0 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.2 B(CCCCCCC)(O)O AB23085 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.1 CSCCC1CNC(=O)CN1 AB37235 [0,0,0,1,0,0|3,0,0]=4 3 B11R1.1 CSCC[C@@H]1CNC(=O)CN1 AB37241 [0,0,0,1,0,0|3,0,0]=4 4 B11R1.1 CSCC[C@H]1CNC(=O)CN1 AB37238 [0,0,0,1,0,0|3,0,0]=4 5 B11R1.25 COC(=O)\C=C\N1CCCC1 AB08286 [0,0,0,1,0,0|1,0,2]=4 6 B11R1.40 CCC(=O)OC1CCNCC1 MB02492 [0,0,0,1,0,0|3,0,0]=4 7 B11R1.40 COC(=O)CC1CCNCC1 AB19927 [0,0,0,1,0,0|1,0,0]=2 8 B11R1.40 COC(=O)CC1CCNCC1 AB50157 [0,0,0,1,0,0|1,0,0]=2 9 B11R1.40 COC(=O)CC1CNCCO1 AB19177 [0,0,0,1,0,0|2,0,0]=3 10 B11R1.40 COC(=O)CC1COCCN1 AB19173 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.40 COC(=O)C[C@@H]1CCCCN1 MB06954 [0,0,0,1,0,0|1,0,0]=2 12 B11R1.40 COC(=O)C[C@H]1CCCCN1 MB06952 [0,0,0,1,0,0|1,0,0]=2 13 B11R1.222 COC(=O)C1C(=O)CCCN1 AB43249 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.222 C[C@H]1[C@H](CCCN1)C(=O)OC AB19340 [0,0,0,1,0,0|1,0,0]=2 15 B11R1.852 COC(=O)C1CCCNCC1 PB28813 [0,0,0,1,0,0|1,0,0]=2 16 B8R0.7 B(CCCCCC)(O)O AB08083 [2,0,0,0,0,0|1,0,1]=4 17 B10R0.4 C(COCCOCC(=O)O)N AB66809 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.10 CCCC1COCC(=O)N1 AB72706 [1,0,0,1,0,0|2,0,0]=4 19 B10R1.18 B(CC1CCCCC1)(O)O AB53934 [1,0,0,1,0,0|1,0,1]=4 20 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [1,0,0,1,0,0|1,0,0]=3 21 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [1,0,0,1,0,0|1,0,0]=3 22 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [1,0,0,1,0,0|1,0,0]=3 23 B10R1.18 C1CN(CCN1)CC(=O)O AB13768 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.18 C1CNCCC1CC(=O)N PB30145 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.18 C1CNCCC1CC(=O)O PB18605 [1,0,0,1,0,0|1,0,0]=3 26 B10R1.18 C1COC(CN1)CC(=O)O AB17145 [1,0,0,1,0,0|2,0,0]=4 27 B10R1.18 C1COCC(N1)CC(=O)O PB27599 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.18 C1COCCC1CC(=O)O PB33952 [1,0,0,1,0,0|1,0,0]=3 29 B10R1.18 C1COC[C@@H](N1)CC(=O)O MB69354 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.18 C1COC[C@H](N1)CC(=O)O MB69353 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.18 C1CO[C@@H](CN1)CC(=O)O MB15018 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.18 C1CO[C@H](CN1)CC(=O)O MB15022 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.18 C1CSCCN1CC(=O)O AB16490 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [1,0,0,1,0,0|1,0,0]=3 35 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [1,0,0,1,0,0|1,0,0]=3 36 B10R1.18 CC(=O)CN1CCOCC1 AB48352 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.18 CC(=O)OC1CCCCS1 AB31207 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.18 CC(=O)SC1CCOCC1 AB76313 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)N AB50604 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [1,0,0,1,0,0|1,0,0]=3 42 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [1,0,0,1,0,0|1,0,0]=3 43 B10R1.61 CN1CCCCC1C(=O)O AB09264 [1,0,0,1,0,0|1,0,0]=3 44 B10R1.61 CN1CCOCC1C(=O)O AB28234 [1,0,0,1,0,0|2,0,0]=4 45 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.17 CCCCC1CCNCC1 AB21590 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.17 COCCC1CCNCC1 PB28136 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.15 COC(=O)C1CCCOC1 PB29711 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.15 COC(=O)C1CCNCC1 AB04510 [1,0,0,1,0,0|1,0,0]=3 50 B10R1.15 COC(=O)C1CCOCC1 PB10181 [1,0,0,1,0,0|1,0,0]=3 51 B10R1.15 COC(=O)C1CCSCC1 PB17687 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.15 COC(=O)[C@@H]1CCCNC1 PB34398 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.15 COC(=O)[C@@H]1CNCCN1 PB16226 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.15 COC(=O)[C@H]1CCCNC1 PB17641 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.15 COC(=O)[C@H]1CNCCN1 PB16053 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.27 COC(=O)C[C@@H]1CCCN1 AB58450 [1,0,0,1,0,0|1,0,0]=3 57 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB10477 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB11090 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.149 COC(=O)[C@@H]1[C@H](CCN1)O PB37982 [1,0,0,1,0,0|2,0,0]=4 60 B12R1.32 CCOC(=O)CC1CCNCC1 PB32303 [0,1,0,1,0,0|1,0,0]=3 61 B12R1.32 CCOC(=O)CC1CCOCC1 PB18627 [0,1,0,1,0,0|1,0,0]=3 62 B12R1.32 CCOC(=O)CC1CNCCO1 AB19179 [0,1,0,1,0,0|2,0,0]=4 63 B12R1.32 CCOC(=O)CC1COCCN1 AB19176 [0,1,0,1,0,0|2,0,0]=4 64 B12R1.32 CCOC(=O)CN1CCSCC1 AB16496 [0,1,0,1,0,0|2,0,0]=4 65 B12R1.32 CCOC(=O)C[C@@H]1CCCNC1 AB64885 [0,1,0,1,0,0|1,0,0]=3 66 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 AB64884 [0,1,0,1,0,0|1,0,0]=3 67 B12R1.51 CCOC(=O)CCN1CCCC1 MB00294 [0,1,0,1,0,0|1,0,0]=3 68 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N AB03904 [0,1,0,1,0,0|1,0,0]=3 69 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N AB08707 [0,1,0,1,0,0|1,0,0]=3 70 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N AB04133 [0,1,0,1,0,0|1,0,0]=3 71 B12R1.372 CCCCCCN1CCCC1=O AB08436 [0,1,0,1,0,0|2,0,0]=4 72 B12R1.27 COC(=O)CCC1COCCN1 AB19196 [0,1,0,1,0,0|1,0,0]=3 73 B12R1.477 COC(=O)CCNC1CCCC1 AB56463 [0,1,0,1,0,0|0,0,0]=2 74 B12R1.49 CC[C@H](C)C[C@H]1CNC(=O)CN1 AB37242 [0,1,0,1,0,0|2,0,0]=4 75 B12R1.49 CN1CCC(CC1)CC(=O)OC PB25474 [0,1,0,1,0,0|1,0,0]=3 76 B12R1.34 COC(=O)C(C1CCSCC1)N AB20137 [0,1,0,1,0,0|1,0,0]=3 77 B12R1.34 COC(=O)[C@@H](C1CCOCC1)N AB29333 [0,1,0,1,0,0|1,0,0]=3 78 B12R1.1703 COC(=O)C1CCC(CC1O)O AB24891 [0,1,0,1,0,0|1,0,0]=3 79 B12R2.2918 C1CC2(CC(=O)NC2)CNC1 PB11013 [0,0,0,2,0,0|2,0,0]=4 80 B12R2.2918 C1CNCCC12CC(=O)NC2 PB28206 [0,0,0,2,0,0|2,0,0]=4 81 B12R2.2918 C1COCCC12CC(=O)NC2 PB33154 [0,0,0,2,0,0|2,0,0]=4 82 B12R2.18 CN1C[C@@H]2CCNC[C@@H]2C1=O PB18223 [0,0,0,2,0,0|2,0,0]=4 83 B12R2.18 CN1C[C@H]2CCNC[C@H]2C1=O PB35317 [0,0,0,2,0,0|2,0,0]=4 84 B12R2.594 C1C[C@@H]2CC(=O)NC[C@H](C1)N2 AB65838 [0,0,0,2,0,0|2,0,0]=4 85 B12R2.3810 COC(=O)C1C2CC1CNC2 PB13987 [0,0,0,2,0,0|1,0,0]=3 86 B12R2.630 CN1[C@H]2CC[C@@H]1CNC(=O)C2 AB44653 [0,0,0,2,0,0|2,0,0]=4