0 B7R0.1 CNCCCCC=C CB11323 [1,0,0,0,0,0|1,0,2]=4 1 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,1,0,0,0,0|1,0,2]=4 2 B9R0.2 B(\C=C\CCCCC)(O)O AB08058 [0,1,0,0,0,0|1,0,0]=2 3 B9R0.45 C(COCCOCCO)N AB31123 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.45 CCCCCCNCCN AB05874 [0,1,0,0,0,0|1,0,2]=4 5 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,0,0,1,0,0|1,0,2]=4 6 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,0,0,1,0,0|1,0,2]=4 7 B9R1.8 C1CCC(CC1)CCN AB02346 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.8 C1CCC(CC1)CCN AB09885 [0,0,0,1,0,0|1,0,2]=4 9 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,0,0,1,0,0|1,0,2]=4 10 B9R1.8 C1CCOC(C1)CCN AB28415 [0,0,0,1,0,0|1,0,2]=4 11 B9R1.8 C1COCCC1CCO PB27428 [0,0,0,1,0,0|1,0,2]=4 12 B9R1.8 CCCC1CNCCO1 AB70522 [0,0,0,1,0,0|1,0,1]=3 13 B9R1.8 CCCC1COCCN1 AB53847 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.8 CNCC1CCCCO1 AB45928 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.8 CNCC1COCCO1 AB16898 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.12 CCCCC1CCCN1 AB12052 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.14 CCC1=C(C=NC1)CC AB43391 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O PB38822 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O PB37859 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.15 C1CNC[C@@H]([C@H]1CO)O PB38900 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.15 C1CNC[C@H]([C@@H]1CN)O PB36505 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [0,0,0,1,0,0|1,0,2]=4 31 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.7 B(CCCCCC)(O)O AB08083 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [1,1,0,0,0,0|1,0,0]=3 34 B10R0.4 B(\C=C\CCCCCC)(O)O AB10827 [0,2,0,0,0,0|1,0,0]=3 35 B8R1.2 C1CC(CNC1)CO PB21599 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.2 C1CC(OC=C1)C=O PB24581 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.2 C1CCC(=CC1)CBr PB28658 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.2 C1CCN(CC1)CCl AB16725 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.2 C1CCOC(C1)CBr MB00206 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.2 C1CCOC(C1)CN AB28292 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.2 C1CCOC(C1)CO AB00784 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.2 C1CNCCC1CO PB10118 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.2 C1COCCC1=NO AB55822 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 C1COCCC1CO PB18487 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.2 C1CSCCC1CO PB28111 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.2 CCC1CNCCO1 AB49621 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.5 CC1CCNCC1O PB36981 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.8 C1CC(NC1)CCO CB10162 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.8 C1CC(NC1)CCO PB35354 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.8 C1CC(OC1)CCI AB76593 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.8 C1CC(OC1)CCN AB30605 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.8 C1CNCC1CCO PB20322 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.11 CN1CCC[C@@H]1CO PB17412 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.22 C1CC(CCNC1)O PB18652 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.18 C1COCCC1=CC(=O)O AB18107 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB30956 [0,1,0,1,0,0|0,0,2]=4 70 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB49845 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.348 B(C1=CCCCCC1)(O)O AB20339 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.17 CNCCC1CCCCO1 AB28412 [0,1,0,1,0,0|0,0,2]=4 73 B10R1.5 CCCn1c(ncn1)CO AB28082 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.1 C1CN(CCC1O)CCO MB05042 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.15 C1COCCN1C(=O)CO AB44986 [0,1,0,1,0,0|2,0,0]=4 76 B10R2.6 C1CC1C2CNCCO2 AB71704 [0,0,0,2,0,0|1,0,1]=4 77 B10R2.7 C1CCC2=NCC=C2C1 CB10084 [0,0,0,2,0,0|1,0,1]=4 78 B10R2.484 C1CC2(C1)CNCCO2 PB16793 [0,0,0,2,0,0|1,0,1]=4 79 B10R2.15 C1CC12CCNCC2O PB21076 [0,0,0,2,0,0|1,0,1]=4 80 B10R2.15 C1CC12CCNCC2O PB36531 [0,0,0,2,0,0|1,0,1]=4 81 B10R2.15 C1CC12CCNC[C@@H]2O PB35894 [0,0,0,2,0,0|1,0,1]=4 82 B10R2.15 C1CC12CCNC[C@@H]2O PB36498 [0,0,0,2,0,0|1,0,1]=4 83 B10R2.15 C1CC12CCNC[C@H]2O PB35880 [0,0,0,2,0,0|1,0,1]=4 84 B10R2.15 C1CC12CCNC[C@H]2O PB38367 [0,0,0,2,0,0|1,0,1]=4