0 B24R4.3643687 CC1=C2C3=CC=CC=C3C=CC2=NC(=C1)C4=CC=CC=C4 MCULE-1781340805 [0,0,0,0,0,0|2,0,0]=2 1 B24R4.3643687 O=C1C=C(OC2=CC=C3C=CC=CC3=C12)C4=CC=CC=C4 MCULE-3119132003 [0,0,0,0,0,0|0,0,0]=0 2 B24R4.3643687 O=C1CC(NC2=C1C3=C(C=CC=C3)C=C2)C4=CC=CN=C4 MCULE-9009726408 [0,0,0,0,0,0|2,0,2]=4 3 B24R4.3643687 O=C1CC(OC2=CC=C3C=CC=CC3=C12)C4=CC=CC=C4 MCULE-2530592174 [0,0,0,0,0,0|0,0,2]=2 4 B23R4.1520648 C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C=CC=C4)C=C3 MCULE-6541465327 [1,0,0,0,0,0|1,0,0]=2 5 B23R4.1520648 C1=CC=C(C=C1)C2=NC3=C(C=C2)C4=C(C=CC=C4)CC3 MCULE-5170137013 [1,0,0,0,0,0|1,0,2]=4 6 B23R4.1520648 C1=CC=C(C=C1)C2=NC3=C(C=N2)C4=C(C=CC=C4)C=C3 MCULE-3729768764 [1,0,0,0,0,0|2,0,0]=3 7 B25R4.19541572 CC1=C(C=CC=C1)C2CC(=O)C3=C(N2)C=CC4=C3C=CC=C4 MCULE-3697352804 [0,1,0,0,0,0|1,0,2]=4 8 B25R4.19541572 CC1=CC(=NC2=CC=C3C=CC=CC3=C12)C4=C(C=CC=C4)C MCULE-1062767695 [0,1,0,0,0,0|2,0,0]=3 9 B25R4.19541572 CC1=CC(=NC2=CC=C3C=CC=CC3=C12)C4=CC=CC=C4O MCULE-7429632548 [0,1,0,0,0,0|2,0,0]=3 10 B25R4.19541572 O=C1C=C(OC2=C1C3=C(C=CC=C3)C=C2)C4=C(C=CC=C4)O MCULE-3298073371 [0,1,0,0,0,0|0,0,0]=1 11 B25R4.19541572 O=C1CC(NC2=CC=C3C=CC=CC3=C12)C4=C(C=CC=C4)F MCULE-4835867292 [0,1,0,0,0,0|1,0,2]=4 12 B25R4.65780474 CC1=C2C3=CC=CC=C3C=CC2=NC(=C1)C4=CC=C(C=C4)Br MCULE-3396729250 [0,1,0,0,0,0|2,0,0]=3 13 B25R4.65780474 CC1=C2C3=CC=CC=C3C=CC2=NC(=C1)C4=CC=C(C=C4)F MCULE-7711929264 [0,1,0,0,0,0|2,0,0]=3 14 B25R4.65780474 CC1=CC(=NC2=C1C3=C(C=CC=C3)C=C2)C4=CC=C(C=C4)N MCULE-2360799135 [0,1,0,0,0,0|2,0,0]=3 15 B25R4.65780474 CC1=CC(=NC2=C1C3=C(C=CC=C3)C=C2)C4=CC=C(C=C4)O MCULE-4124704739 [0,1,0,0,0,0|2,0,0]=3 16 B25R4.65780474 CC1=CC(=NC2=C1C3=C(C=CC=C3)C=C2)C4=CC=C(C=C4)O MCULE-5579907549 [0,1,0,0,0,0|2,0,0]=3 17 B25R4.65780474 CC1=CC(=NC2=CC=C3C=CC=CC3=C12)C4=CC=C(C=C4)Cl MCULE-1539849976 [0,1,0,0,0,0|2,0,0]=3 18 B25R4.65780474 O=C1CC(NC2=C1C3=C(C=CC=C3)C=C2)C4=CC=C(C=C4)Br MCULE-4127264971 [0,1,0,0,0,0|1,0,2]=4 19 B25R4.65780474 O=C1CC(NC2=CC=C3C=CC=CC3=C12)C4=CC=C(C=C4)F MCULE-7891154709 [0,1,0,0,0,0|1,0,2]=4 20 B25R4.191670819 CC1=CC(=NC2=C1C3=C(C=CC=C3)C=C2)C4=CC(=CC=C4)O MCULE-7253207242 [0,1,0,0,0,0|2,0,0]=3 21 B25R4.191670819 O=C1CC(NC2=C1C3=C(C=CC=C3)C=C2)C4=CC(=CC=C4)Br MCULE-3135880337 [0,1,0,0,0,0|1,0,2]=4 22 B25R4.191670819 O=C1CC(NC2=C1C3=C(C=CC=C3)C=C2)C4=CC(=CC=C4)O MCULE-8467796566 [0,1,0,0,0,0|1,0,2]=4 23 B23R3.14769 O=C1C=C(C=C(N1)C=CC2=CC=CC=C2)C3=CC=CC=C3 MCULE-8006348594 [0,0,1,0,0,0|2,0,0]=3 24 B23R3.14769 O=C1C=C(CC(C1)C=CC2=CC=CC=C2)C3=CC=CC=C3 MCULE-2777289977 [0,0,1,0,0,0|1,0,2]=4 25 B23R3.14769 O=C1C=C(N=C(N1)C=CC2=CC=CC=C2)C3=CC=CC=C3 MCULE-1683836142 [0,0,1,0,0,0|2,0,0]=3 26 B23R3.14769 O=C1C=C(NC(=C1)C2=CC=CC=C2)CCC3=CC=CC=C3 MCULE-4779488654 [0,0,1,0,0,0|1,0,2]=4 27 B23R3.14769 O=C1C=C(OC(=N1)C2=CC=CC=C2)C=CC3=CC=CN=C3 MCULE-1161531395 [0,0,1,0,0,0|2,0,0]=3 28 B23R3.45350 CC1=CC=C2C=CC=CC2=C1C(=O)C=CC3=CC=CC=C3 MCULE-7573014512 [0,0,1,0,0,0|1,0,0]=2 29 B23R3.45350 CC1=CC=C2C=CC=CC2=C1C(=O)CCC3=CC=CC=C3 MCULE-8603671166 [0,0,1,0,0,0|1,0,2]=4 30 B23R3.45350 CC1=CC=C2C=CC=CC2=C1C(=O)COC3=CC=CC=C3 MCULE-4296203821 [0,0,1,0,0,0|2,0,1]=4 31 B23R3.7582709 CC(NC(=O)C1=CC=CC2=C1C=CC=C2)C3=CC=CC=C3 MCULE-2200425931 [0,0,1,0,0,0|2,0,1]=4 32 B23R3.7582709 C[C@@H](NC(=O)C1=CC=CC2=CC=CC=C12)C3=CC=CC=C3 MCULE-4385082103 [0,0,1,0,0,0|2,0,1]=4 33 B23R3.19351635 O=C(O)C1=C2C=CC=CC2=CC=C1OCC3=CC=CC=C3 MCULE-1511421911 [0,0,1,0,0,0|1,0,1]=3 34 B23R3.22097183 C=CCOC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3 MCULE-4781764638 [0,0,1,0,0,0|1,0,1]=3 35 B23R3.113047371 C=CCC1=C(C=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3)O MCULE-7141261257 [0,0,1,0,0,0|1,0,1]=3 36 B23R4.58268 CC1=C2C(=CC3=CC=CC=C23)OC(=C1)C4=CC=CC=C4 MCULE-3176672653 [0,0,0,0,1,0|1,0,0]=2 37 B23R4.58268 O=C1C=C(NC2=NC3=C(N12)C=CC=C3)C4=CC=CC=C4 MCULE-7898772072 [0,0,0,0,1,0|3,0,0]=4 38 B23R4.2178022 O=C1OC(C2=C1C3=CC=CC=C3C=C2)C4=CC=CC=C4 MCULE-6788315696 [0,0,0,0,1,0|1,0,1]=3 39 B23R4.11526250 NC1=C(SC2=[N+]1C3=C(C=CC=C3)C=C2)C4=CC=CC=C4 MCULE-4901169160 [0,0,0,0,1,0|2,1,0]=4 40 B23R4.11526250 NC1=C(SC2=[N+]1C3=C(C=CC=C3)C=C2)C4=CC=CC=C4 MCULE-5233847111 [0,0,0,0,1,0|2,1,0]=4 41 B23R4.11526250 O=C1C2=C3C=CC=CC3=CC=C2CC1C4=CC=CC=C4 MCULE-3406721170 [0,0,0,0,1,0|1,0,1]=3 42 B23R4.11526250 [O-]C1=C(SC2=CC=C3C=CC=CC3=[N+]12)C4=CC=CC=C4 MCULE-3732924141 [0,0,0,0,1,0|1,1,1]=4 43 B22R3.32540 OC1=C(C2=CC=CC=C2C=C1)C=NCC3=CC=CC=C3 MCULE-3554290071 [1,0,1,0,0,0|1,0,1]=4 44 B22R3.32540 OC1=CC=C2C=CC=CC2=C1C=NNC3=CC=CC=C3 MCULE-3550007723 [1,0,1,0,0,0|2,0,0]=4 45 B22R3.63943 O=C(C=CC1=CC=CC=C1)C2=CC=CC3=CC=CC=C23 MCULE-5057561883 [1,0,1,0,0,0|0,0,0]=2 46 B22R3.63943 O=C(CCC1=CC=CC=C1)C2=CC=CC3=CC=CC=C23 MCULE-2112721285 [1,0,1,0,0,0|0,0,2]=4 47 B22R3.63943 O=C(COC1=CC=CC=C1)C2=CC=CC3=CC=CC=C23 MCULE-9584041792 [1,0,1,0,0,0|1,0,1]=4 48 B22R3.63943 O=C(NNC1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2 MCULE-8608631598 [1,0,1,0,0,0|2,0,0]=4 49 B22R3.158401 O=CC1=C(C=CC2=CC=CC=C12)OCC3=CC=CC=C3 MCULE-2094840338 [1,0,1,0,0,0|0,0,1]=3 50 B22R3.789632 O=C(C=CC1=C2C=CC=CC2=CC=C1)C3=CC=NC=C3 MCULE-3444249026 [1,0,1,0,0,0|1,0,1]=4 51 B22R3.789632 O=C(C=CC1=CC=CC2=C1C=CC=C2)C3=CC=CC=C3 MCULE-1585096042 [1,0,1,0,0,0|0,0,1]=3 52 B24R3.11008983 O=C1C=C(N=C(O1)C2=CC=C(C=C2)Br)C=CC3=CC=CC=C3 MCULE-1146552404 [0,1,1,0,0,0|2,0,0]=4 53 B24R3.11378969 O=C1C=C(N=C(O1)C=CC2=CC=CC=C2)C3=CC(=CC=C3)I MCULE-6597138945 [0,1,1,0,0,0|2,0,0]=4 54 B24R3.120509 COC1=C(C2=C(C=CC=C2)C=C1)C(=O)C=CC3=CC=CC=C3 MCULE-8882119221 [0,1,1,0,0,0|0,0,0]=2 55 B24R3.120509 COC1=CC=C2C=CC=CC2=C1C(=O)CCC3=CC=CC=C3 MCULE-8485182515 [0,1,1,0,0,0|0,0,2]=4 56 B24R3.120509 COC1=CC=C2C=CC=CC2=C1C(=O)COC3=CC=CC=C3 MCULE-3225131380 [0,1,1,0,0,0|1,0,1]=4 57 B24R3.2219624 O=CC1=C(C=CC2=CC=CC=C12)OS(=O)(=O)C3=CC=CC=C3 MCULE-2419823538 [0,1,1,0,0,0|2,0,0]=4 58 B24R3.8300412 O=CC1=C(C=CC2=CC=CC=C12)OC(=O)C3=CC=CC(=C3)Cl MCULE-7051074014 [0,1,1,0,0,0|1,0,0]=3 59 B24R3.8300416 CC1=C(C=CC=C1)C(=O)OC2=CC=C3C=CC=CC3=C2C=O MCULE-8641375956 [0,1,1,0,0,0|1,0,0]=3 60 B24R3.8300416 O=CC1=C(C=CC2=CC=CC=C12)OC(=O)C3=CC=CC=C3Cl MCULE-4173435432 [0,1,1,0,0,0|1,0,0]=3 61 B24R3.38856240 COC(=O)C1=C2C=CC=CC2=CC=C1OCC3=CC=CC=C3 MCULE-6580021375 [0,1,1,0,0,0|0,0,2]=4 62 B24R3.33480918 C=CCOC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=C(C=C3)Cl MCULE-5744788425 [0,1,1,0,0,0|1,0,1]=4 63 B24R4.2024158 CC1=CC=C(C=C1)C2=NC3=CC=C4C=CC=CC4=C3C=C2 MCULE-1230663178 [1,1,0,0,0,0|1,0,0]=3 64 B24R4.2024158 ClC1=CC=C(C=C1)C2=NC=C3C4=CC=CC=C4C=CC3=N2 MCULE-1940280338 [1,1,0,0,0,0|2,0,0]=4 65 B24R4.2049568 NC1=CC=CC(=C1)C2=NC3=CC=C4C=CC=CC4=C3C=C2 MCULE-9036375952 [1,1,0,0,0,0|1,0,0]=3 66 B24R4.2402456 OC1=CC=CC=C1C2=NC3=CC=C4C=CC=CC4=C3C=C2 MCULE-3580465552 [1,1,0,0,0,0|1,0,0]=3 67 B26R4.28811951 O=C(O)C1=CC(=NC2=CC=C3C=CC=CC3=C12)C4=CC=CC=C4 MCULE-1984025989 [0,2,0,0,0,0|1,0,0]=3 68 B26R4.14766475 COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C)C4=C(C=CC=C4)C=C3 MCULE-2343168392 [0,2,0,0,0,0|2,0,0]=4 69 B26R4.14766475 COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C)C4=C(C=CC=C4)C=C3 MCULE-6960700890 [0,2,0,0,0,0|2,0,0]=4 70 B26R4.14766475 O=C1C=C(OC2=C1C3=CC=CC=C3C=C2)C4=CC=C(C=C4)CBr MCULE-8455933098 [0,2,0,0,0,0|0,0,0]=2 71 B26R4.14766475 O=C1C=C(OC2=C1C3=CC=CC=C3C=C2)C4=CC=C(C=C4)CO MCULE-6333674112 [0,2,0,0,0,0|0,0,0]=2 72 B22R2.34114 O=C(/C=C/C1=CC=CC=C1)OC(=O)/C=C/C2=CC=CC=C2 MCULE-7162621115 [0,0,2,0,0,0|1,0,1]=4 73 B22R2.34114 O=C(C=C(O)C=CC1=CC=CC=C1)CCC2=CC=CC=C2 MCULE-3150487854 [0,0,2,0,0,0|0,0,2]=4 74 B22R2.34114 O=C(C=CC1=CC=CC=C1)OC(=O)C=CC2=CC=CC=C2 MCULE-6286170437 [0,0,2,0,0,0|1,0,1]=4 75 B24R4.175051671 O=C1C(=CC2=CC=CC=C2)SC3=CC=C4C=CC=CC4=C13 MCULE-3677388710 [0,0,1,1,0,0|0,1,0]=3 76 B24R4.83117 O=C1OC(=NC2=C1C=C3C=CC=CC3=C2)C4=CC=CC=C4 MCULE-1677268417 [0,0,1,1,0,0|2,0,0]=4 77 B24R4.6842361 C1=CC2=CC=C(C=C2C=C1)NC3=C4C=CC=CC4=CC=C3 MCULE-4991728555 [0,0,1,1,0,0|2,0,0]=4 78 B24R4.3646832 O=C1C=C(OC2=C1C=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-2454889877 [0,0,1,1,0,0|0,0,0]=2 79 B24R4.3646832 O=C1C=C(OC2=C1C=CC3=CC=CC=C23)C4=CC=NC=C4 MCULE-3981259661 [0,0,1,1,0,0|1,0,0]=3 80 B24R4.3646832 O=C1C=C(OC2=C3C=CC=CC3=CC=C12)C4=CC=NC=C4 MCULE-4590967836 [0,0,1,1,0,0|1,0,0]=3 81 B24R4.3646832 O=C1C=C(SC2=C1C=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-9271319976 [0,0,1,1,0,0|0,1,0]=3 82 B24R4.3646832 O=C1CC(OC2=C1C=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-1514405777 [0,0,1,1,0,0|0,0,2]=4 83 B24R4.3646832 OC1=CC(=[O+]C2=C3C=CC=CC3=CC=C12)C4=CC=CC=C4 MCULE-2177643320 [0,0,1,1,0,0|0,0,2]=4 84 B24R4.34673377 O=C1OC2=CC=C3C=CC=CC3=C2C(=O)C4=C1C=CC=C4 MCULE-2636976496 [0,0,1,1,0,0|1,0,0]=3 85 B22R3.29196 CC1=C(C2=C(N1)C=CC=C2)C(=O)C=CC3=CC=CC=C3 MCULE-5308830777 [0,0,1,0,1,0|2,0,0]=4 86 B22R3.32589 O=C(C=CC1=CC=CO1)C2=C(C=CC3=CC=CC=C23)O MCULE-9571986236 [0,0,1,0,1,0|1,0,0]=3 87 B22R3.32796 CC1=CC=C2C=CC=CC2=C1C(=O)CC3=CC=CC=C3 MCULE-7119144009 [0,0,1,0,1,0|1,0,1]=4 88 B22R3.3256837 CN(C(=O)C1=C2C=CC=CC2=CC=C1)C3=CC=CC=C3 MCULE-6416578571 [0,0,1,0,1,0|2,0,0]=4 89 B22R3.3256837 O=C(C1=CC=CC2=CC=CC=C12)C(Cl)C3=CC=CC=C3 MCULE-2719019434 [0,0,1,0,1,0|1,0,1]=4 90 B22R4.1468327 C1=CC=C(C=C1)C2=CC3=C(N2)C4=C(C=CC=C4)C=C3 MCULE-6059017928 [1,0,0,0,1,0|2,0,0]=4 91 B22R4.1468327 C1=CC=C(C=C1)C2=CC3=C4C=CC=CC4=CC=C3O2 MCULE-3975466139 [1,0,0,0,1,0|0,0,0]=2 92 B22R4.1468327 C1=CC=C(C=C1)C2=CN3C(=N2)C=CC4=C3C=CC=C4 MCULE-1165569994 [1,0,0,0,1,0|2,0,0]=4 93 B22R4.1468327 C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4C=CC3=N2 MCULE-1664561894 [1,0,0,0,1,0|2,0,0]=4 94 B22R4.1468327 C1=CC=C(C=C1)C2=CN3C=CC4=CC=CC=C4C3=C2 MCULE-7569610479 [1,0,0,0,1,0|2,0,0]=4 95 B22R4.1468327 C1=CC=C(C=C1)C2=NC3=C(N2)C4=C(C=CC=C4)C=C3 MCULE-2396358427 [1,0,0,0,1,0|2,0,0]=4 96 B22R4.1468327 C1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=CC=C3O2 MCULE-7547699760 [1,0,0,0,1,0|1,0,0]=3 97 B22R4.1469157 C1=CC=C(C=C1)C2=CC=C3C(=C2)NC4=C3C=CC=C4 MCULE-3120840214 [1,0,0,0,1,0|2,0,0]=4 98 B22R4.1469157 C1=CC=C(C=C1)C2=CC=C3C(=CC4=C3C=CC=C4)O2 MCULE-3614210010 [1,0,0,0,1,0|0,0,0]=2 99 B24R3.448092 O=C(NC(=S)NC1=CC=CC=C1)C2=C3C=CC=CC3=CC=C2 MCULE-9812963489 [0,0,1,0,0,1|1,1,0]=4 100 B24R3.28927049 N/C(=N\OC(=O)C1=CC=CC2=CC=CC=C12)/C3=CC=CC=C3 MCULE-2976493055 [0,0,1,0,0,1|2,0,0]=4 101 B24R3.28973112 O=C(CC(=O)C1=CC=CC=C1)NC2=CC=CC3=CC=CC=C23 MCULE-2550502954 [0,0,1,0,0,1|0,0,2]=4 102 B24R4.3844040 ClC1=NC(=C2C=CC3=CC=CC=C3C2=N1)C4=CC=CC=C4 MCULE-6788863059 [0,0,0,0,1,1|2,0,0]=4 103 B24R4.3844040 O=C1CC(C2=CC=C3C=CC=CC3=C2N1)C4=CC=CC=C4 MCULE-7296941420 [0,0,0,0,1,1|0,0,2]=4