0 B11R0.148 CCCCCCCCCC(=O)[O-] 29720 [0,0,0,0,0,0|0,0,1]=1 1 B11R0.148 CCCCCCCCC[C@H](C)O 15557 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.148 COCCOCCOCC(=O)O 31987 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.4 C=CCCCCCCC(=O)O 27146 [1,0,0,0,0,0|0,0,2]=3 4 B10R0.4 CCCCCCCCB(O)O 29487 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.4 CCCCCCCCN(C)C 35306 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.4 NCCCCCCCC(=O)O 13165 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.4 NCCOCCOCC(=O)O 33692 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.71 BrCCCCCCCCCBr 3900 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.71 CCCCCCC#CCCO 13074 [1,0,0,0,0,0|0,0,3]=4 10 B10R0.71 CCCCCCCC#CCO 11035 [1,0,0,0,0,0|0,0,3]=4 11 B10R0.71 CCCCCCCCCCBr 2457 [1,0,0,0,0,0|1,0,1]=3 12 B10R0.71 CCCCCCCCCCI 3942 [1,0,0,0,0,0|1,0,1]=3 13 B10R0.71 CCCCOCCOCCO 12838 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.71 ICCCCCCCCCI 3850 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.71 OCCCCCCCCCBr 23429 [1,0,0,0,0,0|1,0,1]=3 16 B12R0.4 CCCCCCCC(O)CC(=O)O 35410 [0,1,0,0,0,0|0,0,0]=1 17 B12R0.234 CCCCCCCCCCB(O)O 26286 [0,1,0,0,0,0|1,0,1]=3 18 B12R0.234 O=C(O)CCCCCCCCCO 25651 [0,1,0,0,0,0|0,0,0]=1 19 B12R0.248 CCCCCCCCOC(=O)CN 12487 [0,1,0,0,0,0|2,0,0]=3 20 B12R0.248 COC(=O)CCCCCCCCO 18968 [0,1,0,0,0,0|1,0,0]=2 21 B12R0.248 OCCCCCCCCC(O)CO 32259 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.252 O=C(O)CCCC1CCCCC1 15521 [0,0,0,1,0,0|0,0,0]=1 23 B12R1.255 O=C(O)CCCCC1CCSS1 14559 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.255 O=C(O)CCCCC1CCSS1 6068 [0,0,0,1,0,0|2,0,0]=3 25 B9R0.2 CCCCCCCC(=O)[O-] 12870 [2,0,0,0,0,0|0,0,1]=3 26 B9R0.45 BrCCCCCCCCBr 3905 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.45 C#CCCCCCCCO 13081 [2,0,0,0,0,0|0,0,2]=4 28 B9R0.45 CCCCC#CCCCO 13076 [2,0,0,0,0,0|0,0,2]=4 29 B9R0.45 CCCCCC#CCCO 13073 [2,0,0,0,0,0|0,0,2]=4 30 B9R0.45 CCCCCCC#CCO 13067 [2,0,0,0,0,0|0,0,2]=4 31 B9R0.45 CCCCCCCCCBr 3809 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.45 CCCCCCCCCI 3958 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.45 ICCCCCCCCI 3851 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.45 OCCCCCCCCO 36148 [2,0,0,0,0,0|1,0,0]=3 35 B11R0.40 CCCCCCCCC(O)CO 12680 [1,1,0,0,0,0|0,0,2]=4 36 B11R0.147 CCCCC(O)CCCC(=O)O 9714 [1,1,0,0,0,0|0,0,0]=2 37 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 25501 [1,1,0,0,0,0|1,0,1]=4 38 B11R0.3 BrCCCCCCCCCCBr 3873 [1,1,0,0,0,0|1,0,1]=4 39 B11R0.3 CCCCCCCCCCCBr 3840 [1,1,0,0,0,0|1,0,1]=4 40 B11R0.3 CCCCCCCCCCCO 35937 [1,1,0,0,0,0|0,0,1]=3 41 B11R0.3 ICCCCCCCCCCI 3844 [1,1,0,0,0,0|1,0,1]=4 42 B11R0.3 OCCCCCCCCCCBr 36230 [1,1,0,0,0,0|0,0,1]=3 43 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] 25493 [0,2,0,0,0,0|1,0,1]=4 44 B13R0.54 CCCCCCCCC\C=C\C(=O)O 17485 [0,2,0,0,0,0|0,0,0]=2 45 B13R0.54 CCCCCCCCC\C=C\C(=O)O 17492 [0,2,0,0,0,0|0,0,0]=2 46 B13R0.413 CCC\C=C\CCC[C@@](C)(N)C(=O)O 30208 [0,2,0,0,0,0|0,0,2]=4 47 B11R1.90 O=C(O)CCC1NCCC1O 24474 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.90 O=C(O)CC[C@@H]1NCC[C@@H]1O 24473 [1,0,0,1,0,0|2,0,0]=4 49 B11R1.90 O=C(O)CC[C@@H]1NCC[C@H]1O 24472 [1,0,0,1,0,0|2,0,0]=4 50 B11R1.90 O=C(O)CC[C@H]1NCC[C@@H]1O 24470 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.90 O=C(O)CC[C@H]1NCC[C@H]1O 24471 [1,0,0,1,0,0|2,0,0]=4 52 B11R1.91 O=C(O)CCC1CCCCC1 20248 [1,0,0,1,0,0|0,0,0]=2 53 B11R1.91 O=C(O)CCC1CCNCC1 19136 [1,0,0,1,0,0|1,0,0]=3 54 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [1,0,0,1,0,0|1,0,0]=3 55 B11R1.172 O=C(O)CCCN1CCCC1 23548 [1,0,0,1,0,0|1,0,0]=3 56 B11R1.742 O=C(O)CC1CCCCCC1 16200 [1,0,0,1,0,0|0,0,0]=2 57 B11R1.17 CCCCC1CCCCC1=O 20238 [1,0,0,1,0,0|0,0,0]=2 58 B11R1.28 OCCCCC1CCCCC1 16196 [1,0,0,1,0,0|0,0,1]=3 59 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 19053 [0,1,0,1,0,0|2,0,0]=4 60 B13R1.279 OC1CCCCCCCCCCC1 32338 [0,1,0,1,0,0|1,0,1]=4 61 B13R2.435 O=C(O)C1CC2CCCCC2N1 7288 [0,0,0,2,0,0|1,0,0]=3 62 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 15646 [0,0,0,2,0,0|1,0,0]=3 63 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 15854 [0,0,0,2,0,0|1,0,0]=3 64 B13R2.14125 O=C(O)CC12CCCN1CCC2 30360 [0,0,0,2,0,0|1,0,0]=3