R0.148 OC(=O)CCCCCCCCBr AK-49777 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.148 OCCCCCCCCC(O)=O AK-77678 [0,0,0,0,0,0|1,0,0]=1 2 B10R0.4 CCCCCCCCB(O)O AK-84208 [1,0,0,0,0,0|1,0,1]=3 3 B10R0.4 O=C(O)CCCCCCCBr AK-33752 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.4 O=C(O)CCCCCCCN AK-45259 [1,0,0,0,0,0|1,0,0]=2 5 B10R0.4 O=C(O)COCCOCCN AK-33158 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.4 O=C(O)COCCOCCN AK-90200 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.71 C(CCCCBr)CCCCBr AK-48264 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.71 C=CCCCCCCCCBr AK-48406 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.71 ClCCCCCCCCCCl AK-48518 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.71 OCCCCCCCCCBr AK-77024 [1,0,0,0,0,0|1,0,1]=3 11 B10R0.71 OCCCCCCCCCO AK117066 [1,0,0,0,0,0|1,0,1]=3 12 B12R0.4 CCCCCCCC(O)CC(O)=O AK140664 [0,1,0,0,0,0|0,0,0]=1 13 B12R0.119 CCCCCCCCCS(=O)([O-])=O AK161737 [0,1,0,0,0,0|1,0,1]=3 14 B12R0.184 O=C(O)CCCCCCC(OC)=O AK113993 [0,1,0,0,0,0|1,0,1]=3 15 B12R0.234 CCCCCCCCCCB(O)O AK-84199 [0,1,0,0,0,0|1,0,1]=3 16 B12R0.234 CCCCCCCCCCC(O)=O AK112843 [0,1,0,0,0,0|0,0,0]=1 17 B12R0.234 O=C(O)CCCCCCCCCO AK114669 [0,1,0,0,0,0|0,0,0]=1 18 B12R0.248 CCCCCCCCOC(=O)CN AK111185 [0,1,0,0,0,0|2,0,0]=3 19 B12R0.248 O=C(OC)CCCCCCCCO AK158505 [0,1,0,0,0,0|1,0,0]=2 20 B12R0.251 CCCCCCCCC(N)C(O)=O AK-87753 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.28 O=C1CCCC(CCCCC)O1 AK105335 [0,0,0,1,0,0|0,0,0]=1 22 B12R1.252 O=C(O)CCCC1CCNCC1 AK-51221 [0,0,0,1,0,0|1,0,0]=2 23 B12R1.252 O=C(O)\C=C\CN1CCCCC1 AK543079 [0,0,0,1,0,0|1,0,2]=4 24 B12R1.255 C(C1CCSS1)CCCC(O)=O AK-72974 [0,0,0,1,0,0|2,0,0]=3 25 B9R0.2 C=CCCCCCC(O)=O AK164507 [2,0,0,0,0,0|0,0,2]=4 26 B9R0.2 CCCCCCCB(O)O AK145619 [2,0,0,0,0,0|1,0,1]=4 27 B9R0.2 O=C(O)CCCCCCN AK-47536 [2,0,0,0,0,0|1,0,0]=3 28 B9R0.2 OC(=O)CCCCCCBr AK-28585 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.2 OCCCCCCC(O)=O AK-29232 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.45 BrCCCCCCCCBr AK-48263 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.45 C#CCCCCCCCO AK117239 [2,0,0,0,0,0|0,0,2]=4 32 B9R0.45 C=CCCCCCCCBr AK161876 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.45 C=CCCCCCCCCl AK164575 [2,0,0,0,0,0|1,0,1]=4 34 B9R0.45 CCCCCCCCCBr AK164444 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.45 OCCCCCCCCBr AK113930 [2,0,0,0,0,0|1,0,0]=3 36 B11R0.30 C(C(O)=O)CCCCCC(O)=O AK-73011 [1,1,0,0,0,0|1,0,1]=4 37 B11R0.40 CCCCCC\C=C\C(OC)=O AK112231 [1,1,0,0,0,0|0,0,2]=4 38 B11R0.42 CCCCCCC[C@H](N)C(O)=O AK-58077 [1,1,0,0,0,0|0,0,0]=2 39 B11R0.46 CCCCCC(C)CCC(O)=O AK112837 [1,1,0,0,0,0|0,0,0]=2 40 B11R0.46 O=C(O)CCN(C)CCCCC AK-35893 [1,1,0,0,0,0|1,0,0]=3 41 B11R0.159 CCCCCCCCP(O)(O)=O AK-48059 [1,1,0,0,0,0|1,0,0]=3 42 B11R0.159 CCCCCCCCS(=O)([O-])=O AK-86035 [1,1,0,0,0,0|1,0,1]=4 43 B11R0.3 ClCCCCCCCCCCCl AK116580 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.3 OCCCCCCCCCCBr AK-35534 [1,1,0,0,0,0|0,0,1]=3 45 B13R0.280 CCCCCCCCCCS(=O)([O-])=O AK-86031 [0,2,0,0,0,0|1,0,1]=4 46 B13R0.201 COC(=O)CCCCCCC(=O)OC AK111088 [0,2,0,0,0,0|1,0,1]=4 47 B13R0.54 CCCCCCCCCCCC(N)=O AK486988 [0,2,0,0,0,0|1,0,0]=3 48 B13R0.54 NCCCCCCCCCCC(O)=O AK111174 [0,2,0,0,0,0|0,0,0]=2 49 B13R0.54 O=C(O)CCCCCCCCCCBr AK-54019 [0,2,0,0,0,0|0,0,0]=2 50 B13R0.2 O=C(OCCCCCCCC)CC#N AK161756 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.27 O=C1OC(CCCCC)CC1 AK551064 [1,0,0,1,0,0|0,0,0]=2 52 B11R1.91 O=C(O)CCC1CCCCC1 AK116675 [1,0,0,1,0,0|0,0,0]=2 53 B11R1.91 O=C(O)CCN1CCCCC1 AK-34442 [1,0,0,1,0,0|1,0,0]=3 54 B11R1.91 O=C(O)CCN1CCOCC1 AK-32581 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.91 O=C(O)\C=C\C1CCCCC1 AK-79295 [1,0,0,1,0,0|0,0,2]=4 56 B11R1.28 OCCCCC1CCNCC1 AK-83612 [1,0,0,1,0,0|1,0,1]=4 57 B13R1.547 O=C([C@H]1[C@@H](C(OC)=O)CCCC1)O AK177086 [0,1,0,1,0,0|1,0,1]=4 58 B13R1.547 O=C([C@H]1[C@H](C(OC)=O)CCCC1)O AK193998 [0,1,0,1,0,0|1,0,1]=4 59 B13R1.351 O=C(O)[C@@H](N)CCC1CCCCC1 AK486826 [0,1,0,1,0,0|0,0,0]=2 60 B13R1.351 O=C(O)[C@H](N)CCC1CCCCC1 AK316201 [0,1,0,1,0,0|0,0,0]=2 61 B13R2.11128 O=C1OC2(CCNCC2)CCN1 AK151128 [0,0,0,2,0,0|2,0,0]=4 62 B13R2.435 N1C2CCCCC2CC1C(=O)O AK-36434 [0,0,0,2,0,0|1,0,0]=3 63 B13R2.435 O=C(C1N[C@H]2CCCC[C@H]2C1)O AK188019 [0,0,0,2,0,0|1,0,0]=3 64 B13R2.435 O=C([C@@H]1N[C@H]2CCCC[C@H]2C1)O AK120137 [0,0,0,2,0,0|1,0,0]=3 65 B13R2.435 O=[C@@]([C@H]1N[C@H]2CCCC[C@H]2C1)O AK-36437 [0,0,0,2,0,0|1,0,0]=3 66 B13R2.14125 OC(=O)CC12CCCN1CCC2 AK-40003 [0,0,0,2,0,0|1,0,0]=3 67 B13R2.5574 O=C([C@H]1N(CC2CC2)CCC1)O AK-29187 [0,0,0,2,0,0|1,0,0]=3