0 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.97 CC(C)CCCCCC(=O)O D93038 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.97 O=C(Cl)CCCCCC(=O)Cl D82050 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.97 O=C(O)CCCCCC(=O)O D70876 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.97 O=C(O)CCSCCC(=O)O AT21042 [0,0,0,0,0,0|0,0,0]=0 5 B10R0.97 O=C(O)CSCSCC(=O)O D91293 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.2 NCCCCCCC(=O)O 33797 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 NCCCCCCC(=O)O F11866 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 O=C(O)CCCCCCBr F11868 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.2 O=C(O)CCCCCCO O11656 [1,0,0,0,0,0|1,0,1]=3 10 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O 22412 [0,1,0,0,0,0|3,0,0]=4 11 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O 27644 [0,1,0,0,0,0|3,0,0]=4 12 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O D71216 [0,1,0,0,0,0|3,0,0]=4 13 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O D89239 [0,1,0,0,0,0|3,0,0]=4 14 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O F16285 [0,1,0,0,0,0|1,0,0]=2 15 B11R0.85 O=C(O)CCC(=O)CCC(=O)O D84254 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O 28642 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O F10541 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O F10955 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O D82512 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O F17225 [0,0,0,1,0,0|2,0,0]=3 21 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O D85727 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.178 O=C(O)[C@H]1CCC[C@@H]1C(=O)O F14821 [0,0,0,1,0,0|1,0,0]=2 23 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O 11219 [0,0,0,1,0,0|1,0,0]=2 24 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [0,0,0,0,1,0|1,0,0]=2 25 B9R0.55 CC(=O)NCCCC(=O)O D87839 [0,0,0,0,1,0|2,0,0]=3 26 B9R0.55 CN(C)CCCCC(=O)O 29149 [0,0,0,0,1,0|3,0,0]=4 27 B9R0.55 CN(C)CCCCC(=O)O 31841 [0,0,0,0,1,0|3,0,0]=4 28 B9R0.55 N=C(N)NCCCC(=O)O D84250 [0,0,0,0,1,0|3,0,0]=4 29 B9R0.55 NC(=O)CCCCC(N)=O W18552 [0,0,0,0,1,0|2,0,0]=3 30 B9R0.55 O=C(Cl)CCCCC(=O)Cl D95337 [0,0,0,0,1,0|2,0,0]=3 31 B9R0.55 O=C(O)CCCCC(=O)O D70505 [0,0,0,0,1,0|0,0,0]=1 32 B9R0.55 O=C(O)CSSCC(=O)O AT13108 [0,0,0,0,1,0|1,0,0]=2 33 B9R0.55 O=C(O)C\C=C\CC(=O)O AT19968 [0,0,0,0,1,0|0,0,2]=3 34 B9R0.55 O=C([O-])CCCCC(=O)[O-] D88288 [0,0,0,0,1,0|0,0,2]=3 35 B11R0.30 CC(=O)NCCCCCC(=O)O D83405 [0,0,0,0,0,1|2,0,0]=3 36 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl D92254 [0,0,0,0,0,1|3,0,0]=4 37 B11R0.30 O=C(O)CCCCCCC(=O)O AC7522 [0,0,0,0,0,1|1,0,0]=2 38 B11R0.30 O=C(O)CCSSCCC(=O)O D71202 [0,0,0,0,0,1|0,0,0]=1 39 B11R0.30 O=C(O)CNCCNCC(=O)O F16748 [0,0,0,0,0,1|2,0,0]=3 40 B11R0.30 O=C(O)COCCOCC(=O)O 59606 [0,0,0,0,0,1|2,0,0]=3 41 B8R0.7 C#CCCCCC(=O)O 76366 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.7 C=CCCCCC(=O)O I11996 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.7 O=C(O)CCCCCBr F11242 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.7 O=C(O)CCCCCCl D77823 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.7 O=C(O)CCCCCO S10488 [2,0,0,0,0,0|0,0,1]=3 46 B8R0.7 O=C(O)CCNCCO D94998 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.7 O=C([O-])CCCCCO Y10610 [2,0,0,0,0,0|0,0,2]=4 48 B10R0.4 C=CCCCCCCC(=O)O I11998 [1,1,0,0,0,0|2,0,0]=4 49 B10R0.4 O=CCCCCCCC(=O)O D80547 [1,1,0,0,0,0|1,0,0]=3 50 B10R0.75 N[C@@H](CSCCCO)C(=O)O A11344 [1,1,0,0,0,0|0,0,1]=3 51 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O D91380 [0,1,0,0,1,0|0,0,0]=2 52 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 46018 [0,1,0,0,1,0|0,0,0]=2 53 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 46020 [0,1,0,0,1,0|0,0,0]=2 54 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 51942 [0,1,0,0,1,0|0,0,0]=2 55 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O H11928 [0,1,0,0,1,0|0,0,0]=2 56 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O F10994 [0,1,0,0,0,1|2,0,0]=4 57 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O 25800 [0,1,0,0,0,1|2,0,0]=4 58 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O D88405 [0,1,0,0,0,1|1,0,0]=3 59 B12R0.184 COC(=O)CCCCCCC(=O)O 35897 [0,1,0,0,0,1|1,0,0]=3 60 B12R0.184 COC(=O)CCCCCOC(C)=O D88424 [0,1,0,0,0,1|2,0,0]=4 61 B12R0.258 N[C@@H](CC(=O)O)C(=O)NCC(=O)O D81931 [0,2,0,0,0,0|2,0,0]=4 62 B12R0.139 N[C@@H](CC(=O)NCC(=O)O)C(=O)O D81930 [0,2,0,0,0,0|2,0,0]=4 63 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O D89595 [0,2,0,0,0,0|1,0,0]=3 64 B12R0.183 COC(=O)CCCCCC(=O)OC S12124 [0,2,0,0,0,0|1,0,0]=3 65 B12R0.183 COC(=O)CCSCCC(=O)OC 78947 [0,2,0,0,0,0|0,0,0]=2 66 B12R0.277 CCOC(=O)CCCCCC(=O)O H11366 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.61 O=C(O)C1CCCCC1O 26766 [1,0,0,1,0,0|1,0,1]=4 70 B10R1.64 O=C(O)CN1CCCC1=O 24490 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.348 O=C(O)[C@@H]1CNCCCO1 31447 [1,0,0,1,0,0|1,0,1]=4 72 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49444 [0,0,0,1,1,0|1,0,0]=3 73 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49447 [0,0,0,1,1,0|1,0,0]=3 74 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49449 [0,0,0,1,1,0|1,0,0]=3 75 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 26238 [0,0,0,1,1,0|2,0,0]=4 76 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O P20583 [0,0,0,1,1,0|2,0,0]=4 77 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O P10059 [0,0,0,1,1,0|0,0,0]=2 78 B12R1.261 CC(=O)N1CCCC[C@H]1C(=O)O 71828 [0,0,0,1,0,1|2,0,0]=4 79 B12R1.261 O=C(O)C1CC=CCC1C(=O)O D81847 [0,0,0,1,0,1|1,0,0]=3 80 B12R1.261 O=C(O)[C@H]1CC=CC[C@H]1C(=O)O W13844 [0,0,0,1,0,1|1,0,0]=3 81 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O 70698 [0,0,0,1,0,1|1,0,0]=3 82 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O 70702 [0,0,0,1,0,1|1,0,0]=3 83 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O F16347 [0,0,0,1,0,1|1,0,0]=3 84 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O D70598 [0,0,0,1,0,1|1,0,0]=3 85 B12R1.258 O=C(O)C1CCCC(C(=O)O)C1 39290 [0,1,0,1,0,0|1,0,0]=3 86 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C(=O)O)N1 D83887 [0,1,0,1,0,0|1,0,0]=3 87 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C(=O)O)C1 AC1031 [0,1,0,1,0,0|1,0,0]=3 88 B12R1.258 O=C(O)[C@H]1CCC[C@H](C(=O)O)C1 W15334 [0,1,0,1,0,0|1,0,0]=3 89 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)C1 67725 [0,1,0,1,0,0|1,0,0]=3 90 B8R0.28 CC(=O)CCCC(=O)O TD8115 [0,0,0,0,2,0|1,0,0]=3 91 B8R0.28 CC(=O)NCCC(=O)O 50398 [0,0,0,0,2,0|2,0,0]=4 92 B8R0.28 CC(=O)SCCC(=O)O N12196 [0,0,0,0,2,0|1,0,0]=3 93 B8R0.28 N=C(N)SCCC(=O)O C15948 [0,0,0,0,2,0|2,0,0]=4 94 B8R0.28 O=C(O)CCCC(=O)O D70283 [0,0,0,0,2,0|0,0,0]=2 95 B8R0.28 O=C(O)COCC(=O)O 73725 [0,0,0,0,2,0|0,1,0]=3 96 B8R0.28 O=C(O)CSCC(=O)O AT13116 [0,0,0,0,2,0|0,0,0]=2 97 B8R0.28 O=C(O)\C=C\CC(=O)O F21361 [0,0,0,0,2,0|0,0,2]=4 98 B12R0.268 O=C(O)CCCCCCCC(=O)O D70171 [0,0,0,0,0,2|1,0,0]=3 99 B12R0.268 O=C(O)CNCCCNCC(=O)O D92073 [0,0,0,0,0,2|1,0,0]=3