0 B14R1.529 C(=C(/CN)\CCC1=CC=C(C=C1)F)\F MCULE-2448790981 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.529 C(=C(/CN)\CCC1=CC=C(C=C1)F)\F MCULE-3110999671 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.529 C(=C(CN)CCC1=CC=C(C=C1)F)F MCULE-5073108916 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.529 NCC(=CF)CCC1=CC=C(C=C1)F MCULE-3743526111 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.14 C/C(=N\O)/COC1=CC=C(C=C1)Cl MCULE-5070086409 [1,0,0,0,0,0|2,1,0]=4 5 B13R1.14 CC(=NO)COC1=CC=C(C=C1)Cl MCULE-4634565615 [1,0,0,0,0,0|2,1,0]=4 6 B13R1.14 CC1=CC=C(C=C1)OC/C(=N/O)/N MCULE-9785394592 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.14 CC1=CC=C(C=C1)OCC(=CCl)C MCULE-7700624122 [1,0,0,0,0,0|1,1,0]=3 8 B13R1.14 CC1=CC=C(C=C1)OCC(=O)NN MCULE-7083975000 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.14 CC1=CC=C(C=C1)OCC(O)CN MCULE-2898356437 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.14 CC1=CC=C(C=C1)OCC(O)CN MCULE-6724525740 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.14 COC(=O)COC1=CC=C(C=C1)F MCULE-2112895953 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.14 N/C(=N\O)/COC1=CC=C(C=C1)Br MCULE-6188199615 [1,0,0,0,0,0|2,1,0]=4 13 B13R1.14 N/C(=N\O)/COC1=CC=C(C=C1)Cl MCULE-9259863187 [1,0,0,0,0,0|2,1,0]=4 14 B13R1.14 N/C(=N\O)/COC1=CC=C(C=C1)F MCULE-5936392982 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.14 NCC(=O)NCC1=CC=C(C=C1)F MCULE-4122509040 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.14 NCC(O)COC1=CC=C(C=C1)Br MCULE-5736258284 [1,0,0,0,0,0|1,1,1]=4 17 B13R1.14 NCC(O)COC1=CC=C(C=C1)Br MCULE-9185600564 [1,0,0,0,0,0|1,1,1]=4 18 B13R1.14 NCC(O)COC1=CC=C(C=C1)Cl MCULE-5894445408 [1,0,0,0,0,0|1,1,1]=4 19 B13R1.14 NCC(O)COC1=CC=C(C=C1)F MCULE-5142647957 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.14 NCC(O)COC1=CC=C(C=C1)I MCULE-1752624376 [1,0,0,0,0,0|1,1,1]=4 21 B13R1.14 NNC(=O)CNC1=CC=C(C=C1)F MCULE-2153804661 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Br MCULE-9724875087 [1,0,0,0,0,0|2,1,0]=4 23 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl MCULE-7900568623 [1,0,0,0,0,0|2,1,0]=4 24 B13R1.14 NNC(=O)COC1=CC=C(C=C1)F MCULE-2297123738 [1,0,0,0,0,0|2,0,0]=3 25 B13R1.14 NNC(=O)COC1=CC=C(C=C1)I MCULE-5636233494 [1,0,0,0,0,0|2,1,0]=4 26 B13R1.14 O=C(CBr)COC1=CC=C(C=C1)Br MCULE-1263759838 [1,0,0,0,0,0|2,1,0]=4 27 B13R1.14 O=C(CBr)COC1=CC=C(C=C1)F MCULE-4003016897 [1,0,0,0,0,0|2,0,0]=3 28 B13R1.14 O=C(CCl)COC1=CC=C(C=C1)Cl MCULE-8569526882 [1,0,0,0,0,0|2,1,0]=4 29 B13R1.14 OC(CCl)COC1=CC=C(C=C1)F MCULE-7738166120 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.14 O[C@H](CCl)COC1=CC=C(C=C1)F MCULE-9905991343 [1,0,0,0,0,0|2,0,1]=4 31 B13R1.14 [C@H](O)(CCl)COC1=CC=C(C=C1)F MCULE-2067197311 [1,0,0,0,0,0|2,0,1]=4 32 B15R2.100 FC1=CC=C(C=C1)OCC2CCNC2 MCULE-3303058519 [0,0,0,1,0,0|1,0,2]=4 33 B15R2.100 FC1=CC=C(C=C1)OCC2CCNC2 MCULE-5877394682 [0,0,0,1,0,0|1,0,2]=4 34 B15R2.275 NCC1=CC=C(O1)C2=CC=C(C=C2)F MCULE-1393396436 [0,0,0,1,0,0|3,0,0]=4 35 B15R2.275 NCC1=CC=C(O1)C2=CC=C(C=C2)F MCULE-8263428929 [0,0,0,1,0,0|3,0,0]=4 36 B15R2.275 NCC1=CN(N=C1)C2=CC=C(C=C2)F MCULE-3055030273 [0,0,0,1,0,0|2,0,1]=4 37 B15R2.275 NCC1=CN(N=C1)C2=CC=C(C=C2)F MCULE-6450863573 [0,0,0,1,0,0|2,0,1]=4 38 B15R2.275 NCC1=COC(=N1)C2=CC=C(C=C2)F MCULE-2188506145 [0,0,0,1,0,0|3,0,0]=4 39 B15R2.275 NCC1=COC(=N1)C2=CC=C(C=C2)F MCULE-8986719165 [0,0,0,1,0,0|3,0,0]=4 40 B15R2.275 NCC1=CSC(=N1)C2=CC=C(C=C2)F MCULE-1098988994 [0,0,0,1,0,0|3,0,0]=4 41 B15R2.275 NCC1=CSC(=N1)C2=CC=C(C=C2)F MCULE-5941953947 [0,0,0,1,0,0|3,0,0]=4 42 B15R2.4774 O=CC1=C(C2=CC(=CC=C2OC1)F)Cl MCULE-2626382081 [0,0,0,1,0,0|1,1,1]=4 43 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F MCULE-3145969882 [0,0,0,0,1,0|1,0,2]=4 44 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F MCULE-3906372614 [0,0,0,0,1,0|1,0,2]=4 45 B12R1.1 CC1=CC=C(C=C1)OCCCN MCULE-5477766782 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.1 CC1=CC=C(C=C1)OCCCN MCULE-9443588391 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.1 ClC=CCOC1=CC=C(C=C1)Cl MCULE-1922803734 [2,0,0,0,0,0|0,2,0]=4 48 B12R1.1 FC1=CC=C(C=C1)OCCCBr MCULE-5487431967 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.1 FC1=CC=C(C=C1)OCCCCl MCULE-6755412863 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.1 NCCCCC1=CC=C(C=C1)F MCULE-3444273774 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.1 NCCCOC1=CC=C(C=C1)Br MCULE-4651481116 [2,0,0,0,0,0|0,1,1]=4 52 B12R1.1 NCCCOC1=CC=C(C=C1)Br MCULE-7275016026 [2,0,0,0,0,0|0,1,1]=4 53 B12R1.1 NCCCOC1=CC=C(C=C1)Cl MCULE-3072823574 [2,0,0,0,0,0|0,1,1]=4 54 B12R1.1 NCCCOC1=CC=C(C=C1)Cl MCULE-3897690853 [2,0,0,0,0,0|0,1,1]=4 55 B12R1.1 NCCCOC1=CC=C(C=C1)F MCULE-3183250453 [2,0,0,0,0,0|0,0,1]=3 56 B12R1.1 NCCCOC1=CC=C(C=C1)F MCULE-4114794145 [2,0,0,0,0,0|0,0,1]=3 57 B12R1.1 NCCCOC1=CC=C(N=C1)F MCULE-5429609024 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.1 NCCCOC1=CN=C(C=C1)F MCULE-7126932961 [2,0,0,0,0,0|1,0,1]=4 59 B12R1.1 NCCCSC1=CC=C(C=C1)F MCULE-8733793775 [2,0,0,0,0,0|0,1,1]=4 60 B12R1.1 NCCCSC1=CC=C(C=C1)F MCULE-9941719728 [2,0,0,0,0,0|0,1,1]=4 61 B12R1.1 OCCCOC1=CC=C(C=C1)F MCULE-2279899178 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.21 C=C(Br)CCC1=CC=C(C=C1)F MCULE-3337987862 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.21 C=C(C)CCC1=CC=C(C=C1)Br MCULE-7467911388 [2,0,0,0,0,0|1,1,0]=4 64 B12R1.21 C=C(C)CCC1=CC=C(C=C1)C MCULE-6311902974 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.21 C=C(C)CCC1=CC=C(C=C1)Cl MCULE-4308113169 [2,0,0,0,0,0|1,1,0]=4 66 B12R1.21 C=C(C)CCC1=CC=C(C=C1)F MCULE-9034249023 [2,0,0,0,0,0|1,0,0]=3 67 B12R1.21 C=C(C)CNC1=CC=C(C=C1)Cl MCULE-6192235728 [2,0,0,0,0,0|1,1,0]=4 68 B12R1.21 C=C(C)COC1=CC=C(C=C1)F MCULE-6325581603 [2,0,0,0,0,0|0,0,0]=2 69 B12R1.21 C=C(C)COC1=CC=C(C=C1)N MCULE-7033178988 [2,0,0,0,0,0|1,0,0]=3 70 B12R1.21 C=C(C)COC1=CC=C(C=C1)N MCULE-7232037248 [2,0,0,0,0,0|1,0,0]=3 71 B12R1.21 C=C(Cl)CCC1=CC=C(C=C1)F MCULE-6955659857 [2,0,0,0,0,0|2,0,0]=4 72 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F MCULE-4146230731 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.21 CC(=O)COC1=CC=C(C=C1)Br MCULE-9922743680 [2,0,0,0,0,0|1,1,0]=4 74 B12R1.21 CC(=O)COC1=CC=C(C=C1)Cl MCULE-9629148904 [2,0,0,0,0,0|1,1,0]=4 75 B12R1.21 CC(=O)CSC1=CC=C(C=C1)F MCULE-4598491505 [2,0,0,0,0,0|1,1,0]=4 76 B12R1.21 CC(C)COC1=CC=C(C=C1)F MCULE-9289541643 [2,0,0,0,0,0|0,0,2]=4 77 B12R1.21 CC(N)COC1=CC=C(C=C1)F MCULE-4404536611 [2,0,0,0,0,0|0,0,2]=4 78 B12R1.21 CC1=CC=C(C=C1)OCC(=N)N MCULE-6337515307 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.21 CC1=CC=C(C=C1)OCC(=N)N MCULE-8064545670 [2,0,0,0,0,0|2,0,0]=4 80 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N MCULE-4521305241 [2,0,0,0,0,0|2,0,0]=4 81 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N MCULE-3224112009 [2,0,0,0,0,0|2,0,0]=4 82 B12R1.21 C[C@@H](N)COC1=CC=C(C=C1)F MCULE-4245908705 [2,0,0,0,0,0|0,0,2]=4 83 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br MCULE-6040717455 [2,0,0,0,0,0|1,1,0]=4 84 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br MCULE-6381177571 [2,0,0,0,0,0|1,1,0]=4 85 B12R1.21 N=C(N)COC1=CC=C(C=C1)Cl MCULE-8834081415 [2,0,0,0,0,0|1,1,0]=4 86 B12R1.21 N=C(N)COC1=CC=C(C=C1)Cl MCULE-9946614972 [2,0,0,0,0,0|1,1,0]=4 87 B12R1.21 N=C(N)COC1=CC=C(C=C1)F MCULE-3338705710 [2,0,0,0,0,0|1,0,0]=3 88 B12R1.21 N=C([NH3+])COC1=CC=C(C=C1)F MCULE-7931404979 [2,0,0,0,0,0|1,0,1]=4 89 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F MCULE-9316686554 [2,0,0,0,0,0|2,0,0]=4 90 B12R1.21 NC(=O)CNC1=CC=C(C=C1)F MCULE-5100222404 [2,0,0,0,0,0|2,0,0]=4 91 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br MCULE-1505235153 [2,0,0,0,0,0|1,1,0]=4 92 B12R1.21 NC(=O)COC1=CC=C(C=C1)Cl MCULE-4869532442 [2,0,0,0,0,0|1,1,0]=4 93 B12R1.21 NC(=O)COC1=CC=C(C=C1)F MCULE-4816313895 [2,0,0,0,0,0|1,0,0]=3 94 B12R1.21 NC(=O)COC1=CC=C(C=C1)N MCULE-3622391982 [2,0,0,0,0,0|2,0,0]=4 95 B12R1.21 NC(=O)COC1=CC=C(C=C1)O MCULE-8633247555 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.21 NC(=S)COC1=CC=C(C=C1)Br MCULE-1817353678 [2,0,0,0,0,0|1,1,0]=4 97 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl MCULE-3175411035 [2,0,0,0,0,0|1,1,0]=4 98 B12R1.21 NC(=S)COC1=CC=C(C=C1)F MCULE-7533911700 [2,0,0,0,0,0|1,0,0]=3 99 B12R1.21 O=C(Cl)COC1=CC=C(C=C1)F MCULE-3941859331 [2,0,0,0,0,0|1,1,0]=4 100 B12R1.21 O=C(O)COC1=CC=C(C=C1)F MCULE-9999059727 [2,0,0,0,0,0|2,0,0]=4 101 B12R1.21 [C@@H](C)(O)COC1=CC=C(C=C1)F MCULE-1636871184 [2,0,0,0,0,0|1,0,1]=4 102 B12R1.21 [C@H](C)(O)COC1=CC=C(C=C1)F MCULE-2471780560 [2,0,0,0,0,0|1,0,1]=4 103 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 MCULE-7017178957 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.27 NCC(=O)CCC1=CC=CC=C1 MCULE-4094656106 [2,0,0,0,0,0|2,0,0]=4 105 B12R1.27 NCC(=O)CCC1=CC=CC=C1 MCULE-8867640505 [2,0,0,0,0,0|2,0,0]=4 106 B12R1.27 NCC(O)COC1=CC=CC=C1 MCULE-6040203191 [2,0,0,0,0,0|1,0,1]=4 107 B12R1.27 NCC(O)COC1=CC=CC=C1 MCULE-9281419461 [2,0,0,0,0,0|1,0,1]=4 108 B12R1.27 NC[C@@H](O)COC1=CC=CC=C1 MCULE-7044532278 [2,0,0,0,0,0|1,0,1]=4 109 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 MCULE-3308855758 [2,0,0,0,0,0|1,0,1]=4 110 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 MCULE-7782154972 [2,0,0,0,0,0|1,0,1]=4 111 B12R1.27 NNC(=O)COC1=CC=CC=C1 MCULE-1692184611 [2,0,0,0,0,0|2,0,0]=4 112 B12R1.27 O=C(CCl)COC1=CC=CC=C1 MCULE-6747260923 [2,0,0,0,0,0|2,0,0]=4 113 B12R1.27 OCC(F)COC1=CC=CC=C1 MCULE-8634603114 [2,0,0,0,0,0|1,0,1]=4 114 B14R1.134 CC(OC1=CC=C(C=C1)F)C(=O)NN MCULE-1761998188 [1,1,0,0,0,0|2,0,0]=4 115 B14R1.502 CCNC(=O)COC1=CC=C(C=C1)F MCULE-3545787120 [1,1,0,0,0,0|2,0,0]=4 116 B14R1.502 CCOC(=N)COC1=CC=C(C=C1)F MCULE-2434836279 [1,1,0,0,0,0|2,0,0]=4 117 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F MCULE-9963405269 [1,1,0,0,0,0|2,0,0]=4 118 B14R1.502 CCOC(=[NH2+])COC1=CC=C(C=C1)F MCULE-4179447984 [1,1,0,0,0,0|2,0,0]=4 119 B14R1.502 NNCC(=O)COC1=CC=C(C=C1)F MCULE-3305592284 [1,1,0,0,0,0|1,0,0]=3 120 B14R1.727 NNC(=O)COC1=CC=C(C=C1Cl)F MCULE-2941824063 [1,1,0,0,0,0|2,0,0]=4 121 B14R1.727 NNC(=O)COC1=CC=C(C=C1F)F MCULE-2464775186 [1,1,0,0,0,0|2,0,0]=4 122 B14R1.833 NCC(O)COC1=CC(=C(C=C1)F)F MCULE-7896761933 [1,1,0,0,0,0|1,0,1]=4 123 B14R1.833 NNC(=O)COC1=CC(=C(C=C1)F)Br MCULE-1255609484 [1,1,0,0,0,0|2,0,0]=4 124 B14R1.833 NNC(=O)COC1=CC=C(C(=C1)Cl)F MCULE-7997530054 [1,1,0,0,0,0|2,0,0]=4 125 B14R1.536 NCC(CC1=CC=C(C=C1)F)C(=O)N MCULE-3503967655 [0,1,0,0,1,0|1,0,1]=4 126 B14R1.536 NCC(CC1=CC=C(C=C1)F)C(=O)O MCULE-1762036914 [0,1,0,0,1,0|1,0,1]=4 127 B14R1.536 NCC(CC1=CC=C(C=C1)F)C(=O)O MCULE-4958634262 [0,1,0,0,1,0|1,0,1]=4 128 B14R2.134 NCC1=CC2=CC(=CC=C2C=N1)F MCULE-9561136532 [1,0,0,1,0,0|2,0,0]=4 129 B14R2.953 NC1CC1COC2=CC=C(C=C2)F MCULE-2872639116 [1,0,0,1,0,0|0,0,2]=4 130 B14R2.10626 FC1=CC=C(C=C1)OCC2CNC2 MCULE-6079799696 [1,0,0,1,0,0|0,0,2]=4 131 B14R2.10626 FC1=CC=C(C=C1)OCC2CNC2 MCULE-8675218008 [1,0,0,1,0,0|0,0,2]=4 132 B14R2.92 NCC1=CC=C2C=CC=CC2=C1F MCULE-3267021723 [1,0,0,1,0,0|1,0,1]=4 133 B14R2.92 NCC1=CC=C2C=CC=CC2=C1F MCULE-8548499257 [1,0,0,1,0,0|1,0,1]=4 134 B14R2.72 FC1=CC=C(C=C1)OC2=CNN=C2 MCULE-6296718470 [0,0,0,1,1,0|1,0,1]=4 135 B14R2.1060 CC1=C(OC2=C1C=C(C=C2)F)CN MCULE-6833762514 [0,0,0,1,1,0|1,0,0]=3 136 B14R2.1060 CC1=C(OC2=C1C=C(C=C2)F)CN MCULE-9185649345 [0,0,0,1,1,0|1,0,0]=3 137 B12R1.49 C=CC(=O)CC1=CC=C(C=C1)F MCULE-3297786060 [1,0,0,0,1,0|2,0,0]=4 138 B12R1.49 CC(CN)CC1=CC=C(C=C1)F MCULE-7096613435 [1,0,0,0,1,0|0,0,2]=4 139 B12R1.49 CC(CN)OC1=CC=C(C=C1)F MCULE-2308620066 [1,0,0,0,1,0|0,0,2]=4 140 B12R1.49 CC(CN)OC1=CC=C(C=C1)F MCULE-6219886961 [1,0,0,0,1,0|0,0,2]=4 141 B12R1.49 CC1=CC=C(C=C1)OC(=O)CN MCULE-2426170055 [1,0,0,0,1,0|2,0,0]=4 142 B12R1.49 CC1=CC=C(C=C1)OC(=O)CN MCULE-6016340598 [1,0,0,0,1,0|2,0,0]=4 143 B12R1.49 CCC(=O)CC1=CC=C(C=C1)F MCULE-4623836213 [1,0,0,0,1,0|2,0,0]=4 144 B12R1.49 NCC(=O)CC1=CC=C(C=C1)Br MCULE-1232542255 [1,0,0,0,1,0|1,1,0]=4 145 B12R1.49 NCC(=O)CC1=CC=C(C=C1)Br MCULE-4007027794 [1,0,0,0,1,0|1,1,0]=4 146 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F MCULE-8738023732 [1,0,0,0,1,0|1,0,0]=3 147 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F MCULE-9505150337 [1,0,0,0,1,0|1,0,0]=3 148 B12R1.49 NCC(=O)NC1=CC=C(C=C1)F MCULE-2915677096 [1,0,0,0,1,0|2,0,0]=4 149 B12R1.49 NCC(=O)NC1=CC=C(C=C1)F MCULE-8571709921 [1,0,0,0,1,0|2,0,0]=4 150 B12R1.49 NCC(O)CC1=CC=C(C=C1)F MCULE-8740089240 [1,0,0,0,1,0|1,0,1]=4 151 B12R1.49 NNC(=O)CC1=CC=C(C=C1)F MCULE-4547430437 [1,0,0,0,1,0|2,0,0]=4 152 B12R1.49 NNC(=O)CC1=CC=C(C=C1)F MCULE-9040001796 [1,0,0,0,1,0|2,0,0]=4 153 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F MCULE-1911964961 [1,0,0,0,1,0|2,0,0]=4 154 B12R1.12 NCC(=NO)C1=CC=C(C=C1)F MCULE-3096143120 [0,0,0,0,2,0|2,0,0]=4