0 B27R3.25291420 CCC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)OC MCULE-1086960938 [0,0,0,0,0,0|1,0,0]=1 1 B27R3.25291420 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1 MCULE-2301132588 [0,0,0,0,0,0|0,0,0]=0 2 B27R3.25291420 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)NN MCULE-6079963497 [0,0,0,0,0,0|2,0,0]=2 3 B26R3.20360525 C=C(C)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)CC)OC2=C1 MCULE-7374244441 [1,0,0,0,0,0|2,0,0]=3 4 B26R3.20360525 C=C(C)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1 MCULE-5530434526 [1,0,0,0,0,0|1,0,0]=2 5 B26R3.20360525 CCC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)C MCULE-4320738488 [1,0,0,0,0,0|1,0,0]=2 6 B26R3.20360525 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)C MCULE-8865336369 [1,0,0,0,0,0|0,0,0]=1 7 B26R3.20360525 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)N MCULE-8166597934 [1,0,0,0,0,0|1,0,0]=2 8 B26R3.20360525 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)O MCULE-7737293750 [1,0,0,0,0,0|0,0,0]=1 9 B26R3.357660396 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Br)OC2=C1 MCULE-5363035204 [1,0,0,0,0,0|1,0,0]=2 10 B26R3.357660396 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C)OC2=C1 MCULE-7928050337 [1,0,0,0,0,0|0,0,0]=1 11 B26R3.357660396 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)OC2=C1 MCULE-9135000796 [1,0,0,0,0,0|1,0,0]=2 12 B26R3.357660396 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)F)OC2=C1 MCULE-6878445820 [1,0,0,0,0,0|1,0,0]=2 13 B26R3.357660396 NNC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)OC2=C1 MCULE-9315615666 [1,0,0,0,0,0|3,0,0]=4 14 B28R3.35488722 CCC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OC(C)C(=O)OC MCULE-7307446628 [0,1,0,0,0,0|1,0,0]=2 15 B28R3.35488722 COC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1 MCULE-9641066051 [0,1,0,0,0,0|0,0,0]=1 16 B28R3.124960498 CCOC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)OC MCULE-9736190632 [0,1,0,0,0,0|0,0,0]=1 17 B28R3.285377701 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1C MCULE-9448930331 [0,1,0,0,0,0|0,0,0]=1 18 B28R3.504927142 CCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)CC)OC2=C1 MCULE-4335479677 [0,1,0,0,0,0|1,0,0]=2 19 B28R3.504927142 CCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1 MCULE-7268517001 [0,1,0,0,0,0|0,0,0]=1 20 B28R3.568834751 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C(C)C)OC2=C1 MCULE-3397338911 [0,1,0,0,0,0|1,0,0]=2 21 B26R3.21258042 CCC(=O)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1 MCULE-6798148605 [0,0,0,0,1,0|1,0,0]=2 22 B28R3.285213898 CCC1=CC=C(C=C1)OC2=COC3=CC(=CC=C3C2=O)OCC(=O)OC MCULE-6354789916 [0,0,0,0,0,1|2,0,0]=3 23 B28R3.285213898 COC(=O)COC1=CC=C2C(=O)C(=COC2=C1)OC3=CC=C(C=C3)OC MCULE-1876773769 [0,0,0,0,0,1|1,0,0]=2 24 B25R3.43338338 C=C(C)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Br)OC2=C1 MCULE-8277133523 [2,0,0,0,0,0|2,0,0]=4 25 B25R3.43338338 C=C(C)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C)OC2=C1 MCULE-8090691986 [2,0,0,0,0,0|1,0,0]=3 26 B25R3.43338338 C=C(C)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)F)OC2=C1 MCULE-7583274726 [2,0,0,0,0,0|2,0,0]=4 27 B25R3.43338338 CC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Br)OC2=C1 MCULE-5702816996 [2,0,0,0,0,0|1,0,0]=3 28 B25R3.43338338 CC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C)OC2=C1 MCULE-2703767284 [2,0,0,0,0,0|0,0,0]=2 29 B25R3.43338338 CC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)OC2=C1 MCULE-3306746802 [2,0,0,0,0,0|1,0,0]=3 30 B25R3.43338338 CC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)F)OC2=C1 MCULE-5956068790 [2,0,0,0,0,0|1,0,0]=3 31 B25R3.43338338 CC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)O MCULE-9871984314 [2,0,0,0,0,0|0,0,0]=2 32 B25R3.43338338 NC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)OC2=C1 MCULE-7283806999 [2,0,0,0,0,0|2,0,0]=4 33 B25R3.43338338 NC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)F)OC2=C1 MCULE-6312073807 [2,0,0,0,0,0|2,0,0]=4 34 B25R3.43338338 O=C(O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)OC2=C1 MCULE-3621799628 [2,0,0,0,0,0|1,0,0]=3 35 B25R3.43338338 O=C(O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)F)OC2=C1 MCULE-8726038595 [2,0,0,0,0,0|1,0,0]=3 36 B25R3.274906353 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCCBr MCULE-8760905138 [2,0,0,0,0,0|1,0,1]=4 37 B25R3.43973349 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=CC=C3)OC2=C1 MCULE-6550893877 [2,0,0,0,0,0|0,0,0]=2 38 B25R3.43973349 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=CN=C3)OC2=C1 MCULE-9959988301 [2,0,0,0,0,0|1,0,0]=3 39 B27R3.8002576 C=C(C)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C(C)C)OC2=C1 MCULE-4904717273 [1,1,0,0,0,0|2,0,0]=4 40 B27R3.8002576 CC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C(C)C)OC2=C1 MCULE-5529765562 [1,1,0,0,0,0|1,0,0]=3 41 B27R3.8002576 CC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])OC2=C1 MCULE-1362764162 [1,1,0,0,0,0|2,0,0]=4 42 B27R3.8002576 O=C(O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)OC2=C1 MCULE-4571235706 [1,1,0,0,0,0|2,0,0]=4 43 B27R3.25291418 COC1=CC=C(C=C1)/C=C/2\OC3=CC(=CC=C3C2=O)OC(C)C(=O)O MCULE-5087652213 [1,1,0,0,0,0|0,0,0]=2 44 B27R3.25291418 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OC(C)C(=O)O MCULE-9406826967 [1,1,0,0,0,0|0,0,0]=2 45 B27R3.163503165 C=C(C)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OCC)OC2=C1 MCULE-2786919588 [1,1,0,0,0,0|1,0,0]=3 46 B27R3.163503165 CCOC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)C MCULE-8267709646 [1,1,0,0,0,0|0,0,0]=2 47 B27R3.191428336 COC1=CC=C(C=C1)C=C2OC3=C(C(=CC=C3C2=O)OCC(=O)C)C MCULE-5777837217 [1,1,0,0,0,0|0,0,0]=2 48 B27R3.191428336 COC1=CC=C(C=C1)C=C2OC3=C(C(=CC=C3C2=O)OCC(=O)N)C MCULE-7406764274 [1,1,0,0,0,0|1,0,0]=3 49 B27R3.25291419 CCC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC=C(C)C MCULE-1061066877 [1,1,0,0,0,0|2,0,0]=4 50 B27R3.25291419 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC=C(C)C MCULE-6905389855 [1,1,0,0,0,0|1,0,0]=3 51 B27R3.82705689 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3Cl)Cl)OC2=C1 MCULE-2159410187 [1,1,0,0,0,0|1,0,0]=3 52 B27R3.335308895 CCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Br)OC2=C1 MCULE-8306564444 [1,1,0,0,0,0|1,0,0]=3 53 B27R3.335308895 CCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C)OC2=C1 MCULE-9230403472 [1,1,0,0,0,0|0,0,0]=2 54 B27R3.335308895 CCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)OC2=C1 MCULE-7392869855 [1,1,0,0,0,0|1,0,0]=3 55 B27R3.335308895 CCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)F)OC2=C1 MCULE-1390261469 [1,1,0,0,0,0|1,0,0]=3 56 B27R3.375527448 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)OC2=C1 MCULE-2580557918 [1,1,0,0,0,0|1,0,0]=3 57 B27R3.1205051985 COC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Br)OC2=C1 MCULE-7675913688 [1,1,0,0,0,0|1,0,0]=3 58 B27R3.1205051985 COC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C)OC2=C1 MCULE-5474072029 [1,1,0,0,0,0|0,0,0]=2 59 B27R3.1205051985 COC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)OC2=C1 MCULE-4905417149 [1,1,0,0,0,0|1,0,0]=3 60 B27R3.1205051985 COC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)F)OC2=C1 MCULE-7422829050 [1,1,0,0,0,0|1,0,0]=3 61 B27R3.87124430 CCOC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OC(=O)CC MCULE-9175248891 [0,1,0,0,1,0|1,0,0]=3 62 B29R3.238497951 CCC1=CC=C(C=C1)OC2=COC3=CC(=CC=C3C2=O)OC(C)C(=O)OC MCULE-7982182520 [0,1,0,0,0,1|2,0,0]=4 63 B29R3.238497951 COC(=O)C(C)OC1=CC=C2C(=O)C(=COC2=C1)OC3=CC=C(C=C3)OC MCULE-6999596090 [0,1,0,0,0,1|1,0,0]=3 64 B29R3.4952037315 CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)CC MCULE-3305467047 [0,1,0,0,0,1|2,0,0]=4 65 B29R3.4952037315 CCOC(=O)COC1=CC=C2C(=O)C(=COC2=C1)OC3=CC=C(C=C3)OC MCULE-3424048559 [0,1,0,0,0,1|1,0,0]=3 66 B29R3.1280363651 CCOC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OC(C)C(=O)OC MCULE-7428396280 [0,2,0,0,0,0|0,0,0]=2 67 B29R3.2052386837 COC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C(C)C)OC2=C1 MCULE-8685335347 [0,2,0,0,0,0|1,0,0]=3 68 B29R3.2628178934 CCOC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)CC)OC2=C1 MCULE-4862520128 [0,2,0,0,0,0|1,0,0]=3 69 B29R3.2628178934 CCOC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1 MCULE-7554566228 [0,2,0,0,0,0|0,0,0]=2 70 B29R3.3453102441 COC(=O)C(C)OC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1C MCULE-3628661085 [0,2,0,0,0,0|0,0,0]=2 71 B29R3.3108911728 CCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OCC)OC2=C1 MCULE-7556113724 [0,2,0,0,0,0|0,0,0]=2 72 B29R3.5426909959 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)OC2=C1 MCULE-9932196555 [0,2,0,0,0,0|0,0,0]=2 73 B29R3.229462338 CCC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)OC(C)C MCULE-1272147849 [0,2,0,0,0,0|1,0,0]=3 74 B29R3.229462338 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OCC(=O)OC(C)C MCULE-6762115053 [0,2,0,0,0,0|0,0,0]=2 75 B29R3.694673609 CCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C(C)C)OC2=C1 MCULE-9055210836 [0,2,0,0,0,0|1,0,0]=3 76 B29R3.1109796071 CCCOC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)OC)OC2=C1 MCULE-2855914907 [0,2,0,0,0,0|0,0,0]=2 77 B29R3.845344384 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)OC2=C1 MCULE-6482937337 [0,2,0,0,0,0|1,0,0]=3 78 B29R3.2802321757 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C=C3OC)OC)OC2=C1 MCULE-7200475008 [0,2,0,0,0,0|0,0,0]=2 79 B29R3.2437314646 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(C(=C3)OC)OC)OC2=C1 MCULE-9837923866 [0,2,0,0,0,0|0,0,0]=2 80 B27R3.25356368 COC(=O)COC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)OC MCULE-5225630332 [0,0,1,1,0,0|0,0,0]=2 81 B29R4.761615463 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC4=C(C=C3)OCO4)OC2=C1 MCULE-5301807124 [0,1,0,1,0,0|0,0,0]=2 82 B25R3.2838262 COC1=CC=C(C=C1)C=C2OC3=CC(=CC=C3C2=O)OC(=O)C MCULE-7489855978 [1,0,0,0,1,0|0,0,0]=2 83 B25R3.301087842 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=C(O3)C)OC2=C1 MCULE-5724290057 [1,0,0,0,1,0|1,0,0]=3 84 B27R3.25278087 C=C(C)COC1=CC=C2C(=O)C(=COC2=C1)OC3=CC=C(C=C3)OC MCULE-4497284492 [1,0,0,0,0,1|2,0,0]=4 85 B27R3.25278087 COC1=CC=C(C=C1)OC2=COC3=CC(=CC=C3C2=O)OCC(=O)C MCULE-8782346753 [1,0,0,0,0,1|1,0,0]=3 86 B27R3.25278087 COC1=CC=C(C=C1)OC2=COC3=CC(=CC=C3C2=O)OCC(=O)N MCULE-8722438001 [1,0,0,0,0,1|2,0,0]=4 87 B27R3.25278087 COC1=CC=C(C=C1)OC2=COC3=CC(=CC=C3C2=O)OCC(=O)O MCULE-6212486995 [1,0,0,0,0,1|1,0,0]=3 88 B27R3.983165381 COC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Cl MCULE-1515956317 [1,0,0,0,0,1|2,0,0]=4 89 B27R3.983165381 COC(=O)COC1=CC=C2C(=O)C(=COC2=C1)OC3=CC=C(C=C3)C MCULE-8718914963 [1,0,0,0,0,1|1,0,0]=3 90 B27R3.191337288 CCC1=CC=C(C=C1)OC2=COC3=CC(=CC=C3C2=O)OC(=O)OC MCULE-1718136380 [0,0,0,0,1,1|2,0,0]=4 91 B27R3.191337288 COC(=O)OC1=CC=C2C(=O)C(=COC2=C1)OC3=CC=C(C=C3)OC MCULE-5221944663 [0,0,0,0,1,1|1,0,0]=3 92 B27R3.117334622 COC(=O)COC1=CC=C2C(=O)C(=CC3=CC=CC(=C3)OC)OC2=C1 MCULE-9207251938 [0,0,0,0,1,1|0,0,0]=2