0 B10R0.74 CCCCCC#CC(=O)OC D70492 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.74 CCCCCCCC(=O)NN 23135 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 CCCCCCCC(=O)NO 35665 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.74 CCCCCCCC(=O)NO D89270 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.74 COC(=O)CCCCCCBr F11980 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.74 COC(=O)CCCCCCN 67874 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.2 CC(=O)NCCCCCN F14796 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 CC(=O)OCCCCCBr D70120 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 CCCCCCCC(N)=O D91840 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.2 COCCCCOC(C)=O D88465 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.2 NCCCCCCC(=O)O 33797 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.2 NCCCCCCC(=O)O F11866 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.2 O=C(O)CCCCCCBr F11868 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.2 O=C(O)CCCCCCO O11656 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.46 CCCCCCC(=O)OC D90782 [1,0,0,0,0,0|0,0,1]=2 15 B9R0.46 COC(=O)CCCCC=O C76096 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.46 COC(=O)CCCCCBr AC7709 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.46 COC(=O)CCCCCN 24451 [1,0,0,0,0,0|1,0,1]=3 18 B9R0.46 COC(=O)CCCCCO D97618 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.4 C=COC(=O)CCCCCCC D84790 [0,1,0,0,0,0|0,0,3]=4 20 B11R0.4 CC=CC(=O)OCCCCCC D95666 [0,1,0,0,0,0|2,0,1]=4 21 B11R0.4 CCCCCCOC(=O)COC D81462 [0,1,0,0,0,0|1,0,1]=3 22 B11R0.4 CCOC(=O)CCCCCCBr F11933 [0,1,0,0,0,0|1,0,2]=4 23 B11R0.4 CCOC(=O)CCCCCCN 34353 [0,1,0,0,0,0|1,0,2]=4 24 B11R0.40 CCCCCCC#CC(=O)OC D91742 [0,1,0,0,0,0|0,0,0]=1 25 B11R0.40 CCCCCCCCC(=O)OC D91668 [0,1,0,0,0,0|0,0,2]=3 26 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [0,1,0,0,0,0|0,0,2]=3 27 B11R0.42 CCCCCCCC(=O)N(C)C S10478 [0,1,0,0,0,0|1,0,2]=4 28 B11R0.142 CCCCCC[C@H](Br)C(=O)OC AC8734 [0,1,0,0,0,0|0,0,2]=3 29 B11R1.25 COC(=O)CNC1CCCC1 36181 [0,0,0,1,0,0|1,0,1]=3 30 B11R1.25 COC(=O)\C=C\C1CCCC1 W11685 [0,0,0,1,0,0|0,0,2]=3 31 B11R1.27 CCCCC[C@H]1CCC(=O)O1 D70273 [0,0,0,1,0,0|2,0,1]=4 32 B11R1.40 COC(=O)C=C1CCOCC1 21174 [0,0,0,1,0,0|1,0,2]=4 33 B11R1.40 COC(=O)CC1CCCCC1 F14170 [0,0,0,1,0,0|0,0,2]=3 34 B11R1.40 COC(=O)CC1CCNCC1 69553 [0,0,0,1,0,0|1,0,2]=4 35 B11R1.40 COC(=O)CC1CCNCC1 69554 [0,0,0,1,0,0|1,0,2]=4 36 B11R1.40 COC(=O)CC1CCOCC1 20899 [0,0,0,1,0,0|1,0,2]=4 37 B11R1.40 COC(=O)CN1CCNCC1 AB10052 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.40 COC(=O)CN1CCOCC1 H10557 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.40 COC(=O)C[C@H]1CCCNC1 22934 [0,0,0,1,0,0|1,0,2]=4 40 B11R1.222 COC(=O)[C@@H]1CCCCN1C D95653 [0,0,0,1,0,0|1,0,2]=4 41 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O D83889 [0,0,0,1,0,0|1,0,2]=4 42 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC2994 [0,0,0,1,0,0|2,0,1]=4 43 B8R0.4 CCCCC\C=C\C=O D91827 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.7 CC(=O)OCCCCBr F16811 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.7 CC(=O)OCCCCCl H10679 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.7 CCCCCCC(=O)Cl A10863 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.7 CCCCCCC(=O)[O-] D90422 [2,0,0,0,0,0|0,0,2]=4 48 B8R0.7 CCCCCCC(N)=O D93021 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.7 CCCCCOC(=O)Cl D89273 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.7 CCCCOCC(=O)O AC1559 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.7 CCCC\C=C\C(=O)O D90864 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.7 CSCCCOC(C)=O D91595 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.7 O=C(O)CCCCCBr F11242 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.7 O=C(O)CCCCCCl D77823 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.7 O=C(O)CCCCCO S10488 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.6 C#CCCCC(=O)OC C90747 [2,0,0,0,0,0|0,0,2]=4 57 B8R0.6 C=CC(=O)CCCCC D71008 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.6 C=CCCCC(=O)OC H11902 [2,0,0,0,0,0|0,0,2]=4 59 B8R0.6 CCCCNC(=O)CC D88679 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.6 CCC\C=C\C(=O)OC 28979 [2,0,0,0,0,0|0,0,2]=4 61 B8R0.6 CCC\C=C\C(=O)OC AC7684 [2,0,0,0,0,0|0,0,2]=4 62 B8R0.6 CCNCCC(=O)OC 31591 [2,0,0,0,0,0|1,0,0]=3 63 B8R0.6 CC\C=C\CC(=O)OC D93382 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.6 CNCCCC(=O)OC AB9747 [2,0,0,0,0,0|1,0,0]=3 65 B8R0.6 COC(=O)CCCC#N 32622 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.6 COC(=O)CCCCBr 76669 [2,0,0,0,0,0|1,0,0]=3 67 B8R0.6 COC(=O)CCCCCl D75917 [2,0,0,0,0,0|1,0,0]=3 68 B8R0.6 COC(=O)CCCCN 76218 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.6 COC(=O)COCCCl 39408 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.6 COCCCC(=O)OC F14920 [2,0,0,0,0,0|1,0,0]=3 71 B10R0.3 CCC[C@H](S)CCOC(C)=O D91605 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.4 CCCCCCCCC(C)=O D89897 [1,1,0,0,0,0|0,0,2]=4 73 B10R0.4 NCCCCCCCC(=O)O 52148 [1,1,0,0,0,0|0,0,2]=4 74 B10R0.4 O=C(O)CCCCCCCBr C10414 [1,1,0,0,0,0|0,0,2]=4 75 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [1,1,0,0,0,0|0,0,2]=4 76 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [1,1,0,0,0,0|0,0,2]=4 77 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [1,1,0,0,0,0|0,0,2]=4 78 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [1,1,0,0,0,0|0,0,2]=4 79 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [1,1,0,0,0,0|0,0,2]=4 80 B10R0.97 CC(C)CCCCCC(=O)O D93038 [1,1,0,0,0,0|0,0,2]=4 81 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [1,1,0,0,0,0|0,0,2]=4 82 B10R0.83 COC(=O)[C@@H](N)CCCCN F10815 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.83 COC(=O)[C@@H](N)CCCCN F10989 [1,1,0,0,0,0|1,0,1]=4 84 B12R0.1 CCCCCCCCC(=O)OCC D70268 [0,2,0,0,0,0|0,0,2]=4 85 B12R0.1 CCOC(=O)CCCCCCCBr 36210 [0,2,0,0,0,0|0,0,2]=4 86 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC D70580 [0,2,0,0,0,0|0,0,2]=4 87 B12R0.206 CCCCCCCC(=O)OCCC D92187 [0,2,0,0,0,0|0,0,2]=4 88 B12R0.248 C=CCCCCCCCC(=O)OC A11197 [0,2,0,0,0,0|0,0,2]=4 89 B12R0.248 COC(=O)CCCCCCCCO S10650 [0,2,0,0,0,0|0,0,2]=4 90 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [1,0,0,1,0,0|0,0,2]=4 91 B10R1.18 O=C(O)C=C1CCCCC1 A51178 [1,0,0,1,0,0|0,0,2]=4 92 B10R1.18 O=C(O)CC1CCCCC1 F11130 [1,0,0,1,0,0|0,0,2]=4 93 B10R1.18 O=C(O)CN1CCCCC1 29815 [1,0,0,1,0,0|1,0,1]=4 94 B10R1.18 O=C(O)CN1CCCCC1 D83454 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.18 O=C(O)CN1CCCCC1 D97813 [1,0,0,1,0,0|1,0,1]=4 96 B10R1.66 O=C(O)CCC1CCCC1 73318 [1,0,0,1,0,0|0,0,2]=4 97 B10R1.66 O=C(O)COC1CCCC1 30678 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.66 O=C(O)\C=C\C1CCCC1 W11636 [1,0,0,1,0,0|0,0,2]=4 99 B10R1.126 O=C(O)CCCCC1CC1 D84271 [1,0,0,1,0,0|0,0,2]=4 100 B10R1.348 O=C(O)C1CCCCCC1 O11712 [1,0,0,1,0,0|0,0,2]=4 101 B10R1.1 CCCC1CCC(=O)CC1 65224 [1,0,0,1,0,0|1,0,1]=4 102 B10R1.15 COC(=O)C1=CCCCC1 O11977 [1,0,0,1,0,0|0,0,2]=4 103 B10R1.15 COC(=O)C1CCCCC1 D77686 [1,0,0,1,0,0|0,0,1]=3 104 B10R1.15 COC(=O)C1CCNCC1 64367 [1,0,0,1,0,0|1,0,1]=4 105 B10R1.15 COC(=O)C1CCNCC1 F11229 [1,0,0,1,0,0|1,0,1]=4 106 B10R1.15 COC(=O)C1CCOCC1 63174 [1,0,0,1,0,0|1,0,1]=4 107 B10R1.15 COC(=O)N1CCNCC1 63508 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.15 COC(=O)[C@@H]1CCCCN1 26190 [1,0,0,1,0,0|1,0,1]=4 109 B10R1.15 COC(=O)[C@@H]1CCCCN1 33254 [1,0,0,1,0,0|1,0,1]=4 110 B10R1.15 COC(=O)[C@@H]1CCCCN1 68797 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.15 COC(=O)[C@@H]1CCCCN1 C10695 [1,0,0,1,0,0|1,0,1]=4 112 B10R1.15 COC(=O)[C@@H]1CCCCO1 31348 [1,0,0,1,0,0|1,0,1]=4 113 B10R1.15 COC(=O)[C@H]1CCCNC1 26438 [1,0,0,1,0,0|1,0,1]=4 114 B10R1.15 COC(=O)[C@H]1CCCNC1 64008 [1,0,0,1,0,0|1,0,1]=4 115 B10R1.15 COC(=O)[C@H]1CCCNC1 78888 [1,0,0,1,0,0|1,0,1]=4 116 B10R1.15 COC(=O)[C@H]1CCCNC1 AB1541 [1,0,0,1,0,0|1,0,1]=4 117 B10R1.15 COC(=O)[C@H]1CCCOC1 SC3171 [1,0,0,1,0,0|1,0,1]=4 118 B10R1.27 COC(=O)CC1CCCC1 F11964 [1,0,0,1,0,0|0,0,1]=3 119 B10R1.153 COC(=O)CCNC1CC1 32671 [1,0,0,1,0,0|1,0,1]=4 120 B12R1.32 CCOC(=O)CN1CCCCC1 AC2282 [0,1,0,1,0,0|1,0,1]=4 121 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O 63241 [0,1,0,1,0,0|0,0,2]=4 122 B12R1.477 COC(=O)CCNC1CCCC1 24505 [0,1,0,1,0,0|0,0,2]=4 123 B12R1.50 COC(=O)CC1CCCC(O)C1 32694 [0,1,0,1,0,0|0,0,2]=4 124 B12R1.34 COC(=O)C(=O)C1CCCCC1 P13986 [0,1,0,1,0,0|0,0,2]=4 125 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 76587 [0,1,0,1,0,0|0,0,2]=4 126 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 F14486 [0,1,0,1,0,0|0,0,2]=4 127 B12R1.3524 COC(=O)CC1(N)CCCCC1 63919 [0,1,0,1,0,0|0,0,2]=4 128 B12R2.24 O=C1CCC2CCCCC2O1 D73280 [0,0,0,2,0,0|0,0,2]=4