0 B11R0.4 C=COC(=O)CCCCCCC D84790 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.4 CC=CC(=O)OCCCCCC D95666 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.4 CCCCCCOC(=O)COC D81462 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.4 CCOC(=O)CCCCCCBr F11933 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.4 CCOC(=O)CCCCCCN 34353 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.1 CCOC(=O)CCCCC=O N10652 [1,0,0,0,0,0|1,0,2]=4 6 B10R0.1 CCOC(=O)CCCCCBr 73728 [1,0,0,0,0,0|1,0,1]=3 7 B10R0.1 CCOC(=O)CCCCCN V10012 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.1 CCOC(=O)CCCCCO A11137 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.1 CCOC(=O)COCCCCl AC8364 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.71 CCCCC\C=C\C=C\C=O AC8162 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.71 CCCCC\C=C\CCCO D90033 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.74 CCCCCC#CC(=O)OC D70492 [1,0,0,0,0,0|0,0,2]=3 13 B10R0.74 COC(=O)CCCCCCBr F11980 [1,0,0,0,0,0|1,0,2]=4 14 B10R0.74 COC(=O)CCCCCCN 67874 [1,0,0,0,0,0|1,0,2]=4 15 B12R0.1 CCCCCCCCC(=O)OCC D70268 [0,1,0,0,0,0|0,0,2]=3 16 B12R0.1 CCOC(=O)CCCCCCCBr 36210 [0,1,0,0,0,0|0,0,2]=3 17 B12R0.4 CCCCCCCC(=O)CC(C)C H10895 [0,1,0,0,0,0|1,0,2]=4 18 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC D70580 [0,1,0,0,0,0|0,0,2]=3 19 B12R0.114 CCOC(=O)C(=O)CCCCCCl AC2328 [0,1,0,0,0,0|1,0,1]=3 20 B12R0.206 CCCCCCCC(=O)OCCC D92187 [0,1,0,0,0,0|0,0,2]=3 21 B12R0.239 CCCCC[C@H](C)OC(=O)CCC D93438 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.32 CCCC(=O)OC1CCCCC1 D88681 [0,0,0,1,0,0|2,0,1]=4 24 B12R1.32 CCOC(=O)C=C1CCOCC1 11359 [0,0,0,1,0,0|1,0,0]=2 25 B12R1.32 CCOC(=O)CC1CCNCC1 60917 [0,0,0,1,0,0|1,0,2]=4 26 B12R1.32 CCOC(=O)CC1CCNCC1 69550 [0,0,0,1,0,0|1,0,2]=4 27 B12R1.32 CCOC(=O)CC1CCOCC1 50745 [0,0,0,1,0,0|1,0,2]=4 28 B12R1.32 CCOC(=O)CN1CCCCC1 AC2282 [0,0,0,1,0,0|1,0,1]=3 29 B12R1.32 CCOC(=O)CN1CCNCC1 60925 [0,0,0,1,0,0|2,0,1]=4 30 B12R1.32 CCOC(=O)CN1CCOCC1 30940 [0,0,0,1,0,0|2,0,1]=4 31 B12R1.32 CCOC(=O)C[C@H]1CCCCN1 30366 [0,0,0,1,0,0|1,0,2]=4 32 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 37951 [0,0,0,1,0,0|1,0,2]=4 33 B12R1.32 CCOC(=O)\C=C1/CCCNC1 D82397 [0,0,0,1,0,0|1,0,0]=2 34 B12R1.51 CCOC(=O)\C=C\N1CCCC1 D82127 [0,0,0,1,0,0|1,0,0]=2 35 B12R1.308 CCOC(=O)C1=C(N)CCCC1 29172 [0,0,0,1,0,0|1,0,2]=4 36 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C 39381 [0,0,0,1,0,0|1,0,2]=4 37 B12R1.316 CCOC(=O)C1=CNN=C1CC O11776 [0,0,0,1,0,0|2,0,1]=4 38 B12R1.372 CCCCCCN1CCCC1=O 68655 [0,0,0,1,0,0|2,0,1]=4 39 B9R0.5 CCCNCC(=O)OCC 20892 [2,0,0,0,0,0|1,0,0]=3 40 B9R0.5 CCC\C=C\C(=O)OCC D90567 [2,0,0,0,0,0|0,0,0]=2 41 B9R0.5 CCOC(=O)CCCCBr 78992 [2,0,0,0,0,0|1,0,0]=3 42 B9R0.5 CCOC(=O)COCCCl 30785 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.5 CCOC=CC(=O)OCC CL4510 [2,0,0,0,0,0|1,0,0]=3 44 B9R0.5 CCO\C=C\C(=O)OCC F11937 [2,0,0,0,0,0|1,0,0]=3 45 B9R0.5 C\C=C\C=C\C(=O)OCC D78104 [2,0,0,0,0,0|0,0,2]=4 46 B9R0.45 CCCCCC\C=C/CO D91736 [2,0,0,0,0,0|1,0,1]=4 47 B9R0.45 CC\C=C/CCCCCO D91715 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.46 CCCCCCC(=O)OC D90782 [2,0,0,0,0,0|0,0,1]=3 49 B9R0.46 COC(=O)CCCCCBr AC7709 [2,0,0,0,0,0|1,0,1]=4 50 B9R0.46 COC(=O)CCCCCN 24451 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.46 COC(=O)CCCCCO D97618 [2,0,0,0,0,0|1,0,1]=4 52 B11R0.5 CCCCC(=O)CC(=O)OCC F16750 [1,1,0,0,0,0|0,0,1]=3 53 B11R0.62 CCOC(=O)\C=C/C(=O)OCC D70233 [1,1,0,0,0,0|1,0,1]=4 54 B11R0.81 C=CCOC(=O)CCCCCC A50640 [1,1,0,0,0,0|0,0,2]=4 55 B11R0.81 CCCCCCC(=O)OCCC D95754 [1,1,0,0,0,0|0,0,1]=3 56 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 73269 [1,1,0,0,0,0|1,0,1]=4 57 B13R0.2 CCOC(=O)CCCCCCCCBr T70716 [0,2,0,0,0,0|0,0,2]=4 58 B13R0.367 CCOC(=O)CCCC[C@H](Cl)CCCl O11809 [0,2,0,0,0,0|0,0,2]=4 59 B13R0.338 CCCCCCCC(=O)OCCCC D91788 [0,2,0,0,0,0|0,0,2]=4 60 B11R1.16 CCOC(=O)C1CCNCC1 F14112 [1,0,0,1,0,0|1,0,1]=4 61 B11R1.16 CCOC(=O)C1CCNCC1 P20835 [1,0,0,1,0,0|1,0,1]=4 62 B11R1.16 CCOC(=O)C1CCOCC1 30966 [1,0,0,1,0,0|1,0,1]=4 63 B11R1.16 CCOC(=O)N1CCCCC1 20551 [1,0,0,1,0,0|1,0,0]=3 64 B11R1.16 CCOC(=O)N1CCNCC1 78221 [1,0,0,1,0,0|2,0,0]=4 65 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 29023 [1,0,0,1,0,0|1,0,1]=4 66 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 60949 [1,0,0,1,0,0|1,0,1]=4 67 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 60950 [1,0,0,1,0,0|1,0,1]=4 68 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 C13687 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11177 [1,0,0,1,0,0|1,0,1]=4 70 B11R1.16 CCOC(=O)[C@H]1CCCNC1 20042 [1,0,0,1,0,0|1,0,1]=4 71 B11R1.16 CCOC(=O)[C@H]1CCCNC1 23876 [1,0,0,1,0,0|1,0,1]=4 72 B11R1.16 CCOC(=O)[C@H]1CCCNC1 38517 [1,0,0,1,0,0|1,0,1]=4 73 B11R1.16 CCOC(=O)[C@H]1CCCNC1 49557 [1,0,0,1,0,0|1,0,1]=4 74 B11R1.16 CCOC(=O)[C@H]1CCCNC1 49559 [1,0,0,1,0,0|1,0,1]=4 75 B11R1.16 CCOC(=O)[C@H]1CCCNC1 60919 [1,0,0,1,0,0|1,0,1]=4 76 B11R1.16 CCOC(=O)[C@H]1CCCNC1 AR2228 [1,0,0,1,0,0|1,0,1]=4 77 B11R1.16 CCOC(=O)[C@H]1CCCNC1 C10795 [1,0,0,1,0,0|1,0,1]=4 78 B11R1.16 CCOC(=O)[C@H]1CCCOC1 F52662 [1,0,0,1,0,0|1,0,1]=4 79 B11R1.16 CCOC(=S)N1CCCCC1 D84112 [1,0,0,1,0,0|1,1,0]=4 80 B11R1.24 CCCC[C@H]1CCCC(=O)O1 D91705 [1,0,0,1,0,0|2,0,0]=4 81 B11R1.199 CCOC(=O)C1=C(N)CCC1 AT23521 [1,0,0,1,0,0|1,0,1]=4 82 B11R1.199 CCOC(=O)C1CCCC1N D75786 [1,0,0,1,0,0|1,0,1]=4 83 B11R1.25 COC(=O)CNC1CCCC1 36181 [1,0,0,1,0,0|1,0,1]=4 84 B11R1.25 COC(=O)\C=C\C1CCCC1 W11685 [1,0,0,1,0,0|0,0,0]=2 85 B11R1.27 CCCCC[C@H]1CCC(=O)O1 D70273 [1,0,0,1,0,0|1,0,1]=4 86 B11R1.40 COC(=O)C=C1CCOCC1 21174 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.40 COC(=O)CC1CCCCC1 F14170 [1,0,0,1,0,0|0,0,2]=4 88 B13R1.42 CCOC(=O)CCC1CCCCC1 A10912 [0,1,0,1,0,0|0,0,2]=4 89 B13R1.463 CCOC(=O)[C@@H]1CCCCCC1=O FD9024 [0,1,0,1,0,0|0,0,1]=3 90 B13R1.463 CCOC(=O)[C@@H]1CCNCCC1=O W10048 [0,1,0,1,0,0|1,0,1]=4 91 B13R1.1575 CCOC(=O)C=C1CCCCCC1 20663 [0,1,0,1,0,0|0,0,0]=2 92 B13R1.348 C[C@H](Cl)OC(=O)OC1CCCCC1 S10074 [0,1,0,1,0,0|1,0,1]=4 93 B13R1.47 CCOC(=O)C(=O)C1CCCCC1 P10695 [0,1,0,1,0,0|0,0,1]=3 94 B13R1.66 CCOC(=O)C(=O)NC1CCCC1 A12479 [0,1,0,1,0,0|1,0,0]=3 95 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 30365 [0,1,0,1,0,0|0,0,1]=3 96 B13R1.33 CCOC(=O)CC(=O)[C@@H]1CCCO1 29451 [0,1,0,1,0,0|1,0,1]=4 97 B13R1.33 CCOC(=O)\C=C(/C)N1CCCC1 D81896 [0,1,0,1,0,0|1,0,0]=3 98 B13R1.33 CCOC(=O)\C=C(\C)N1CCCC1 C76249 [0,1,0,1,0,0|1,0,0]=3 99 B13R1.2570 CCOC(=O)CC1(O)CCCCC1 25201 [0,1,0,1,0,0|0,0,2]=4 100 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 AB1425 [0,1,0,1,0,0|0,0,1]=3 101 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 32306 [0,1,0,1,0,0|0,0,2]=4