0 B12R0.69 CCCC(=O)OC(C)C(=O)OCC TS50728 [0,0,0,0,0,0|3,0,0]=3 1 B12R0.69 CCOC(=O)CC(=C)C(=O)OCC TS48869 [0,0,0,0,0,0|1,0,1]=2 2 B12R0.69 CCOC(=O)CC(=O)C(=O)OCC TS15931 [0,0,0,0,0,0|0,0,2]=2 3 B12R0.69 CCOC(=O)CC(=O)C(=O)OCC TS20857 [0,0,0,0,0,0|0,0,2]=2 4 B12R0.69 CCOC(=O)C[C@@H](C(=O)OCC)N TS24071 [0,0,0,0,0,0|1,0,0]=1 5 B12R0.69 CCOC(=O)C[C@@H](C(=O)OCC)O TS51067 [0,0,0,0,0,0|0,0,0]=0 6 B11R0.62 CCOC(=O)C#CC(=O)OCC TS16804 [1,0,0,0,0,0|0,0,2]=3 7 B11R0.62 CCOC(=O)C=CC(=O)OCC TS45436 [1,0,0,0,0,0|0,0,2]=3 8 B11R0.62 CCOC(=O)C=CC(=O)OCC TS45444 [1,0,0,0,0,0|0,0,2]=3 9 B11R0.62 CCOC(=O)CCC(=O)OCC TS45753 [1,0,0,0,0,0|0,0,0]=1 10 B11R0.62 CCOC(=O)N=NC(=O)OCC TS55866 [1,0,0,0,0,0|2,0,0]=3 11 B11R0.62 CCOC(=O)NNC(=O)OCC TS13798 [1,0,0,0,0,0|2,0,0]=3 12 B11R0.155 CCCCCC(C(=O)OCC)Br TS26011 [1,0,0,0,0,0|2,0,1]=4 13 B13R0.225 CCOC(=O)CC(C#N)C(=O)OCC TS18793 [0,1,0,0,0,0|1,0,0]=2 14 B13R0.674 CCOC(=O)C(C(=O)C(=O)OCC)Cl TS50223 [0,1,0,0,0,0|0,0,2]=3 15 B13R0.674 CCOC(=O)C(C)C(=O)C(=O)OCC TS19350 [0,1,0,0,0,0|0,0,2]=3 16 B13R0.674 CCOC(=O)C(C)C(C(=O)OCC)O TS38591 [0,1,0,0,0,0|0,0,0]=1 17 B13R0.674 CCOC(=O)[C@@H]([C@H](C(=O)OCC)O)O TS74513 [0,1,0,0,0,0|0,0,0]=1 18 B13R0.674 CCOC(=O)[C@H]([C@@H](C(=O)OCC)O)O TS46517 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.470 CCOC(=O)CC1C(=O)NCCN1 TS55903 [0,0,0,1,0,0|2,0,0]=3 20 B13R1.1515 CCOC(=O)C1CC1C(=O)OCC TS15595 [0,0,0,1,0,0|1,0,0]=2 21 B13R1.1515 CCOC(=O)[C@@H]1[C@H](O1)C(=O)OCC TS55854 [0,0,0,1,0,0|0,0,0]=1 22 B13R1.1515 CCOC(=O)[C@H]1[C@@H](O1)C(=O)OCC TS50667 [0,0,0,1,0,0|0,0,0]=1 23 B11R0.177 CCCC(=O)C(C)C(=O)OCC TS13177 [0,0,0,0,1,0|2,0,0]=3 24 B11R0.177 CCOC(=O)C(=C)C(=O)OCC TS45425 [0,0,0,0,1,0|1,0,1]=3 25 B11R0.177 CCOC(=O)C(=O)C(=O)OCC TS22796 [0,0,0,0,1,0|0,0,2]=3 26 B11R0.177 CCOC(=O)C(C(=O)OCC)Br TS39844 [0,0,0,0,1,0|1,0,0]=2 27 B11R0.177 CCOC(=O)C(C(=O)OCC)Cl TS09044 [0,0,0,0,1,0|1,0,0]=2 28 B11R0.177 CCOC(=O)C(C(=O)OCC)F TS01432 [0,0,0,0,1,0|1,0,0]=2 29 B11R0.177 CCOC(=O)C(C(=O)OCC)N TS01344 [0,0,0,0,1,0|1,0,0]=2 30 B11R0.177 CCOC(=O)C(C(=O)OCC)N TS59937 [0,0,0,0,1,0|1,0,0]=2 31 B11R0.177 CCOC(=O)C(C)C(=O)COC TS45751 [0,0,0,0,1,0|3,0,0]=4 32 B11R0.177 CCOC(=O)C(C)C(=O)OCC TS01435 [0,0,0,0,1,0|1,0,0]=2 33 B13R0.18 CCOC(=O)CCC(=O)C(=O)OCC TS19346 [0,0,0,0,0,1|0,0,2]=3 34 B13R0.18 CCOC(=O)CCC(C)C(=O)OCC TS38281 [0,0,0,0,0,1|1,0,0]=2 35 B13R0.18 CCOC(=O)CC[C@@H](C(=O)OCC)N TS57292 [0,0,0,0,0,1|1,0,0]=2 36 B13R0.18 CCOC(=O)CNC(=O)C(=O)OCC TS19543 [0,0,0,0,0,1|0,0,2]=3 37 B13R0.89 CCOC(=O)CC(=O)CC(=O)OCC TS55857 [0,0,0,0,0,1|0,0,2]=3 38 B13R0.89 CCOC(=O)CC(C)CC(=O)OCC TS38278 [0,0,0,0,0,1|1,0,0]=2 39 B13R0.89 CCOC(=O)CC(CC(=O)OCC)O TS55863 [0,0,0,0,0,1|0,0,0]=1 40 B10R0.1 CCCCCCC(=O)OCC TS11034 [2,0,0,0,0,0|1,0,1]=4 41 B10R0.2 CCCC(CC(=O)OCC)O TS11265 [2,0,0,0,0,0|0,0,1]=3 42 B10R0.2 CCOC(=N)CC(=O)OCC TS64888 [2,0,0,0,0,0|1,0,1]=4 43 B10R0.2 CCOC(=O)CC(=O)OCC TS42278 [2,0,0,0,0,0|0,0,2]=4 44 B10R0.2 CCOC(=O)CC(=O)OCC TS74525 [2,0,0,0,0,0|0,0,2]=4 45 B10R0.19 CCCCC(C(=O)OCC)Br TS50262 [2,0,0,0,0,0|1,0,1]=4 46 B10R0.32 CCOC(=O)C(=O)CC(=O)C TS59537 [2,0,0,0,0,0|0,0,2]=4 47 B10R0.46 CC(CC(=O)OC)C(=O)OC TS11214 [2,0,0,0,0,0|1,0,0]=3 48 B10R0.46 COC(=O)CC(=C)C(=O)OC TS10956 [2,0,0,0,0,0|1,0,1]=4 49 B10R0.46 COC(=O)CC(C(=O)OC)O TS42393 [2,0,0,0,0,0|0,0,0]=2 50 B10R0.46 COC(=O)C[C@@H](C(=O)OC)N TS77145 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.46 COC(=O)C[C@@H](C(=O)OC)O TS42399 [2,0,0,0,0,0|0,0,0]=2 52 B10R0.46 COC(=O)C[C@H](C(=O)OC)N TS16797 [2,0,0,0,0,0|1,0,0]=3 53 B10R0.46 COC(=O)C[C@H](C(=O)OC)O TS42404 [2,0,0,0,0,0|0,0,0]=2 54 B10R0.46 C[C@@H](CC(=O)OC)C(=O)OC TS11216 [2,0,0,0,0,0|1,0,0]=3 55 B10R0.46 C[C@H](CC(=O)OC)C(=O)OC TS11226 [2,0,0,0,0,0|1,0,0]=3 56 B10R0.108 CCOC(=O)CCC(=O)C=C TS10670 [2,0,0,0,0,0|0,0,2]=4 57 B10R0.108 CCOC(=O)CNC(=O)CCl TS47795 [2,0,0,0,0,0|2,0,0]=4 58 B10R0.108 CCOC(=O)CNC(=O)CN TS53774 [2,0,0,0,0,0|2,0,0]=4 59 B12R0.8 CCC(C(=O)OCC)C(=O)OCC TS39659 [0,1,0,0,1,0|1,0,0]=3 60 B12R0.8 CCOC(=O)C(=CC)C(=O)OCC TS48865 [0,1,0,0,1,0|1,0,1]=4 61 B12R0.8 CCOC(=O)C(=CCl)C(=O)OCC TS39105 [0,1,0,0,1,0|1,0,1]=4 62 B12R0.8 CCOC(=O)C(=CN)C(=O)OCC TS55865 [0,1,0,0,1,0|1,0,1]=4 63 B12R0.731 CCOC(=O)C(C(=O)OCC)(Br)Br TS76929 [0,1,0,0,1,0|1,0,0]=3 64 B12R0.731 CCOC(=O)C(C(=O)OCC)(F)Br TS29004 [0,1,0,0,1,0|1,0,0]=3 65 B12R0.731 CCOC(=O)C(C(=O)OCC)(F)F TS53607 [0,1,0,0,1,0|1,0,0]=3 66 B12R0.731 CCOC(=O)C(C)(C(=O)OCC)Br TS63218 [0,1,0,0,1,0|1,0,0]=3 67 B12R0.731 CCOC(=O)C(C)(C(=O)OCC)F TS17445 [0,1,0,0,1,0|1,0,0]=3 68 B12R0.731 CCOC(=O)C(C)(C(=O)OCC)O TS55862 [0,1,0,0,1,0|0,0,0]=2 69 B12R0.731 CCOC(=O)C(C)(C)C(=O)OCC TS50719 [0,1,0,0,1,0|1,0,0]=3 70 B12R0.731 [2H]C([2H])(C(=O)OCC)C(=O)OCC TS11528 [0,1,0,0,1,0|1,0,0]=3 71 B14R0.1299 C=CCOC(=O)CC(C(=O)OCC=C)O TS21644 [0,2,0,0,0,0|0,0,2]=4 72 B14R0.69 CC(C)OC(=O)CC(=C)C(=O)OC(C)C TS44511 [0,2,0,0,0,0|1,0,1]=4 73 B14R0.69 CC(C)OC(=O)C[C@@H](C(=O)OC(C)C)O TS22398 [0,2,0,0,0,0|0,0,0]=2 74 B14R0.713 CCOC(=O)CC(=C(C)C)C(=O)OCC TS44510 [0,2,0,0,0,0|1,0,1]=4 75 B14R0.713 CCOC(=O)CC(C(=O)C)C(=O)OCC TS22025 [0,2,0,0,0,0|0,0,1]=3 76 B14R0.1771 CCOC(=O)C(C#N)C(=O)C(=O)OCC TS21472 [0,2,0,0,0,0|0,0,2]=4 77 B12R1.32 CCOC(=O)CC1CNCCO1 TS13343 [1,0,0,1,0,0|1,0,1]=4 78 B12R1.32 CCOC(=O)CC1COCCN1 TS13334 [1,0,0,1,0,0|1,0,1]=4 79 B12R1.308 CCOC(=O)C1CCCCC1O TS13181 [1,0,0,1,0,0|1,0,1]=4 80 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O TS13180 [1,0,0,1,0,0|1,0,1]=4 81 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O TS13183 [1,0,0,1,0,0|1,0,1]=4 82 B12R1.17 CCOC(=O)C1CCCC(=O)C1 TS59775 [1,0,0,1,0,0|1,0,0]=3 83 B12R1.371 COC(=O)CC1C(=O)NCCN1 TS13148 [1,0,0,1,0,0|2,0,0]=4 84 B12R1.318 CCOC(=O)CC1CCCC1=O TS64887 [1,0,0,1,0,0|1,0,0]=3 85 B12R1.55 CCOC(=O)C(C1CCOC1)N TS90472 [1,0,0,1,0,0|1,0,1]=4 86 B12R1.1595 CCOC(=O)C1(CCCCC1)O TS13189 [1,0,0,1,0,0|1,0,1]=4 87 B12R1.1446 CCOC(=O)C(C)C(=O)C1CC1 TS12801 [0,0,0,1,1,0|2,0,0]=4 88 B10R0.35 CCC(=O)C(C(=O)OCC)F TS42428 [1,0,0,0,1,0|1,0,0]=3 89 B12R0.285 CCOC(=O)CC=CC(=O)OCC TS15594 [1,0,0,0,0,1|0,0,1]=3 90 B12R0.285 CCOC(=O)CCCC(=O)OCC TS15979 [1,0,0,0,0,1|0,0,0]=2 91 B12R0.285 CCOC(=O)CNCC(=O)OCC TS50902 [1,0,0,0,0,1|0,0,0]=2 92 B12R0.285 CCOC(=O)NCNC(=O)OCC TS17067 [1,0,0,0,0,1|1,0,0]=3 93 B14R0.33 CCOC(=O)CCC(=O)CC(=O)OCC TS22024 [0,0,0,0,0,2|0,0,2]=4