0 B12R1.16 CCCC(O)C1=CC=C(Br)C=C1 5101703 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 5353450 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 7114772 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.16 CCNC(=O)C1=CN=C(Cl)C=C1 4028359 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 9071337 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.1 CCCSC1=CC=C(N)C=C1 9071293 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.1 CCNCC1=CC=C(Br)C=C1 4028726 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1 CCNCC1=CC=C(Br)C=C1 4090790 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4024922 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4091184 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.1 CCNCC1=CC=C(F)C=C1 4090089 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.1 CCNCC1=CC=C(F)C=C1 9072018 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 5348174 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 4031601 [1,0,0,0,0,0|1,0,0]=2 27 B13R1.17 C=CCNC(=O)C1=CC=C(Br)C=C1 6235529 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.17 CCCNC(=O)C1=CC=C(Br)C=C1 5346660 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.17 CCCNC(=O)C1=CC=C(Cl)N=C1 9070662 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.17 CCCNC(=O)C1=CC=C(N)C=C1 4028212 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.17 NCCNC(=O)C1=CC=C(F)C=C1 4108191 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.17 NCCNC(=O)C1=CC=C(F)C=C1 9071066 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 4027161 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.132 CC(C)NC(=O)C1=CC=C(O)C=C1 5218790 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 5107372 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.466 CCNC(=O)C1=CC(C)=C(N)C=C1 4028410 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.466 CCNC(=O)C1=CC(N)=C(C)C=C1 4028377 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.466 CCOC(=O)C1=CC(Cl)=C(N)C=C1 4027327 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.466 NC1=CC(C(=O)OCC)=CC=C1C 4025182 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.1511 CCNC(=O)C1=C(Cl)C=C(N)C=C1 4027363 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.1511 CCNC(=O)C1=C(Cl)C=C(N)C=C1 4089153 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(N)C=C1 4028054 [0,1,0,0,0,0|0,0,0]=1 43 B13R2.12 NC1=CC=C(C2=CC=CO2)C=C1 4003073 [0,0,0,1,0,0|1,0,2]=4 44 B13R2.12 NC1=CC=C(C2=CC=CO2)C=C1 4088504 [0,0,0,1,0,0|1,0,2]=4 45 B13R2.5179 O=C1CCOC2=CC(Br)=CC=C12 4045086 [0,0,0,1,0,0|3,0,0]=4 46 B11R1.15 CCCC(=O)C1=CC=C(C)S1 3001487 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 3001490 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 7298288 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.15 CCNC(=O)C1=CC=C(Br)S1 9071382 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.15 CCOC(=O)C1=CN=C(N)N1 4025955 [0,0,0,0,1,0|2,0,0]=3 51 B13R1.19 CC1=CC=C(NC(=O)CCN)C=C1 4027238 [0,0,0,0,0,1|3,0,0]=4 52 B13R1.19 CC1=CC=C(NC(=O)CCN)C=C1 4088902 [0,0,0,0,0,1|3,0,0]=4 53 B13R1.19 CCCC(=O)NC1=CC=C(Br)C=C1 5625303 [0,0,0,0,0,1|2,0,0]=3 54 B13R1.19 CCNC(=O)CC1=CC=C(Br)C=C1 6608061 [0,0,0,0,0,1|2,0,0]=3 55 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 4028134 [0,0,0,0,0,1|0,0,0]=1 56 B13R1.19 COCC(=O)NC1=CC=C(Br)C=C1 6634537 [0,0,0,0,0,1|3,0,0]=4 57 B13R1.19 COCC(=O)NC1=CC=C(N)C=C1 4026850 [0,0,0,0,0,1|2,0,0]=3 58 B13R1.19 NCCC(=O)NC1=CC=C(F)C=C1 4027457 [0,0,0,0,0,1|3,0,0]=4 59 B13R1.19 NCCC(=O)NC1=CC=C(F)C=C1 4088994 [0,0,0,0,0,1|3,0,0]=4 60 B13R1.19 O=C(CCCl)NC1=CC=C(Cl)C=C1 5356305 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [2,0,0,0,0,0|0,1,0]=3 62 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [2,0,0,0,0,0|0,1,0]=3 63 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.1 COCCOC1=CC=C(N)C=C1 4003841 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 9070890 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4017585 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.69 CCCOC1=C(Cl)C=C(N)C=C1 4028610 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.17 CCNC(=O)C1=CC(Cl)=NC=C1 4026819 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.17 CCNC(=O)C1=CC=CC(Br)=C1 5664757 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.17 CCNC(=O)C1=CC=CC(N)=C1 4028364 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 3002136 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.30 CCCCC(=O)C1=CC=CN=C1 4026601 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.30 NCCNC(=O)C1=CC=CN=C1 6762334 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 4026598 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 5348641 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 4027146 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 4033046 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4034036 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.5 CNC(=O)C1=CC=C(CO)C=C1 4032667 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.20 CN(C)C(=O)C1=CC=C(O)C=C1 5649432 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.367 CC1=CC=C(C(=O)CCl)C=C1C 4032725 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 4303058 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4028100 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.367 CNC(=O)C1=CC(N)=C(C)C=C1 4027660 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.367 CNC(=O)C1=CC(N)=C(Cl)C=C1 4027253 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.367 CNC(=O)C1=CC(N)=C(F)C=C1 4034187 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4040035 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4090013 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.1703 CCC(=O)C1=CC=C(C)C=C1C 4303057 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 4028447 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4029362 [1,1,0,0,0,0|0,0,0]=2 96 B12R1.312 CCOC(=O)C1=CC=C(CN)O1 4141272 [0,1,0,0,1,0|1,0,0]=3 97 B12R1.313 CCOC(=O)C1=C(N)SC(C)=C1 4143064 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.314 CCOC(=O)C1=CC(Br)=C(C)N1 4085440 [0,1,0,0,1,0|2,0,0]=4 99 B14R1.33 CCCCC(=O)NC1=CC=C(N)C=C1 4022600 [0,1,0,0,0,1|1,0,0]=3 100 B14R1.33 CCCCC(=O)NC1=CC=C(O)C=C1 4021775 [0,1,0,0,0,1|2,0,0]=4 101 B14R1.134 CCC(Cl)C(=O)NC1=CC=C(C)C=C1 5984163 [0,1,0,0,0,1|2,0,0]=4 102 B14R1.698 CC(C)CC(=O)NC1=CC=C(N)C=C1 4022605 [0,1,0,0,0,1|1,0,0]=3 103 B14R1.698 CC(C)CC(=O)NC1=CC=C(O)C=C1 4021776 [0,1,0,0,0,1|2,0,0]=4 104 B14R1.698 CN(C)CC(=O)NC1=CC=C(N)C=C1 4028276 [0,1,0,0,0,1|2,0,0]=4 105 B14R1.967 CCCC(=O)NC1=CC=C(C)C(N)=C1 4027019 [0,1,0,0,0,1|2,0,0]=4 106 B14R1.6823 CCCC(=O)NC1=C(C)C=C(N)C=C1 4022599 [0,1,0,0,0,1|1,0,0]=3 107 B14R1.6823 CCCC(=O)NC1=C(C)C=C(N)C=C1 4088487 [0,1,0,0,0,1|1,0,0]=3 108 B14R1.6823 CCCC(=O)NC1=CC=C(C)C=C1N 4027703 [0,1,0,0,0,1|2,0,0]=4 109 B14R1.6823 COCC(=O)NC1=CC=C(N)C=C1C 4028483 [0,1,0,0,0,1|2,0,0]=4 110 B14R1.6823 COCC(=O)NC1=CC=C(N)C=C1Cl 4027566 [0,1,0,0,0,1|2,0,0]=4 111 B14R1.19 COCCNC(=O)C1=CC=C(N)C=C1 4028658 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.125 CCCNS(=O)(=O)C1=CC=C(N)C=C1 7993027 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.941 CCCNC(=O)C1=CC(C)=C(N)C=C1 4028453 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.941 CCCNC(=O)C1=CC(N)=C(C)C=C1 4028171 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.941 CCCNC(=O)C1=CC(N)=C(C)C=C1 4089373 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.941 CCCNC(=O)C1=CC(N)=C(Cl)C=C1 4027384 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.2523 CCCNC(=O)C1=C(Cl)C=C(N)C=C1 4027792 [0,2,0,0,0,0|1,0,0]=3 118 B14R1.685 CC(C)NC(=O)C1=CC(N)=C(Cl)C=C1 4028567 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.685 CC(C)OC(=O)C1=CC=C(Cl)C(N)=C1 4024618 [0,2,0,0,0,0|1,0,0]=3 120 B14R1.685 CC1=C(N)C=C(C(=O)NC(C)C)C=C1 4028050 [0,2,0,0,0,0|2,0,0]=4 121 B14R1.685 CC1=C(N)C=CC(C(=O)NC(C)C)=C1 4028749 [0,2,0,0,0,0|1,0,0]=3 122 B14R1.6048 CC(C)NC(=O)C1=C(Cl)C=C(N)C=C1 4029854 [0,2,0,0,0,0|1,0,0]=3 123 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 4026593 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 4031120 [1,0,0,1,0,0|0,0,0]=2 126 B14R2.926 NC1=CC=C(N2CCCC2=O)C=C1 4028296 [0,0,0,1,0,1|1,0,0]=3 127 B14R2.926 O=C1CCCN1C2=CC=C(O)C=C2 5137345 [0,0,0,1,0,1|2,0,0]=4 128 B14R2.926 O=C1OCCN1C2=CC=C(O)C=C2 4032750 [0,0,0,1,0,1|1,0,0]=3 129 B14R2.20 CC1=NN=C(C2=CC=C(N)C=C2)O1 4021029 [0,1,0,1,0,0|1,0,1]=4 130 B14R2.20 CC1=NOC(C2=CC=C(N)C=C2)=N1 4030583 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.14 CCC(=O)C1=CC=C(Br)S1 4303054 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.14 CCC(=O)C1=CC=C(C)S1 4303052 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.14 COC(=O)C1=NNC(N)=C1 4040251 [1,0,0,0,1,0|2,0,0]=4 134 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4028558 [1,0,0,0,0,1|2,0,0]=4