0 B23R3.8234011 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=NC=CC=C3 MCULE-5992317316 [0,0,0,0,0,0|2,0,1]=3 1 B23R3.8234011 CC(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-3192928642 [0,0,0,0,0,0|1,0,1]=2 2 B23R3.8234011 CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 MCULE-4241728982 [0,0,0,0,0,0|0,0,0]=0 3 B22R3.7531071 CCOC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-7848980858 [1,0,0,0,0,0|0,0,0]=1 4 B24R3.51919 CC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)C MCULE-1549556030 [0,1,0,0,0,0|2,0,1]=4 5 B24R3.51919 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=CC=C3 MCULE-6858376459 [0,1,0,0,0,0|1,0,1]=3 6 B24R3.51919 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=NC=CC=C3 MCULE-4361560631 [0,1,0,0,0,0|2,0,1]=4 7 B24R3.51919 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(C)C)C3=CC=CC=C3 MCULE-3225468965 [0,1,0,0,0,0|0,0,0]=1 8 B24R3.11028780 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F MCULE-9384614492 [0,1,0,0,0,0|1,0,1]=3 9 B24R3.11028780 CC(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Br MCULE-3123069057 [0,1,0,0,0,0|1,0,1]=3 10 B24R3.11028780 CC(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Cl MCULE-3724046188 [0,1,0,0,0,0|1,0,1]=3 11 B24R3.11028780 CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F MCULE-7455024466 [0,1,0,0,0,0|0,0,0]=1 12 B24R3.14677988 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=C(C=CC=C3)Cl MCULE-3856374735 [0,1,0,0,0,0|1,0,1]=3 13 B24R3.14677988 CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3F MCULE-6185141513 [0,1,0,0,0,0|0,0,0]=1 14 B24R3.122667263 CS(=O)(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-8665970684 [0,1,0,0,0,0|2,0,0]=3 15 B24R3.122669050 CC(=O)OC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3)C MCULE-6231437477 [0,1,0,0,0,0|1,0,1]=3 16 B24R3.325334458 CCC(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-3605855471 [0,1,0,0,0,0|1,0,1]=3 17 B24R3.325334458 COC(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-7824139935 [0,1,0,0,0,0|1,0,1]=3 18 B22R2.748813 CCN(C(=O)C1=CC=C(C=C1)OC(C)C)C2=CC=CC=C2 MCULE-2768093171 [0,0,1,0,0,0|2,0,1]=4 19 B24R3.11831655 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3 MCULE-8606084965 [0,0,0,0,0,1|1,0,1]=3 20 B24R3.11831655 CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3 MCULE-6812786575 [0,0,0,0,0,1|0,0,0]=1 21 B24R3.134842178 C=C(C)COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 MCULE-9302148011 [0,0,0,0,0,1|0,0,2]=3 22 B24R3.134842178 NC(=O)COC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-9120776323 [0,0,0,0,0,1|2,0,1]=4 23 B24R3.134842178 O=C(O)COC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-7431720121 [0,0,0,0,0,1|2,0,1]=4 24 B21R2.401210 CC(C)OC1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2 MCULE-1469888431 [1,0,1,0,0,0|1,0,1]=4 25 B21R3.788229 COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=NC=CC=C3 MCULE-8368064716 [2,0,0,0,0,0|1,0,0]=3 26 B21R3.788229 COC1=CC2=C(C=C1)C(=O)C(CO2)C3=CC=CC=C3 MCULE-2823268443 [2,0,0,0,0,0|0,0,2]=4 27 B21R3.788229 COC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-8964848450 [2,0,0,0,0,0|0,0,0]=2 28 B23R3.39770 CC(=O)OC1=CC=C2C=C(C(=O)OC2=C1)C3=CC=CC=C3 MCULE-3967735213 [1,1,0,0,0,0|1,0,1]=4 29 B23R3.11383020 CCOC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3)C MCULE-4977318522 [1,1,0,0,0,0|0,0,0]=2 30 B23R3.11383316 CCOC1=CC=C2C(=C1)OC(=O)C(=C2C)C3=CC=CC=C3 MCULE-6371458724 [1,1,0,0,0,0|1,0,0]=3 31 B23R3.11383316 CCOC1=CC=C2C(=O)C(=C(OC2=C1)C)C3=CC=CC=C3 MCULE-5697364801 [1,1,0,0,0,0|0,0,0]=2 32 B23R3.21997938 N#CCOC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-1648282710 [1,1,0,0,0,0|0,0,1]=3 33 B23R3.21997938 O=C1C(=COC2=CC(=CC=C12)OCCBr)C3=CC=CC=C3 MCULE-8976633911 [1,1,0,0,0,0|0,0,0]=2 34 B23R3.98332085 CCOC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Br MCULE-6644553060 [1,1,0,0,0,0|0,0,0]=2 35 B23R3.98332085 CCOC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Cl MCULE-3235415029 [1,1,0,0,0,0|0,0,0]=2 36 B23R3.98332085 CCOC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)O MCULE-7373997663 [1,1,0,0,0,0|0,0,0]=2 37 B23R3.99231299 CCOC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3Cl MCULE-8709163336 [1,1,0,0,0,0|0,0,0]=2 38 B25R3.63329 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)OC3=CC=CC=C3 MCULE-3887761434 [0,1,0,0,0,1|1,0,1]=4 39 B25R3.63329 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(C)C)OC3=CC=CC=C3 MCULE-1901477377 [0,1,0,0,0,1|0,0,0]=2 40 B25R3.63329 CC1=C(C(=O)OC2=CC(=CC=C12)OC(C)C)CC3=CC=CC=C3 MCULE-4262721285 [0,1,0,0,0,1|1,0,0]=3 41 B25R3.28914868 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=C(C=CC=C3)F MCULE-8491596898 [0,1,0,0,0,1|1,0,1]=4 42 B25R3.28914868 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3C MCULE-3331570338 [0,1,0,0,0,1|1,0,1]=4 43 B25R3.28914868 CC(=O)OC1=CC=C2C(=O)C(=COC2=C1)OC3=CC=CC=C3Br MCULE-5930304680 [0,1,0,0,0,1|1,0,1]=4 44 B25R3.43355337 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Br MCULE-3460862177 [0,1,0,0,0,1|1,0,1]=4 45 B25R3.43355337 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C MCULE-8540016929 [0,1,0,0,0,1|1,0,1]=4 46 B25R3.43355337 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Cl MCULE-9750748651 [0,1,0,0,0,1|1,0,1]=4 47 B25R3.43355337 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)F MCULE-2819710743 [0,1,0,0,0,1|1,0,1]=4 48 B25R3.43355337 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)I MCULE-8656182638 [0,1,0,0,0,1|1,0,1]=4 49 B25R3.123677505 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC(=C3)C MCULE-4185539405 [0,1,0,0,0,1|1,0,1]=4 50 B25R3.142988997 CC(=O)OC1=C(C2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)C MCULE-4209019464 [0,1,0,0,0,1|1,0,1]=4 51 B25R3.309666425 NCC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3 MCULE-1788880131 [0,1,0,0,0,1|1,0,1]=4 52 B25R3.309666425 [NH3+]CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3 MCULE-3954551099 [0,1,0,0,0,1|1,0,1]=4 53 B25R3.63331 C=C(C)COC1=CC=C2C(=O)C(=C(OC2=C1)C)C3=CC=CC=C3 MCULE-7258614665 [0,1,0,0,0,1|0,0,2]=4 54 B25R3.13220928 C=C(C)COC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Br MCULE-9759555374 [0,1,0,0,0,1|0,0,2]=4 55 B25R3.13220928 C=C(C)COC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Cl MCULE-3429859185 [0,1,0,0,0,1|0,0,2]=4 56 B25R3.43973342 COC(=O)COC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-8768278774 [0,1,0,0,0,1|1,0,1]=4 57 B25R3.127808199 CN(C)C(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-9085636848 [0,1,0,0,0,1|1,0,0]=3 58 B25R3.119946849 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)F MCULE-7153402141 [0,2,0,0,0,0|1,0,1]=4 59 B25R3.119946849 CC(=O)OC1=CC=C2C(=O)C(=C(OC2=C1)C)C3=CC=C(C=C3)Br MCULE-3098872589 [0,2,0,0,0,0|1,0,1]=4 60 B25R3.119946849 CC(=O)OC1=CC=C2C(=O)C(=C(OC2=C1)C)C3=CC=C(C=C3)Cl MCULE-3192890591 [0,2,0,0,0,0|1,0,1]=4 61 B25R3.143584098 CC(=O)OC1=C(C2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=CC=C3)C MCULE-3055290907 [0,2,0,0,0,0|1,0,1]=4 62 B25R3.150160227 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=C(C=CC=C3)Cl MCULE-4199473742 [0,2,0,0,0,0|1,0,1]=4 63 B25R3.2843539 COC1=CC=C(C=C1)C2=COC3=CC(=CC=C3C2=O)OC(=O)C MCULE-8292814850 [0,2,0,0,0,0|1,0,1]=4 64 B25R3.13220946 CC(C)OC1=CC(=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)O)O MCULE-9387055734 [0,2,0,0,0,0|0,0,0]=2 65 B25R3.119954509 CS(=O)(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Br MCULE-6313300685 [0,2,0,0,0,0|2,0,0]=4 66 B25R3.119954509 CS(=O)(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Cl MCULE-5487871603 [0,2,0,0,0,0|2,0,0]=4 67 B25R3.932235820 CCC(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)Cl MCULE-9021048470 [0,2,0,0,0,0|1,0,1]=4 68 B25R3.89449348 COC1=C(C=CC=C1)C2=COC3=CC(=CC=C3C2=O)OC(=O)C MCULE-3262890779 [0,2,0,0,0,0|1,0,1]=4 69 B25R3.150182239 CC(=O)OC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=C(C=CC=C3)Cl)C MCULE-6058427641 [0,2,0,0,0,0|1,0,1]=4 70 B25R3.150182239 CC(=O)OC1=CC=C2C(=O)C(=COC2=C1C)C3=CC=CC=C3F MCULE-2983439538 [0,2,0,0,0,0|1,0,1]=4 71 B25R3.932384110 COC(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3Cl MCULE-4345851908 [0,2,0,0,0,0|1,0,1]=4 72 B25R3.57638084 CCOC(=O)OC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3 MCULE-3416486874 [0,2,0,0,0,0|1,0,1]=4 73 B23R3.1960450 CC(=O)OC1=CC=C2C(=O)C(=CC3=CC=CC=C3)OC2=C1 MCULE-2887864348 [0,0,1,1,0,0|1,0,1]=4 74 B23R3.11383023 CCOC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3 MCULE-4848170145 [1,0,0,0,0,1|0,0,0]=2 75 B25R3.127808210 CC(=CCOC1=CC=C2C(=O)C(=COC2=C1)C3=CC=CC=C3)C MCULE-7070801218 [0,0,0,0,0,2|0,0,1]=3