0 B15R2.11 CS(=O)(=O)ON1N=NC2=CC=CC=C12 MCULE-2128526711 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.11 NS(=O)(=O)CC1=NOC2=C1C=CC=C2 MCULE-1873297847 [0,0,0,0,0,0|0,0,0]=0 2 B15R2.11 O=S(=O)(Cl)CC1=NOC2=C1C=CC=C2 MCULE-4078057630 [0,0,0,0,0,0|1,0,0]=1 3 B15R2.11 O=S(=O)(O)CC1=NOC2=C1C=CC=C2 MCULE-9691515367 [0,0,0,0,0,0|1,0,0]=1 4 B15R2.11 O=S(=O)(O)OC1=CNC2=C1C=CC=C2 MCULE-2913964954 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.11 O=S(=O)([O-])CC1=NOC2=CC=CC=C12 MCULE-3120956326 [0,0,0,0,0,0|1,0,0]=1 6 B15R2.11 O=S(=O)([O-])OC1=CNC2=C1C=CC=C2 MCULE-3130688077 [0,0,0,0,0,0|4,0,0]=4 7 B15R2.11 [NH-]S(=O)(=O)CC1=NOC2=C1C=CC=C2 MCULE-3649784889 [0,0,0,0,0,0|0,0,1]=1 8 B15R2.11 [NH-]S(=O)(=O)CC1=NOC2=C1C=CC=C2 MCULE-3780133035 [0,0,0,0,0,0|0,0,1]=1 9 B14R2.2 CC(=O)CC1=COC2=C1C=CC=C2 MCULE-3973293992 [1,0,0,0,0,0|3,0,0]=4 10 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 MCULE-8683047927 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.2 NC(=O)CC1=COC2=CC=CC=C12 MCULE-3382342505 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.2 NC(=O)CC1=NOC2=C1C=CC=C2 MCULE-8439447087 [1,0,0,0,0,0|1,0,0]=2 13 B14R2.2 NC(=O)CN1N=NC2=C1C=CC=C2 MCULE-1931457545 [1,0,0,0,0,0|3,0,0]=4 14 B14R2.2 O=C(Cl)CC1=NOC2=CC=CC=C12 MCULE-3041762539 [1,0,0,0,0,0|2,0,0]=3 15 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 MCULE-6197784001 [1,0,0,0,0,0|2,0,1]=4 16 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C12 MCULE-8082948728 [1,0,0,0,0,0|2,0,1]=4 17 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 MCULE-4494939468 [1,0,0,0,0,0|1,0,1]=3 18 B14R2.2 O=C(O)CC1=NOC2=CC=CN=C12 MCULE-9620784043 [1,0,0,0,0,0|2,0,1]=4 19 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 MCULE-4666776096 [1,0,0,0,0,0|1,1,1]=4 20 B16R2.15533 O=S(=O)(Cl)CC1=NOC2=C1C=C(C=C2)Br MCULE-1501171532 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.3331 NS(=O)(=O)CCCCC1=CC=CC=C1 MCULE-7622462114 [0,0,1,0,0,0|2,0,1]=4 22 B14R1.3331 NS(=O)(=O)CCOCC1=CC=CC=C1 MCULE-4258138020 [0,0,1,0,0,0|2,0,1]=4 23 B14R1.3331 O=S(=O)(Cl)CCCOC1=CC=CC=C1 MCULE-9369726752 [0,0,1,0,0,0|2,0,1]=4 24 B14R1.4451 CS(=O)(=O)CC(=O)C1=C(C=CC=C1)Cl MCULE-6636754808 [0,0,1,0,0,0|3,0,0]=4 25 B14R2.286 CS(=O)(=O)C1=CNC2=C1C=CC=C2 MCULE-3601389980 [0,0,0,0,1,0|3,0,0]=4 26 B14R2.286 CS(=O)(=O)N1N=NC2=C1C=CC=C2 MCULE-8970122977 [0,0,0,0,1,0|3,0,0]=4 27 B14R2.286 NS(=O)(=O)C1=CN=C2N1C=CC=C2 MCULE-4467696648 [0,0,0,0,1,0|3,0,0]=4 28 B14R2.286 NS(=O)(=O)C1=CNC2=C1C=CC=C2 MCULE-6563311122 [0,0,0,0,1,0|2,0,0]=3 29 B14R2.286 NS(=O)(=O)C1=COC2=C1C=CC=C2 MCULE-9695744615 [0,0,0,0,1,0|1,0,0]=2 30 B14R2.286 NS(=O)(=O)C1=CSC2=C1C=CC=C2 MCULE-7150466309 [0,0,0,0,1,0|1,1,0]=3 31 B14R2.286 NS(=O)(=O)C1CCC2=C1C=CC=C2 MCULE-8875580979 [0,0,0,0,1,0|2,0,1]=4 32 B14R2.286 NS(=O)(=O)N1CCC2=C1C=CC=C2 MCULE-6818736214 [0,0,0,0,1,0|3,0,0]=4 33 B14R2.286 O=S(=O)(Cl)C1=C2C=CC=CC2=NS1 MCULE-1332776960 [0,0,0,0,1,0|3,0,0]=4 34 B14R2.286 O=S(=O)(Cl)C1=CNC2=C1C=CC=C2 MCULE-7516192857 [0,0,0,0,1,0|3,0,0]=4 35 B14R2.286 O=S(=O)(Cl)C1=COC2=C1C=CC=C2 MCULE-8914242984 [0,0,0,0,1,0|2,0,0]=3 36 B14R2.286 O=S(=O)(Cl)C1=CSC2=CC=CC=C12 MCULE-6197682657 [0,0,0,0,1,0|2,1,0]=4 37 B14R2.286 O=S(=O)(Cl)C1=NNC2=C1C=CC=N2 MCULE-1742220976 [0,0,0,0,1,0|3,0,0]=4 38 B14R2.286 O=S(=O)(F)C1=COC2=C1C=CC=C2 MCULE-3375076451 [0,0,0,0,1,0|2,0,0]=3 39 B14R2.286 O=S(=O)(O)C1=CNC2=C1C=CC=C2 MCULE-1739170231 [0,0,0,0,1,0|3,0,0]=4 40 B14R2.286 O=S(=O)([O-])C1=CNC2=C1C=CC=C2 MCULE-7286070390 [0,0,0,0,1,0|3,0,0]=4 41 B14R2.45895 O=S(=O)(Cl)CC1CC2=C1C=CC=C2 MCULE-6105780010 [0,0,0,0,1,0|2,0,1]=4 42 B16R2.2947 NS(=O)(=O)CCC1CCC2=C1C=CC=C2 MCULE-3329984431 [0,0,0,0,0,1|2,0,1]=4 43 B16R2.2947 NS(=O)(=O)NCC1=CSC2=C1C=CC=C2 MCULE-5079585238 [0,0,0,0,0,1|1,1,0]=3 44 B16R2.2947 O=S(=O)(Cl)CCC1=NOC2=C1C=CC=C2 MCULE-2324130174 [0,0,0,0,0,1|1,0,0]=2 45 B16R2.2947 O=S(=O)(F)CCN1N=NC2=C1C=CC=C2 MCULE-1473645870 [0,0,0,0,0,1|3,0,0]=4 46 B16R2.82802 CS(=O)(=O)CC1=CC2=CC=CC=C2C=C1 MCULE-9651821057 [0,0,0,0,0,1|3,0,0]=4 47 B16R2.82802 NS(=O)(=O)CC1=CC2=C(C=C1)N=CC=C2 MCULE-4869913806 [0,0,0,0,0,1|3,0,0]=4 48 B16R2.82802 O=S(=O)(Cl)CC1=CC2=C(C=CC=C2)C=C1 MCULE-2511431616 [0,0,0,0,0,1|3,0,0]=4 49 B16R2.82802 O=S(=O)(Cl)CC1COC2=C(O1)C=CC=C2 MCULE-4300594139 [0,0,0,0,0,1|2,0,1]=4 50 B16R2.248309 CS(=O)(=O)CC1=C2C=CC=CC2=CC=C1 MCULE-4400584314 [0,0,0,0,0,1|3,0,0]=4 51 B16R2.248309 NS(=O)(=O)CC1=C2C=CC=NC2=CC=C1 MCULE-4428288410 [0,0,0,0,0,1|3,0,0]=4 52 B16R2.248309 NS(=O)(=O)CC1=C2N=CC=CC2=CC=C1 MCULE-3778859388 [0,0,0,0,0,1|3,0,0]=4 53 B16R2.248309 O=S(=O)(Cl)CC1=C2C=CC=CC2=CC=C1 MCULE-5058010085 [0,0,0,0,0,1|3,0,0]=4 54 B13R1.157 NS(=O)(=O)CCC1=C(C=CC=C1)Br MCULE-8751664387 [1,0,1,0,0,0|1,0,1]=4 55 B13R1.157 NS(=O)(=O)CCC1=C(C=CC=C1)Cl MCULE-9995640932 [1,0,1,0,0,0|1,0,1]=4 56 B13R1.157 NS(=O)(=O)CCC1=C(C=CC=C1)F MCULE-3829160255 [1,0,1,0,0,0|1,0,1]=4 57 B13R1.157 O=S(=O)([O-])COC1=CC=CC=C1O MCULE-5812251371 [1,0,1,0,0,0|2,0,0]=4 58 B13R1.157 O=S(=O)([O-])COC1=CC=CC=C1O MCULE-6072050836 [1,0,1,0,0,0|2,0,0]=4 59 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 MCULE-7959927198 [1,0,1,0,0,0|1,0,1]=4 60 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 MCULE-3984536969 [1,0,1,0,0,0|1,0,1]=4 61 B13R1.352 O=C(CS(=O)(=O)Cl)C1=CC=CC=C1 MCULE-8029206018 [1,0,1,0,0,0|1,0,1]=4 62 B13R1.352 O=C(CS(=O)(=O)O)C1=CC=CC=C1 MCULE-4752368869 [1,0,1,0,0,0|1,0,1]=4 63 B13R1.352 O=C(CS(=O)(=O)[O-])C1=CC=CC=C1 MCULE-3778708532 [1,0,1,0,0,0|1,0,1]=4 64 B13R1.713 O=[N+]([O-])CC(=NO)C1=CC=CC=C1 MCULE-3288595120 [1,0,1,0,0,0|1,0,1]=4 65 B13R2.1 BrCCC1=NOC2=CC=CC=C12 MCULE-1967012887 [2,0,0,0,0,0|2,0,0]=4 66 B13R2.1 NCCC1=COC2=CC=CC=C12 MCULE-7528617628 [2,0,0,0,0,0|2,0,0]=4 67 B13R2.1 NCCC1=COC2=CC=CC=C12 MCULE-7867750419 [2,0,0,0,0,0|2,0,0]=4 68 B13R2.1 NCCC1=NNC2=C1C=CC=C2 MCULE-1354507733 [2,0,0,0,0,0|2,0,0]=4 69 B13R2.1 NCCC1=NNC2=C1C=CC=C2 MCULE-8325758175 [2,0,0,0,0,0|2,0,0]=4 70 B13R2.1 NCCC1=NOC2=C1C=CC=C2 MCULE-3151664736 [2,0,0,0,0,0|1,0,0]=3 71 B13R2.1 NCCC1=NOC2=C1C=CC=C2 MCULE-5047657632 [2,0,0,0,0,0|1,0,0]=3 72 B13R2.1 NCCC1=NSC2=C1C=CC=C2 MCULE-2503660518 [2,0,0,0,0,0|1,1,0]=4 73 B13R2.1 NCCC1=NSC2=C1C=CC=C2 MCULE-3141745623 [2,0,0,0,0,0|1,1,0]=4 74 B13R2.1 OCCC1=NOC2=CC=CC=C12 MCULE-1658232698 [2,0,0,0,0,0|1,0,1]=4 75 B15R2.4 CNC(=O)CC1=NSC2=C1C=CC=C2 MCULE-3438982730 [1,1,0,0,0,0|1,1,0]=4 76 B15R2.4 COC(=O)CC1=NOC2=CC=CC=C12 MCULE-7987710845 [1,1,0,0,0,0|1,0,1]=4 77 B15R2.4 NNC(=O)CC1=NOC2=CC=CC=C12 MCULE-2030408291 [1,1,0,0,0,0|1,0,0]=3 78 B15R2.377 CC1=CC=C2C(=C1)ON=C2CC(=O)O MCULE-1233355511 [1,1,0,0,0,0|1,0,1]=4 79 B15R2.377 O=C(O)CC1=NOC2=C1C=CC(=C2)Br MCULE-2598613242 [1,1,0,0,0,0|1,0,1]=4 80 B15R2.377 O=C(O)CC1=NOC2=C1C=CC(=C2)O MCULE-4593168478 [1,1,0,0,0,0|1,0,1]=4 81 B15R2.377 O=C(O)CC1=NOC2=CC(=CC=C12)Cl MCULE-2505954066 [1,1,0,0,0,0|1,0,1]=4 82 B15R2.377 O=C(O)CC1=NOC2=CC(=CC=C12)F MCULE-3609548251 [1,1,0,0,0,0|1,0,1]=4 83 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-5090588064 [1,1,0,0,0,0|2,0,0]=4 84 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-8006798471 [1,1,0,0,0,0|2,0,0]=4 85 B15R2.1255 O=C(O)C(Br)C1=NOC2=CC=CC=C12 MCULE-4791446111 [1,1,0,0,0,0|1,0,1]=4 86 B15R2.9410 CC1=CC=C2ON=C(C2=C1)CC(=O)O MCULE-5267416177 [1,1,0,0,0,0|1,0,1]=4 87 B15R2.9410 NC(=O)CC1=COC2=CC=C(C=C12)F MCULE-4162480230 [1,1,0,0,0,0|2,0,0]=4 88 B15R2.9410 NC(=O)CC1=NNC2=C1C=C(C=C2)Cl MCULE-7212048121 [1,1,0,0,0,0|2,0,0]=4 89 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)Br MCULE-3370590759 [1,1,0,0,0,0|1,0,1]=4 90 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)F MCULE-5386401720 [1,1,0,0,0,0|1,0,1]=4 91 B15R2.9410 O=C(O)CC1=NOC2=CC=C(C=C12)Cl MCULE-9881026598 [1,1,0,0,0,0|1,0,1]=4 92 B15R2.9410 O=C(O)CC1=NOC2=CC=C(C=C12)O MCULE-4620797319 [1,1,0,0,0,0|1,0,1]=4 93 B15R2.13587 CC1=C2ON=C(C2=CC=C1)CC(=O)O MCULE-5303401837 [1,1,0,0,0,0|1,0,1]=4 94 B15R2.13587 O=C(O)CC1=NOC2=C(C=CC=C12)Br MCULE-1558897256 [1,1,0,0,0,0|1,0,1]=4 95 B15R2.13587 O=C(O)CC1=NOC2=C(C=CC=C12)F MCULE-9313455847 [1,1,0,0,0,0|1,0,1]=4 96 B15R2.13587 O=C(O)CC1=NOC2=C1C=CC=C2Cl MCULE-2780489474 [1,1,0,0,0,0|1,0,1]=4 97 B15R2.13624 O=C(O)CC1=NOC2=CC=CC(=C12)Br MCULE-4027992161 [1,1,0,0,0,0|1,0,1]=4 98 B15R2.13624 O=C(O)CC1=NOC2=CC=CC(=C12)Cl MCULE-6579940253 [1,1,0,0,0,0|1,0,1]=4 99 B15R2.378 CS(=O)(=O)C1=NNC2=CC(=CC=C12)Br MCULE-1139020010 [0,1,0,0,1,0|2,0,0]=4 100 B15R2.994 CN1N=C2C=CC=CC2=C1S(=O)(=O)N MCULE-7308784443 [0,1,0,0,1,0|1,0,1]=4 101 B15R2.13588 NS(=O)(=O)C1=CNC2=C1C=CC=C2Br MCULE-5145059405 [0,1,0,0,1,0|2,0,0]=4 102 B15R2.13625 NS(=O)(=O)C1=CNC2=C1C(=CC=C2)F MCULE-5604765223 [0,1,0,0,1,0|2,0,0]=4 103 B15R2.53146 CN1C=C(C2=C1C=CC=C2)S(=O)(=O)N MCULE-1950777579 [0,1,0,0,1,0|2,0,0]=4 104 B15R2.8201 NS(=O)(=O)CC1=NOC2=C1SC(=C2)Br MCULE-7363640407 [0,1,0,0,1,0|1,0,0]=3 105 B17R2.5008 CS(=O)(=O)CC1=NC2=CC=CC=C2OC1=O MCULE-3214704506 [0,1,0,0,0,1|2,0,0]=4 106 B15R2.109477 NS(=O)(=O)C1CCOC2=C1C=CC=C2 MCULE-1713986421 [0,0,1,1,0,0|1,0,1]=4 107 B13R1.622 COC1=C(C=CC=C1)CS(=O)(=O)F MCULE-9948486263 [0,0,1,0,1,0|2,0,0]=4 108 B13R1.622 COC1=C(C=CC=C1)CS(=O)(=O)N MCULE-9342413469 [0,0,1,0,1,0|1,0,0]=3 109 B13R1.622 COC1=CC=CC=C1CS(=O)(=O)C MCULE-6570221805 [0,0,1,0,1,0|2,0,0]=4 110 B13R1.622 N#CC1=C(C=CC=C1)CS(=O)(=O)N MCULE-9267839043 [0,0,1,0,1,0|1,0,1]=4 111 B13R1.622 NCC1=C(C=CC=C1)CS(=O)(=O)N MCULE-8702978082 [0,0,1,0,1,0|1,0,1]=4 112 B13R1.622 NCC1=C(C=CC=C1)CS(=O)(=O)N MCULE-9331018446 [0,0,1,0,1,0|1,0,1]=4 113 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 MCULE-7602063101 [0,0,1,0,1,0|1,0,1]=4 114 B13R1.3523 NS(=O)(=O)CCOC1=CC=CC=C1 MCULE-3051833940 [0,0,1,0,1,0|0,0,1]=3 115 B13R1.3523 NS(=O)(=O)CCSC1=CC=CC=C1 MCULE-2962227744 [0,0,1,0,1,0|0,1,1]=4 116 B13R1.3523 O=S(=O)(Cl)CCOC1=CC=CC=C1 MCULE-4435772548 [0,0,1,0,1,0|1,0,1]=4 117 B13R1.3523 O=S(=O)(O)CCOC1=CC=CC=C1 MCULE-9176358741 [0,0,1,0,1,0|1,0,1]=4 118 B13R1.3523 O=S(=O)([O-])CCOC1=CC=CC=C1 MCULE-5009021340 [0,0,1,0,1,0|1,0,1]=4 119 B13R2.72 NC(=O)C1=COC2=CC=CC=C12 MCULE-6858305922 [1,0,0,0,1,0|2,0,0]=4 120 B13R2.72 NC(=O)C1=NNC2=C1C=CC=C2 MCULE-2541350999 [1,0,0,0,1,0|2,0,0]=4 121 B13R2.72 NC(=O)C1=NOC2=CC=CC=C12 MCULE-5336541125 [1,0,0,0,1,0|1,0,0]=3 122 B13R2.72 NC(=S)C1=NOC2=CC=CC=C12 MCULE-2982222667 [1,0,0,0,1,0|1,1,0]=4 123 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 MCULE-8907899256 [1,0,0,0,1,0|1,0,1]=4 124 B13R2.72 O=N(=O)C1=NNC2=C1C=CC=C2 MCULE-6549948831 [1,0,0,0,1,0|2,0,0]=4 125 B15R1.3890 NS(=O)(=O)CCCOCC1=CC=CC=C1 MCULE-1807079753 [0,0,1,0,0,1|1,0,1]=4 126 B15R2.1668 NC(=O)CC1=NN=C2C=CC=CC2=N1 MCULE-3231948798 [1,0,0,0,0,1|2,0,0]=4