0 B24R4.3646832 O=C1C=C(OC2=C1C=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-2454889877 [0,0,0,0,0,0|0,0,0]=0 1 B24R4.3646832 O=C1C=C(OC2=C1C=CC3=CC=CC=C23)C4=CC=NC=C4 MCULE-3981259661 [0,0,0,0,0,0|1,0,0]=1 2 B24R4.3646832 O=C1C=C(OC2=C3C=CC=CC3=CC=C12)C4=CC=NC=C4 MCULE-4590967836 [0,0,0,0,0,0|1,0,0]=1 3 B24R4.3646832 O=C1C=C(SC2=C1C=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-9271319976 [0,0,0,0,0,0|0,1,0]=1 4 B24R4.3646832 O=C1CC(OC2=C1C=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-1514405777 [0,0,0,0,0,0|0,0,2]=2 5 B24R4.3646832 OC1=CC(=[O+]C2=C3C=CC=CC3=CC=C12)C4=CC=CC=C4 MCULE-2177643320 [0,0,0,0,0,0|0,0,2]=2 6 B24R4.3646832 S=C1N=C(OC2=C1CCC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-5561681906 [0,0,0,0,0,0|1,1,2]=4 7 B23R4.1520458 C1=CC=C(C=C1)C2=CC=C3C=CC4=CC=CN=C4C3=N2 MCULE-4610526983 [1,0,0,0,0,0|2,0,0]=3 8 B25R4.4160806 O=C1NC(=CC2=C1C(=O)OC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-1995754939 [0,1,0,0,0,0|3,0,0]=4 9 B25R4.5774550 CC1=CC=C(C=C1)C2=CC(=O)C3=CC=C4C=CC=CC4=C3O2 MCULE-5982523453 [0,1,0,0,0,0|0,0,0]=1 10 B25R4.19482749 O=C1C(=C(OC2=C1C=CC3=C2C=CC=C3)C4=CC=CC=C4)O MCULE-4326008601 [0,1,0,0,0,0|0,0,0]=1 11 B23R3.27520 C/C(=N\NC1=CC=CC=C1)/C2=CC=C3C=CC=CC3=C2O MCULE-8034361180 [0,0,1,0,0,0|3,0,0]=4 12 B23R3.27520 CC(=NNC1=CC=CC=C1)C2=CC=C3C=CC=CC3=C2O MCULE-2345598650 [0,0,1,0,0,0|3,0,0]=4 13 B23R3.27520 O=C(C=CC1=CC=CC=C1)C2=CC=C3C=CC=CC3=C2O MCULE-5520182130 [0,0,1,0,0,0|0,0,0]=1 14 B23R3.27520 O=C(NCC1=CC=CC=C1)C2=C(C3=CC=CC=C3N=C2)O MCULE-3973159858 [0,0,1,0,0,0|2,0,1]=4 15 B23R3.42083 O=C1N=C(NN=C1C=CC2=CC=CC=C2)C3=CC=CC=C3 MCULE-1978223581 [0,0,1,0,0,0|3,0,0]=4 16 B23R3.88273 O=CC1=CC=C2C=CC=NC2=C1OC(=O)C3=CC=CC=C3 MCULE-5032220623 [0,0,1,0,0,0|2,0,0]=3 17 B23R3.105907 CC(NC(=O)C1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3 MCULE-2598714397 [0,0,1,0,0,0|2,0,1]=4 18 B23R3.105907 [C@@H](C)(NC(=O)C1=CC=C2C=CC=CC2=C1)C3=CC=CC=C3 MCULE-4991675061 [0,0,1,0,0,0|2,0,1]=4 19 B23R4.1494939 CC1=C(N=C2N1C=CC3=CC=CC=C23)C4=CC=CC=C4 MCULE-7083865125 [0,0,0,0,1,0|3,0,0]=4 20 B23R4.1494939 O=C1C2=CNC3=CC=CC=C3C2=NN1C4=CC=CC=C4 MCULE-3960336577 [0,0,0,0,1,0|3,0,0]=4 21 B23R4.1494939 [O-]C1=C(SC2=C3C=CC=CC3=CC=[N+]12)C4=CC=CC=C4 MCULE-7777302557 [0,0,0,0,1,0|1,1,1]=4 22 B23R4.2860980 O=C1C=C(OC2=C3C=COC3=CC=C12)C4=CC=CC=C4 MCULE-8216579520 [0,0,0,0,1,0|1,0,0]=2 23 B23R4.2860993 O=C1C=C(OC2=C3C=CC=CC3=CC=C12)C4=CC=CO4 MCULE-3082061127 [0,0,0,0,1,0|1,0,0]=2 24 B23R4.2860993 O=C1C=C(OC2=C3C=CC=CC3=CC=C12)C4=CC=CS4 MCULE-3414750500 [0,0,0,0,1,0|1,0,0]=2 25 B23R4.2862484 O=C1NC(=NC2=C1OC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-2802982463 [0,0,0,0,1,0|3,0,0]=4 26 B23R4.2862484 O=C1OC(=CN2C1=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-5101491225 [0,0,0,0,1,0|3,0,0]=4 27 B23R4.2862484 O=C1OC(=NC2=C1OC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-2410629296 [0,0,0,0,1,0|3,0,0]=4 28 B22R3.593220 O=C1C=C(OC(=C1Br)C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4281502194 [1,0,1,0,0,0|1,0,0]=3 29 B22R3.63903 O=C(/C=C/C1=CC=CN=C1)C2=CC3=CC=CC=C3N=C2 MCULE-1274521292 [1,0,1,0,0,0|2,0,0]=4 30 B22R3.63903 O=C(C=CC1=CC=CC=C1)C2=CC3=C(C=CC=C3)C=C2 MCULE-9099727476 [1,0,1,0,0,0|0,0,0]=2 31 B22R3.63903 O=C(C=CC1=CN=CC=C1)C2=CC3=C(C=CC=C3)C=C2 MCULE-6655071871 [1,0,1,0,0,0|1,0,0]=3 32 B22R3.63903 O=C(CCC1=CC=CC=C1)C2=CC=C3C=CC=CC3=C2 MCULE-3394800103 [1,0,1,0,0,0|0,0,2]=4 33 B22R3.63903 O=C(COC1=CC=CC=C1)C2=CC=C3C=CC=CC3=C2 MCULE-2836739750 [1,0,1,0,0,0|1,0,1]=4 34 B22R3.63903 O=C(NCC1=CC=CC=C1)C2=CC=C3C=CC=CC3=C2 MCULE-5061562921 [1,0,1,0,0,0|1,0,1]=4 35 B22R3.3702 C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C3=CC=CC=C3 MCULE-4917621274 [1,0,1,0,0,0|1,0,0]=3 36 B22R3.212251 O=C(/C=C/C1=CC2=C(C=CC=C2)C=C1)C3=CN=CC=C3 MCULE-4112720961 [1,0,1,0,0,0|1,0,1]=4 37 B22R3.212251 O=C(C=CC1=CC2=C(C=CC=C2)C=C1)C3=CN=CC=C3 MCULE-3088660422 [1,0,1,0,0,0|1,0,1]=4 38 B24R3.36560 O=C(CC(=O)C1=CC=C2C=CC=CC2=C1O)C3=CC=CC=C3 MCULE-2990326374 [0,1,1,0,0,0|0,0,1]=3 39 B24R3.91701 CC1=CC=C(C=C1)C=CC(=O)C2=CC=C3C=CC=CC3=C2O MCULE-8607411377 [0,1,1,0,0,0|0,0,0]=2 40 B24R3.91701 O=C(C=CC1=CC=C(C=C1)Br)C2=CC=C3C=CC=CC3=C2O MCULE-3630574412 [0,1,1,0,0,0|0,0,0]=2 41 B24R3.91701 O=C(C=CC1=CC=C(C=C1)Cl)C2=CC=C3C=CC=CC3=C2O MCULE-7164473507 [0,1,1,0,0,0|0,0,0]=2 42 B24R3.91701 O=C(OCC1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3C=C2)O MCULE-2961182980 [0,1,1,0,0,0|1,0,1]=4 43 B24R3.147304 CC1=C(C(=O)C2=CC=CC=C2N1)C(=O)C=CC3=CC=CC=C3 MCULE-7359252467 [0,1,1,0,0,0|1,0,1]=4 44 B24R3.147304 CC1=NC2=CC=CC=C2C(=C1C(=O)C=CC3=CC=CC=C3)N MCULE-9034451274 [0,1,1,0,0,0|2,0,0]=4 45 B24R3.147304 O=C(C=CC1=CC=CC=C1)C2=C(C3=CC=CC=C3NC2=O)O MCULE-8076526657 [0,1,1,0,0,0|1,0,0]=3 46 B24R3.2429594 O=C(OCC1=C(C=CC=C1)Cl)C2=C(C3=CC=CC=C3C=C2)O MCULE-6024950412 [0,1,1,0,0,0|1,0,1]=4 47 B24R3.120483 O=CC1=C(C2=CC=CC=C2C=C1)OC(=O)C3=CC=C(C=C3)Cl MCULE-8808302661 [0,1,1,0,0,0|1,0,0]=3 48 B24R3.434932 CC(=O)C1=CC=C2C=CC=CC2=C1OC(=O)C3=CC=CN=C3 MCULE-2760903180 [0,1,1,0,0,0|2,0,0]=4 49 B24R3.1070026 O=C(O)C1=CC=C2C=CC=CC2=C1OCC3=CC=C(C=C3)Cl MCULE-5036320824 [0,1,1,0,0,0|1,0,1]=4 50 B24R4.80157 O=C1OC2=C(C=C1C3=CC=CC=C3)C4=C(C=CC=C4)C=C2 MCULE-5418807004 [1,1,0,0,0,0|2,0,0]=4 51 B24R4.2067050 BrC1=NC2=C3N=C(C=CC3=CC=C2C=C1)C4=CC=CC=C4 MCULE-6068325633 [1,1,0,0,0,0|2,0,0]=4 52 B24R4.2067050 ClC1=NC2=C3N=C(C=CC3=CC=C2C=C1)C4=CC=CC=C4 MCULE-9234307922 [1,1,0,0,0,0|2,0,0]=4 53 B26R4.26002872 CC1(C=CC2=C3OC(=CC(=O)C3=CC=C2O1)C4=CC=CC=C4)C MCULE-4967020572 [0,2,0,0,0,0|1,0,1]=4 54 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 55 B24R4.36601 O=C1C=C(C2=CC3=CC=CC=C3C=C2O1)C4=CC=CC=C4 MCULE-7797299761 [0,0,1,1,0,0|2,0,0]=4 56 B24R4.3643687 CC1=C2C3=CC=CC=C3C=CC2=NC(=C1)C4=CC=CC=C4 MCULE-1781340805 [0,0,1,1,0,0|2,0,0]=4 57 B24R4.3643687 O=C1C=C(OC2=CC=C3C=CC=CC3=C12)C4=CC=CC=C4 MCULE-3119132003 [0,0,1,1,0,0|0,0,0]=2 58 B24R4.3643687 O=C1CC(OC2=CC=C3C=CC=CC3=C12)C4=CC=CC=C4 MCULE-2530592174 [0,0,1,1,0,0|0,0,2]=4 59 B24R4.8299 C1=CC2=CC=CC(=C2C=C1)NC3=C4C=CC=CC4=CC=C3 MCULE-5804707812 [0,0,1,1,0,0|2,0,0]=4 60 B24R4.8299 C1=CC2=CC=CC(=C2C=C1)SC3=C4C=CC=CC4=CC=C3 MCULE-6889806350 [0,0,1,1,0,0|1,1,0]=4 61 B24R4.8299 C1=CC=C2C(=C1)C=CC=C2CC3=CC=CC4=CC=CC=C34 MCULE-3164303248 [0,0,1,1,0,0|2,0,0]=4 62 B24R4.5814156 O=C1OC(=CC2=CC=CC3=CC=CC=C23)C4=C1C=CC=C4 MCULE-5489329518 [0,0,1,1,0,0|2,0,0]=4 63 B22R3.19419 O=C(NC1=CC=CC=C1)C2=CC=C3C=CC=CC3=C2O MCULE-3931468640 [0,0,1,0,1,0|1,0,0]=3 64 B22R3.19419 O=C(NC1=CC=CC=N1)C2=C(C3=CC=CC=C3C=C2)O MCULE-7489707874 [0,0,1,0,1,0|2,0,0]=4 65 B22R3.19419 O=C(NC1=CC=CN=C1)C2=C(C3=CC=CC=C3C=C2)O MCULE-3359627665 [0,0,1,0,1,0|2,0,0]=4 66 B22R3.19419 O=C(OC1=CC=CC=C1)C2=C(C3=CC=CC=C3C=C2)O MCULE-3849548437 [0,0,1,0,1,0|1,0,0]=3 67 B22R3.18201 O=C1OC(=CC1=CNC2=CC=CC=C2)C3=CC=CC=C3 MCULE-1909119180 [0,0,1,0,1,0|2,0,0]=4 68 B22R3.18201 O=C1SC(=CC1=CNC2=CC=CC=C2)C3=CC=CC=C3 MCULE-2550204828 [0,0,1,0,1,0|2,0,0]=4 69 B22R3.3256750 CN(C(=O)C1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3 MCULE-8572360541 [0,0,1,0,1,0|2,0,0]=4 70 B22R3.3256750 O=C(C1=CC=C2C=CC=CC2=C1)C(Cl)C3=CC=CC=C3 MCULE-9392384573 [0,0,1,0,1,0|1,0,1]=4 71 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|1,0,0]=3 72 B22R4.1468327 C1=CC=C(C=C1)C2=CC3=C4C=CC=CC4=CC=C3O2 MCULE-3975466139 [1,0,0,0,1,0|2,0,0]=4 73 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 74 B22R4.1468327 C1=CC=C(C=C1)C2=CN3C=CC4=CC=CC=C4C3=N2 MCULE-9535368899 [1,0,0,0,1,0|2,0,0]=4 75 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 76 B22R4.1468327 C1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=CC=C3O2 MCULE-7547699760 [1,0,0,0,1,0|2,0,0]=4 77 B22R4.1469098 C1=CC=C(C=C1)C2=CC3=C(C=C2)NC4=C3C=CC=C4 MCULE-2211911903 [1,0,0,0,1,0|2,0,0]=4 78 B24R3.36561 O=C(NN=CC1=CC=CC=C1)C2=CC=C3C=CC=CC3=C2O MCULE-7253455365 [0,0,1,0,0,1|1,0,0]=3 79 B24R3.36561 O=C(NN=CC1=CC=CN=C1)C2=C(C3=C(C=CC=C3)C=C2)O MCULE-3143356203 [0,0,1,0,0,1|2,0,0]=4 80 B24R3.36561 O=C(NN=CC1=CC=NC=C1)C2=CC=C3C=CC=CC3=C2O MCULE-7516912029 [0,0,1,0,0,1|2,0,0]=4 81 B24R3.11831645 O=C(C=CC1=CC=CC=C1)OC2=CC=C3C=CC=CC3=C2Br MCULE-6631987660 [0,0,1,0,0,1|1,0,0]=3 82 B24R3.446259 N/C(=N\OC(=O)C1=CC2=CC=CC=C2C=C1)/C3=CC=CC=C3 MCULE-2497769862 [0,0,1,0,0,1|2,0,0]=4 83 B24R3.446259 O=C(COC(=O)C1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2 MCULE-9040563591 [0,0,1,0,0,1|0,0,2]=4 84 B24R3.451242 O=C(CC(=O)C1=CC=CC=C1)NC2=CC3=CC=CC=C3C=C2 MCULE-2707367162 [0,0,1,0,0,1|0,0,2]=4 85 B24R4.93084 O=C1CC(C2=C(N1)C=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-9064621430 [0,0,0,0,1,1|0,0,2]=4 86 B24R4.93084 O=C1CC(C2=C3C=CC=CC3=CC=C2O1)C4=CC=CC=C4 MCULE-6917045261 [0,0,0,0,1,1|0,0,2]=4 87 B24R4.93084 O=C1NC2=CC=C3C=CC=CC3=C2C(N1)C4=CC=CC=C4 MCULE-3485024662 [0,0,0,0,1,1|1,0,1]=4 88 B26R4.3692893 CC1=C2C=CC3=C(C2=NC(=C1)C=CC4=CC=CC=C4)C=CC=C3 MCULE-2590443448 [0,0,0,0,0,2|2,0,0]=4 89 B26R4.3692893 CC1=C2C=CC3=C(C2=NC(=C1)C=CC4=CC=CC=C4)C=CC=C3 MCULE-3827351710 [0,0,0,0,0,2|2,0,0]=4