0 B9R0.19 CCOC(=O)C(C)(C)CN E46520 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.19 CCOC(=O)C(C)(C)CO E43892 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.3 C=C(CBr)C(=O)OCC E43400 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.3 C=C(CO)C(=O)OCC E41470 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.3 CCOC(=O)C(=O)CBr E15776 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.3 CCOC(=O)C(=O)CBr E2491 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [1,0,0,0,0,0|0,0,0]=1 9 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.13 COC(=O)C(C)(C)C#N M43383 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.13 COC(=O)C(C)(C)C=O M41471 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.13 COC(=O)C(C)(C)CN M43502 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.13 COC(=O)C(C)(C)CO M39204 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.14 CC(C)(C)C(=O)OCCl P69131 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.14 CC(C)(C)C(=O)OCI K62297 [1,0,0,0,0,0|2,0,0]=3 21 B10R0.36 CCOC(=O)C(C)(C)C(=O)O E36691 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.129 C=CCC(F)(F)C(=O)OCC E43722 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.401 CCOC(=O)C1(C)CCC1 E61724 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.405 CCOC(=O)C1(C#N)CC1 E46411 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.405 CCOC(=O)C1(CN)CC1 E65512 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.405 CCOC(=O)C1(CO)CC1 E43821 [0,0,0,1,0,0|2,0,0]=3 27 B10R0.7 CCOC(=O)CC(C)(C)CN D64492 [0,0,0,0,0,1|2,0,0]=3 28 B7R0.5 CC(C)C(=O)OCCl C24559 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.5 CCOC(=O)C(=O)O E36772 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.5 CCOC(=O)C(C)=O E60800 [2,0,0,0,0,0|0,0,2]=4 31 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [2,0,0,0,0,0|0,0,0]=2 33 B7R0.5 CCOC(=O)[C@H](C)F E41270 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.5 CCOC(=O)[C@H](C)S E40385 [2,0,0,0,0,0|0,1,0]=3 35 B7R0.7 CC#CC(=O)OCC E36835 [2,0,0,0,0,0|0,0,2]=4 36 B7R0.7 CCNC(=O)NCC D40424 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.7 CCOC(=O)CCBr E39188 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.7 CCOC(=O)CCI E41273 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.7 CCOC(=O)CCO E36682 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.7 CCOC(=O)CNC S69399 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.7 CCOC(=O)CNN E67459 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.7 CCOC(=O)CSC E40386 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.7 CCOC(=O)OCCl C38646 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.10 CCC(=O)C(=O)CC H41459 [2,0,0,0,0,0|0,0,2]=4 45 B7R0.10 CCC(=O)N(C)OC M40411 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.10 CC[C@H](N)C(=O)OC M40408 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.10 CC[C@H](N)C(=O)OC M41330 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.10 CC[C@H](N)C(=O)OC M41334 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.10 COC(=O)[C@@H](C)CO M25480 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.10 COC(=O)[C@@H](F)CO M60918 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.10 COC(=O)[C@@H](N)CO M68693 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.10 COC(=O)[C@@H](N)CO S64541 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.10 COC(=O)[C@@H](O)CN M61501 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.10 COC(=O)[C@@H](O)CO M40259 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.10 COC(=O)[C@H](C)CO M40393 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.10 COC(=O)[C@H](N)CCl M69012 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.10 COC(=O)[C@H](N)CS M69349 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.10 COC(=O)[C@H](O)CO M40258 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.13 CC(C)(CF)C(=O)O F41272 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.13 CC(C)(CO)C(=O)O H68365 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.14 CC(C)(O)C(=O)NN H39949 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.14 COC(=O)C(C)(C)F M41271 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.14 COC(=O)C(C)(C)N M67502 [2,0,0,0,0,0|1,0,0]=3 75 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [1,1,0,0,0,0|0,0,2]=4 76 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [1,1,0,0,0,0|0,0,1]=3 77 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [1,1,0,0,0,0|1,0,1]=4 79 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] E62825 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.23 CC(C)OC(=O)[C@@H](N)CO S60921 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.35 CCCC(=O)C(=O)OCC E43810 [1,1,0,0,0,0|0,0,2]=4 84 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [1,1,0,0,0,0|0,0,0]=2 85 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.35 CCOC(=N)C(=O)OCC E32050 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.37 CCOC(=O)C(CO)CO E64559 [1,1,0,0,0,0|1,0,0]=3 88 B9R0.37 CCOC(=O)[C@@H](C#N)CC E43773 [1,1,0,0,0,0|0,0,1]=3 89 B9R0.28 COC(=O)C(C)(C)C(C)=O M43815 [1,1,0,0,0,0|1,0,1]=4 90 B9R0.69 COC(=O)C(C)(OC)OC M41563 [1,1,0,0,0,0|1,0,0]=3 91 B11R0.240 C=C(Cl)CC(C)(C)C(=O)OCC E60568 [0,2,0,0,0,0|1,0,1]=4 92 B11R0.247 CCCCC(F)(F)C(=O)OCC E47090 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.5 CN1CCCCCC1=O M39292 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.5 N[C@H]1CCCCNC1=O A24830 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.5 N[C@H]1CCCCNC1=O A43463 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.73 CCOC(=N)C1CCC1 E64744 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.73 CCOC(=O)C1CNC1 E0677 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.74 CCOC(=O)C1(Br)CC1 E26278 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.74 CCOC(=O)C1(C)CC1 E43807 [1,0,0,1,0,0|0,0,0]=2 101 B9R1.74 CCOC(=O)C1(N)CC1 E67975 [1,0,0,1,0,0|1,0,0]=3 102 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [1,0,0,1,0,0|0,0,0]=2 103 B9R1.40 CC1(C)CCCOC1=O D63281 [1,0,0,1,0,0|1,0,0]=3 104 B9R1.40 CC1(C)CNCCC1=O D11692 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.40 CC1(C)COCCC1=O D24609 [1,0,0,1,0,0|2,0,0]=4 106 B11R1.840 CCOC(=O)CC1(N)COC1 E1943 [0,0,0,1,0,1|2,0,0]=4 107 B11R1.840 CCOC(=O)CC1(O)COC1 E21595 [0,0,0,1,0,1|1,0,0]=3 108 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 E47025 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.979 C[C@]1(O)C(=O)O[C@H](CO)[C@H]1O D41480 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.833 CCOC(=O)C1(C)CC(=O)C1 E14828 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](N)C1 E14830 [0,1,0,1,0,0|1,0,0]=3 112 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](O)C1 E14833 [0,1,0,1,0,0|1,0,0]=3 113 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 E14831 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 E14832 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.834 C=CC1CC1(N)C(=O)OCC E64161 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.834 C=C[C@@H]1C[C@]1(N)C(=O)OCC E60924 [0,1,0,1,0,0|1,0,1]=4 117 B11R1.831 CCOC(=O)C1(C#N)CCC1 E46927 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.831 CCOC(=O)C1(CO)CCC1 E61939 [0,1,0,1,0,0|0,0,0]=2 119 B9R0.34 CCOC(=O)CC(=O)CC E43812 [1,0,0,0,0,1|0,0,2]=4 120 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,0,0,0,0,1|1,0,0]=3 121 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,0,0,0,0,1|1,0,0]=3 122 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [1,0,0,0,0,1|2,0,0]=4 123 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [1,0,0,0,0,1|1,0,0]=3 124 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [1,0,0,0,0,1|0,0,0]=2 125 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [1,0,0,0,0,1|1,1,0]=4