0 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 AK-26794 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl AK-26712 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 AK-75781 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.4825 FC1=C2NC(C(C2=CC=C1)=O)=O AK-29137 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 AK665664 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O AK-24554 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.196 OC1=CC=CC2=C1C=CN2C AK-77291 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.202 BrC1=C2CC(NC2=NC=C1)=O AK-27825 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.202 C1=C2NC(CC2=C(Br)C=C1)=O AK-39917 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.202 CC=1NC2=C(C1)C(=CC=C2)Br AK-67965 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.202 ClC1=C2CC(NC2=NC=C1)=O AK-27550 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.202 FC1=C2NC(Cl)=NC2=CC=C1 AK-30683 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.202 FC1=CC=CC2=C1NC(=O)S2 AK-87026 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.202 NC1=NC2=C(C)C=CC=C2N1 AK151278 [1,0,0,0,0,0|1,0,1]=3 17 B12R2.202 NC1=NC2=C(C)C=CC=C2S1 AK-80123 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.202 NC1=NC2=C(N1)C=CC=C2Br AK100725 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.202 NC1=NC2=CC=CC(C)=C2S1 AK128623 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.202 O=C1CC2=C(C(Cl)=CC=C2)C1 AK113491 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 AK-64386 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.202 O=C1CC2=NC=CC(C)=C2N1 AK-59577 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.202 O=C1NC2=C(C(C)=CC=C2)C1 AK-57812 [1,0,0,0,0,0|1,0,0]=2 24 B12R2.202 O=C1NC2=C(C(Cl)=CC=C2)C1 AK-34054 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.202 O=C1NC2=C(C(F)=CC=C2)C1 AK-33206 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.202 O=C1NC2=C(C(O)=CC=C2)C1 AK-58192 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.202 O=C1NC2=C(C1)C(=CN=C2)Br AK-88815 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.202 O=C1NC2=C(C=CC=C2Br)C1 AK-41628 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.202 O=C1NC2=C(C=CC=C2Cl)C1 AK-31070 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 AK-51558 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.202 O=C1NC2=C(F)C=CC=C2N1 AK-46854 [1,0,0,0,0,0|1,0,0]=2 32 B12R2.202 O=C1NC2=C(N1)C=NC=C2Br AK-28164 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.202 OC1=CC=CC2=C1C=C(C)N2 AK-23777 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.202 S=C1SC2=C(Cl)C=CC=C2N1 AK128744 [1,0,0,0,0,0|2,1,0]=4 35 B12R2.202 S=C1SC2=CC=CC(C)=C2N1 AK119588 [1,0,0,0,0,0|1,1,0]=3 36 B12R2.202 S=C1SC2=CC=CC(F)=C2N1 AK119590 [1,0,0,0,0,0|2,1,0]=4 37 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 AK-87883 [0,1,0,0,0,0|1,0,1]=3 38 B14R2.9184 O=C1NC2=C(C=C(C)C=C2C)C1=O AK-89762 [0,1,0,0,0,0|1,0,1]=3 39 B14R2.9184 O=C1NC2=C(C=C(F)C=C2Br)C1=O AK115253 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.11645 O=C1NC2=C(C=CC=C2OC)C1=O AK-79361 [0,1,0,0,0,0|1,0,1]=3 41 B14R2.28485 O=C1N(C)C2=C(C=CC=C2F)C1=O AK175294 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.8045 O=C1NC(C2=C(N1)C(=CC=C2)C)=O AK138340 [0,0,0,0,0,1|1,0,1]=3 43 B14R2.8045 O=C1NC(C2=C(N1)C(=CC=C2)F)=O AK-79521 [0,0,0,0,0,1|2,0,1]=4 44 B14R2.8045 O=C1NC(C2=C(N1)C(=CC=C2)I)=O AK-79555 [0,0,0,0,0,1|2,0,1]=4 45 B14R2.8045 O=C1NC2=C(C=CC=C2C)C(O)=C1 AK-99819 [0,0,0,0,0,1|1,0,0]=2 46 B11R1.159 BrC1=C(C(=O)O)C=CC=C1C AK-28470 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.159 C1=C(C(=C(C=C1)C)N)C(O)=O AK-35167 [1,0,1,0,0,0|1,0,0]=3 48 B11R1.159 C1=C(C(=C(C=C1)C)N)[N+](=O)[O-] AK-35684 [1,0,1,0,0,0|0,0,2]=4 49 B11R1.159 C1=C(C(=C(C=C1)O)N)C(O)=O AK-35611 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)C AK-26167 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.159 C1=CC=C(C(=C1C(O)=O)N)F AK-29556 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.159 CC1=CC=CC(C(O)=O)=C1I AK-61437 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.159 NC1=C(Cl)C=CC=C1C(O)=O AK-31072 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.159 O=C(N)C1=CC=CC(C)=C1N AK113423 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.159 O=C(O)C1=CC=CC(Br)=C1N AK-28094 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.159 O=C(O)C1=CC=CC(C)=C1F AK-34640 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.159 O=C(O)C1=CC=CC(I)=C1N AK-64570 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [1,0,1,0,0,0|1,0,0]=3 61 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [1,0,1,0,0,0|1,0,0]=3 72 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.265 O=CC1=C(C)C=CC=C1CC AK192873 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.265 O=CC1=C(C)C=CC=C1OC AK-68264 [1,0,1,0,0,0|2,0,0]=4 80 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [2,0,0,0,0,0|2,0,0]=4 81 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [2,0,0,0,0,0|2,0,0]=4 82 B11R2.1 CN1C=NC2=C1C=CC=C2 AK-51670 [2,0,0,0,0,0|1,0,1]=4 83 B11R2.1 NN1C=CC2=C1C=CC=C2 AK-49867 [2,0,0,0,0,0|2,0,0]=4 84 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [2,0,0,0,0,0|2,0,0]=4 85 B11R2.10 BrC1=NC2=C(N1)C=CC=C2 AK-35600 [2,0,0,0,0,0|1,0,1]=4 86 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [2,0,0,0,0,0|2,0,0]=4 87 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [2,0,0,0,0,0|0,0,0]=2 88 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [2,0,0,0,0,0|1,0,0]=3 89 B11R2.10 C1=CC=NC2=C1OC(N2)=O AK-28047 [2,0,0,0,0,0|2,0,0]=4 90 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [2,0,0,0,0,0|1,0,1]=4 91 B11R2.10 ClC1=NC2=CC=CC=C2N1 AK-26782 [2,0,0,0,0,0|1,0,1]=4 92 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [2,0,0,0,0,0|2,0,0]=4 93 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [2,0,0,0,0,0|2,0,0]=4 94 B11R2.10 N1C2=CC=CN=C2NC1=O AK-24800 [2,0,0,0,0,0|1,0,0]=3 95 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [2,0,0,0,0,0|2,0,0]=4 96 B11R2.10 NC1=NC2=CC=CC=C2N1 AK-54965 [2,0,0,0,0,0|1,0,1]=4 97 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [2,0,0,0,0,0|2,0,0]=4 98 B11R2.10 O=C1NC2=C(C1)C=CN=C2 AK-90208 [2,0,0,0,0,0|2,0,0]=4 99 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [2,0,0,0,0,0|1,0,0]=3 100 B11R2.10 O=C1NC2=C(N1)C=NC=C2 AK161520 [2,0,0,0,0,0|1,0,0]=3 101 B11R2.10 O=C1NN2C=CC=CC2=C1 AK-89755 [2,0,0,0,0,0|2,0,0]=4 102 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [2,0,0,0,0,0|2,0,0]=4 103 B11R2.10 O=C1SC2=CC=CN=C2N1 AK438250 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.10 S=C1NC2=NC=CC=C2N1 AK-77047 [2,0,0,0,0,0|1,1,0]=4 105 B11R2.10 S=C1SC2=CC=CC=C2N1 AK-47877 [2,0,0,0,0,0|1,1,0]=4 106 B11R2.106 BrC1=CC=CC2=C1N=C[NH]2 AK-32245 [2,0,0,0,0,0|1,0,1]=4 107 B11R2.106 BrC1=CC=CC2=C1NC=C2 AK-27182 [2,0,0,0,0,0|2,0,0]=4 108 B11R2.106 C1=CC=C(C2=C1[NH]C=C2)Cl AK-29938 [2,0,0,0,0,0|2,0,0]=4 109 B11R2.106 C1=C[NH]C2=C1C(=CC=C2)Br AK-16402 [2,0,0,0,0,0|2,0,0]=4 110 B11R2.106 CC1=C2C(NC=C2)=NC=C1 AK112541 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.106 CC1=C2NC=NC2=CC=C1 AK140118 [2,0,0,0,0,0|0,0,1]=3 112 B11R2.106 CC1=C2[NH]N=CC2=CC=C1 AK-24466 [2,0,0,0,0,0|2,0,0]=4 113 B11R2.106 CC1=CC=CC2=C1C=CN2 AK-45790 [2,0,0,0,0,0|1,0,0]=3 114 B11R2.106 CC1=CC=CC2=C1C=CS2 AK-33268 [2,0,0,0,0,0|2,0,0]=4 115 B11R2.106 CC1=CC=CC2=C1C=NN2 AK-23783 [2,0,0,0,0,0|2,0,0]=4 116 B11R2.106 CC1=CC=CC2=C1NC=C2 AK-36907 [2,0,0,0,0,0|1,0,0]=3 117 B11R2.106 CC1=NC=CC2=C1C=CN2 AK110093 [2,0,0,0,0,0|2,0,0]=4 118 B11R2.106 ClC1=C2NC=NC2=CC=C1 AK139813 [2,0,0,0,0,0|1,0,1]=4 119 B11R2.106 FC1=CC=CC2=C1C=CN2 AK-25895 [2,0,0,0,0,0|2,0,0]=4 120 B11R2.106 FC1=CC=CC2=C1NC=C2 AK-29993 [2,0,0,0,0,0|2,0,0]=4 121 B11R2.106 NC1=C2NC=NC2=CC=C1 AK-30023 [2,0,0,0,0,0|1,0,1]=4 122 B11R2.106 NC1=CC=CC2=C1C=CN2 AK-28017 [2,0,0,0,0,0|2,0,0]=4 123 B11R2.106 OC1=C2C(NC=N2)=CC=C1 AK114476 [2,0,0,0,0,0|1,0,1]=4 124 B11R2.106 OC1=CC=CC2=C1NC=C2 AK-48053 [2,0,0,0,0,0|2,0,0]=4 125 B13R1.91 O=C(NC1=CC=CC=C1OC)CCl AK-98212 [0,1,1,0,0,0|2,0,0]=4 126 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 AK-45349 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.45 O=CC1=NC2=CC=CC=C2N1C AK-27082 [1,1,0,0,0,0|1,0,1]=4 128 B13R2.135 O=C1N(CC)C2=CC=CC=C2N1 AK-92954 [1,1,0,0,0,0|1,0,0]=3 129 B13R2.135 O=CC1C(NC2=C1C=CC=C2)=O AK-90168 [1,1,0,0,0,0|1,0,1]=4 130 B13R2.359 C1=CC=CC2=C1C(C(=O)N2)(C)C AK-39322 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.3028 C1=C(Cl)C=CC2=C1C(C(=O)N2)=O AK-28898 [1,1,0,0,0,0|1,0,1]=4 132 B13R2.3028 C1=C(F)C=CC2=C1C(C(=O)N2)=O AK-29255 [1,1,0,0,0,0|1,0,1]=4 133 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O AK-45956 [1,1,0,0,0,0|1,0,1]=4 134 B13R2.3085 O=C1N(C)C2=CC=CC=C2N1C AK189225 [1,1,0,0,0,0|1,0,0]=3 135 B13R2.4856 BrC1=C2C(=CC=C1)NC(C2=O)=O AK-31884 [1,1,0,0,0,0|1,0,1]=4 136 B13R2.4856 C1=CC=C(C2=C1NC(=O)C2=O)Cl AK-30079 [1,1,0,0,0,0|1,0,1]=4 137 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O AK-34773 [1,1,0,0,0,0|1,0,1]=4 138 B13R2.5190 C1=C(Br)C=CC2=C1NC(=O)C2=O AK-27181 [1,1,0,0,0,0|1,0,1]=4 139 B13R2.5190 C1=C(Cl)C=CC2=C1NC(=O)C2=O AK-30078 [1,1,0,0,0,0|1,0,1]=4 140 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O AK-41871 [1,1,0,0,0,0|1,0,1]=4 141 B13R2.5190 O=C1OC2=CC(Br)=CC=C2N1C AK166925 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.9 C1=C(C2=CC=CC(=C2[NH]1)C)C=O AK-16416 [1,1,0,0,0,0|1,0,1]=4 143 B13R2.54 BrC1=CC=CC2=C1C=C(N2)C=O AK100510 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.581 O=C1SC2=CC=CC(OC)=C2N1 AK-45407 [1,1,0,0,0,0|1,0,0]=3 145 B13R2.5397 O=C1NC2=C(C=C(C)C=C2C)C1 AK115283 [1,1,0,0,0,0|1,0,0]=3 146 B13R2.5397 O=C1NC2=C(C=C(F)C=C2Cl)C1 AK123091 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.5397 O=C1NC2=C(C=C(F)C=C2N)C1 AK-30841 [1,1,0,0,0,0|2,0,0]=4 148 B15R2.22165 COC1=C2NC(=O)C(=O)C2=C(Br)C=C1 AK-82198 [0,2,0,0,0,0|1,0,1]=4 149 B13R2.162 OC1=CC=CC2=C1NC(CO2)=O AK-24440 [0,0,1,1,0,0|2,0,0]=4 150 B13R2.163 C1=CC=CC2=C1NC(=O)CCC2 AK-25978 [0,0,1,1,0,0|2,0,0]=4 151 B13R2.163 O=C1NCCC2=CC=CC=C2N1 AK551054 [0,0,1,1,0,0|1,0,0]=3 152 B13R2.369 O=C1NC2=C(C=CC=C2)CC1N AK-27578 [0,0,1,1,0,0|2,0,0]=4 153 B13R2.328 NC1=CC(NC2=CC=CC=C12)=O AK-26697 [1,0,0,0,0,1|2,0,0]=4 154 B13R2.328 O=C1CC(C2=C(N1)C=CC=C2)=O AK-42607 [1,0,0,0,0,1|1,0,1]=4 155 B13R2.328 O=C1NC(C2=C(N1)C=CC=C2)=O AK-26998 [1,0,0,0,0,1|1,0,1]=4 156 B13R2.328 O=C1NC2=C(C=CC=C2)C(Br)=C1 AK-36929 [1,0,0,0,0,1|2,0,0]=4 157 B13R2.328 O=C1NC2=C(C=CC=C2)N(C)C1 AK-38608 [1,0,0,0,0,1|1,0,0]=3 158 B13R2.328 O=C1OC2=C(C=CC=C2)C(O)=C1 AK-49238 [1,0,0,0,0,1|2,0,0]=4