0 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 B(\C=C\CCCCC)(O)O AB08058 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.7 B(CCCCCC)(O)O AB08083 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.4 B(\C=C\CCCCCC)(O)O AB10827 [0,1,0,0,0,0|1,0,1]=3 5 B10R0.4 C(COCCOCC(=O)O)N AB66809 [0,1,0,0,0,0|2,0,1]=4 6 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,1,0,0,0,0|1,0,2]=4 7 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [0,0,0,1,0,0|1,0,2]=4 9 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [0,0,0,1,0,0|1,0,1]=3 10 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,0,0,1,0,0|1,0,2]=4 11 B10R1.18 C1CN(CCN1)CC(=O)O AB13768 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.18 C1CNCCC1CC(=O)O PB18605 [0,0,0,1,0,0|1,0,2]=4 13 B10R1.18 C1COCCC1=CC(=O)O AB18107 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.18 C1COCCC1CC(=O)O PB33952 [0,0,0,1,0,0|1,0,2]=4 15 B10R1.18 C1CSCCN1CC(=O)O AB16490 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [0,0,0,1,0,0|1,0,2]=4 17 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [0,0,0,1,0,0|1,0,2]=4 18 B10R1.39 CCn1c(cnn1)C(=O)O AB76279 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,0,0,1,0,0|1,0,2]=4 20 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,0,0,1,0,0|1,0,2]=4 22 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.348 B(C1=CCCCCC1)(O)O AB20339 [0,0,0,1,0,0|1,0,1]=3 24 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,0,0,1,0,0|1,0,2]=4 25 B7R0.1 CNCCCCC=C CB11323 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.4 B(CCCCC)(O)O AB08098 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.4 B(\C=C\CCC)(O)O AB08112 [2,0,0,0,0,0|1,0,1]=4 28 B9R0.4 CCCCC(CC(=O)O)N AB08231 [1,1,0,0,0,0|0,0,1]=3 29 B9R1.8 C1CCC(CC1)CC=O MB02401 [1,0,0,1,0,0|0,0,2]=4 30 B9R1.15 CCC1CCCCC1=O AB02693 [1,0,0,1,0,0|0,0,2]=4 31 B9R1.2 CCC1CCCC(=O)N1 CB11733 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.6 B(C1=CCCCC1)(O)O AB11273 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.6 C1CC(COC1)C(=O)O PB24847 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.6 C1CNCCC1C(=O)O AB00566 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.6 C1COCCC1C(=O)O PB14093 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.6 C1CSCCC1C(=O)O PB25232 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.13 C1CNCC1CC(=O)O PB14239 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.13 C1COCC1CC(=O)O CB10890 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [1,0,0,1,0,0|1,0,1]=4 53 B11R1.53 CCN1CCCCC1C(=O)O AB13803 [0,1,0,1,0,0|0,0,2]=4 54 B11R1.86 CC1CNCCN1CC(=O)O AB61887 [0,1,0,1,0,0|1,0,1]=4 55 B11R1.86 C[C@@H]1CNCCN1CC(=O)O AB61891 [0,1,0,1,0,0|1,0,1]=4 56 B11R1.86 C[C@H]1CNCCN1CC(=O)O AB61892 [0,1,0,1,0,0|1,0,1]=4 57 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O AB44866 [0,1,0,1,0,0|0,0,2]=4 58 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O AB45066 [0,1,0,1,0,0|0,0,2]=4 59 B11R1.706 B(\C\1=C\CCCCCC1)(O)O AB22284 [0,1,0,1,0,0|1,0,1]=4 60 B11R1.77 C1CCC(C1)C(CC(=O)O)N AB12940 [0,1,0,1,0,0|0,0,2]=4 61 B11R1.77 C1CCC(C1)[C@@H](CC(=O)O)N AB36115 [0,1,0,1,0,0|0,0,2]=4 62 B11R1.77 C1CCC(C1)[C@H](CC(=O)O)N AB36111 [0,1,0,1,0,0|0,0,2]=4 63 B11R1.25 COC(=O)\C=C\N1CCCC1 AB08286 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.35 C1CCC(C1)C[C@H](C(=O)O)N AB15926 [0,1,0,1,0,0|0,0,2]=4 65 B11R1.36 C1CCC(CC1)[C@H](C(=O)O)N AB08456 [0,1,0,1,0,0|0,0,2]=4 66 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N AB22652 [0,1,0,1,0,0|0,0,2]=4 67 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N AB49828 [0,1,0,1,0,0|0,0,2]=4 68 B11R2.106 C1COC(=O)C2=CN=CC21 AB50248 [0,0,0,2,0,0|1,0,1]=4 69 B11R2.10 C1CNCC2=CC(=O)SC21 PB21089 [0,0,0,2,0,0|1,1,0]=4 70 B11R2.845 C1CC2CC1C(N2)C(=O)O PB34219 [0,0,0,2,0,0|1,0,1]=4 71 B11R2.845 C1C[C@@H]2C[C@H]1[C@H](N2)C(=O)O PB10554 [0,0,0,2,0,0|1,0,1]=4 72 B11R2.845 C1C[C@H]2C[C@@H]1[C@@H](N2)C(=O)O PB35844 [0,0,0,2,0,0|1,0,1]=4