0 B9R0.2 C=CCCCCCC(=O)O DY741061 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.2 CC(=O)NCCOCCN DY790167 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 CC(=O)OCCOCCO DY739493 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 CCCCCCOC(=O)Cl NO11449 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 CNCCOCCC(=O)O DY739619 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.2 COCCCCCC(=O)O DY603806 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 NCCCCCCC(=O)O NO10138 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.2 O=C(O)CCCCCCO NO10820 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.4 C=CCCCCCCO DY740623 [1,0,0,0,0,0|0,0,2]=3 9 B8R0.4 CCCCCCCCN DY506682 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.4 CCCCCCCCS DY741379 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.7 CCCCCCC(=O)O DY822462 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.7 CCCCCC[C@H](C)O DY626179 [1,0,0,0,0,0|0,0,3]=4 13 B8R0.7 CSCCCCC(=O)O DY112374 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 NCCCCCC(=O)O NO13381 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.7 NCCOCCC(=O)O DY739157 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.7 O=C(O)CCCCCBr NO18405 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.4 CCCCCCCCC(=O)[O-] DY740629 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.74 CCCCCCCC(=O)NO NO11097 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.74 COC(=O)CCCCCCN NO14288 [0,1,0,0,0,0|1,0,1]=3 20 B10R0.74 COC(=O)CCCCCCO DY524613 [0,1,0,0,0,0|1,0,1]=3 21 B10R0.75 C=CCCCC[C@H](N)C(=O)O DY703693 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.75 CSCCCC[C@H](N)C(=O)O DY628317 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.97 O=C(O)CCCCCC(=O)O NO19817 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.97 O=C(O)CCNCCC(=O)O DY700843 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.18 CC(=O)CC1CCNCC1 DY585280 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.18 CC(=O)N[C@@H]1CCCNC1 DY622929 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.18 O=C(O)CC1=CCCCC1 DY534213 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.18 O=C(O)CC1CCCCC1 NO10565 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.18 O=C(O)CC1CCCNC1 NO15743 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O DY585339 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.61 CC(=O)C1CCCCC1=O NO21211 [0,0,0,1,0,0|1,0,0]=2 32 B10R1.61 CC(=O)C1CCCCN1C DY559923 [0,0,0,1,0,0|1,0,1]=3 33 B10R1.61 CN1CCCCC1C(=O)O DY20434 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.61 CN1CCCC[C@H]1C(=O)O DY553905 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.61 NC(=O)C1CCCCC1=O DY756451 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.61 O=C(O)C1CCCCC1O NO21597 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.61 O=C(O)C1CCCCN1O DY542475 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.64 CN(C)CC1CCCC1=O DY604036 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.64 NC(=O)CN1CCCC1=O DY570129 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.64 O=C(O)CN1CCCC1=O NO20147 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.66 O=C(Cl)CCC1CCCC1 DY20931 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.348 O=C(O)C1CCCCCN1 DY558291 [0,0,0,1,0,0|2,0,1]=4 43 B7R0.1 C#CCCCCCC DY740767 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.1 C=CCCCCCBr NO19607 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.4 CC(=O)CCCCBr NO10627 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.4 CCCCCC(=O)Cl DY822275 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 CCCCCC(C)O NO21570 [2,0,0,0,0,0|0,0,2]=4 48 B7R0.4 CCCOCC(=O)O DY425744 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 CCCSCC(N)=O DY742801 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 CNCCCC(=O)O DY702793 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 O=C(Cl)CCCCCl DY460464 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.4 NCCCC(N)CC(=O)O DY583857 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.47 C=CCCC[C@@H](N)C(=O)O DY628077 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.47 CCCCCC(C)C(=O)O DY509948 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.47 CCCCCC(N)C(=O)O DY506843 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.47 NCCCCC(N)C(=O)O NO18635 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.47 NCCCCC(N)C(=O)O NO19277 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.47 NCCCC[C@@H](N)C(=O)O DY503163 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.47 NCCCC[C@@H](N)C(=O)O NO18638 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.47 NCCCC[C@H](N)C(=O)O DY20432 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.47 NCCCC[C@H](N)C(=O)O NO14946 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.47 NCCCC[C@H](N)C(=O)O NO19147 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.55 CC(=O)NCCCC(=O)O DY547305 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.55 O=C(O)CCCCC(=O)O DY522735 [1,1,0,0,0,0|2,0,0]=4 65 B11R0.30 N=C(N)NCCCCCC(=O)O DY797373 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl DY500511 [0,2,0,0,0,0|1,0,1]=4 67 B11R0.30 O=C(O)CCCCCCC(=O)O NO11964 [0,2,0,0,0,0|1,0,1]=4 68 B11R0.148 C=CCCCCCCCC(=O)O DY791529 [0,2,0,0,0,0|1,0,0]=3 69 B11R0.154 CCCCCC(O)CC(=O)OC DY569553 [0,2,0,0,0,0|0,0,2]=4 70 B11R0.106 CCC(C)CCCCC(=O)OC DY741127 [0,2,0,0,0,0|0,0,2]=4 71 B11R0.4 CCCCCCCC(=O)OCC NO14101 [0,2,0,0,0,0|0,0,2]=4 72 B11R0.4 CCOC(=O)CCCCCCN NO14103 [0,2,0,0,0,0|1,0,1]=4 73 B9R1.12 C=CCNC1CCCC1 DY585789 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.15 COC1CCCCC1=O DY822546 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.15 N#CC1CCCCC1=O DY33325 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.15 O=C1CCCCC1CO DY587110 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.50 O=C1CCCCCCN1 NO21316 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.6 CC(=O)C1C=CCCC1 DY430670 [1,0,0,1,0,0|0,0,0]=2 79 B9R1.6 CC(=O)C1CCCCN1 DY504771 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.6 CC(=O)C1CCOCC1 NO13055 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.6 CC(=O)[C@@H]1CCCOC1 DY585693 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.6 CC(=O)[C@H]1CCCOC1 DY585692 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.6 O=C(O)C1=CCCCC1 DY564789 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.6 O=C(O)C1CCCCN1 NO18433 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO13937 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO18418 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.6 O=C(O)[C@H]1CCCCN1 NO18416 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.7 CCC[C@H]1COC(=O)C1 DY426027 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.7 NCCC1CCC(=O)N1 DY667478 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.13 CC(=O)NC1CCCC1 DY544479 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.13 NC(=O)CC1CCCN1 DY586075 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.41 CC(=O)C1CCNC1=O DY548133 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.41 NC1CCCC1C(=O)O DY585767 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O DY550977 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.48 NC1CCCNC(=O)C1 DY743197 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.48 O=C1CCCCC(=O)C1 NO20375 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.48 O=C1CCCCC(=S)N1 DY568851 [1,0,0,1,0,0|2,0,0]=4 98 B11R1.53 CC(=O)N1CCCCC1CN DY632552 [0,1,0,1,0,0|1,0,1]=4 99 B11R1.78 CCCCCCC1CC(=O)C1 DY822476 [0,1,0,1,0,0|0,0,2]=4 100 B11R1.91 CC(=O)CCN1CCCCC1 DY638438 [0,1,0,1,0,0|0,0,2]=4 101 B11R1.91 CC(=O)NCC1CCCCN1 DY641678 [0,1,0,1,0,0|1,0,1]=4 102 B11R1.156 CC(=O)C1C(=O)CCCC1=O DY553467 [0,1,0,1,0,0|1,0,1]=4 103 B11R1.159 NC(=O)C1CCCC(Br)C1=O DY822736 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.25 COC(=O)CCC1CCNC1 DY586639 [0,1,0,1,0,0|1,0,1]=4 105 B11R1.222 COC(=O)C1CCCCN1C DY458573 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.222 COC(=O)C1CNCCC1=O DY640687 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.222 COC(=O)C1CNCCC1=O DY775168 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.222 COC(=O)C1CNCCC1=O NO11650 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N DY586587 [0,1,0,1,0,0|1,0,1]=4 110 B11R1.222 COC(=O)[C@H]1CCCC[C@H]1N DY586588 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.497 NC(=O)C1CCCCC(=O)N1 DY743383 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O NO12030 [0,1,0,1,0,0|2,0,0]=4 113 B11R2.1 CC1=C2CCCCC2=CN1 DY670209 [0,0,0,2,0,0|1,0,1]=4 114 B11R2.1 O=C1CNC2=C1CCCC2 DY728449 [0,0,0,2,0,0|1,0,1]=4 115 B11R2.67 O=C1CCC2CCC(=O)N12 DY534303 [0,0,0,2,0,0|2,0,0]=4 116 B11R2.845 CC(=O)C1CC2C=CC1C2 NO10188 [0,0,0,2,0,0|0,0,0]=2 117 B11R2.845 O=C(O)C1CC2C=CC1C2 NO13550 [0,0,0,2,0,0|1,0,0]=3 118 B11R2.845 O=C(O)C1CC2C=CC1O2 DY685770 [0,0,0,2,0,0|2,0,0]=4