0 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.18 CC(NC1=NC=CC=N1)=O AK137493 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.18 S=C(N)NC1=NC=CC=C1 AK158972 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 C1=CC=NN=C1OCC AK-50551 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CCCC1=NC=CN=C1 AK305719 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 CCNC1=CC=CN=C1 AK126739 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 CCNC1=NC=CN=C1 AK159718 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.20 CC(C)OC1=CC=C(I)N=N1 AK104713 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.20 CC(NC1=NC=C(Br)C=C1)=O AK-32386 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.20 CC(OC1=CN=C(Cl)C=C1)C AK143478 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.20 FC(F)OC1=NC=C(Br)C=C1 AK-50225 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.20 NC1=CC=C(OC(F)F)N=C1 AK132613 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.36 FC(F)C(=O)C1=NC=CC=C1 AK104000 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.40 O=C(NC1=NC=CC=C1)CCl AK-32350 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.86 C1=C(OC(C)C)C(=CC=C1)N AK-39887 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.86 CC(C)CC1=NC=CN=C1C AK-59003 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.86 CC(C)OC1=CC=CC=C1Br AK-45390 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.86 CC(NC1=NC=CC=C1O)=O AK124571 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.86 CC(OC1=NC=CC=C1Br)C AK127008 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.86 FC(F)OC1=NC=CC=C1Br AK131892 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.86 NC1=CC=CN=C1OC(F)F AK131553 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.86 O=C(O)CC1=NC=CC=C1Cl AK-88771 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.86 OC1=CC=CN=C1CN(C)C AK-34123 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 AK-41020 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.157 CC(C)CC1=CC(Br)=CC=C1 AK148389 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.157 CC(NC1=NC=CC(Cl)=C1)=O AK-29058 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AK130105 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.157 FC(F)OC1=CC=CC(Br)=N1 AK131657 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.157 FC(F)OC1=CC=CC(Cl)=N1 AK131684 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.157 FC(F)OC1=NC=CC(Br)=C1 AK132111 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.157 NC1=CC(OC(F)F)=NC=C1 AK131555 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.157 NC1=NC(OC(F)F)=CC=C1 AK132612 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.157 OC1=CC(OC(F)F)=NC=C1 AK129432 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.509 CC(OC1=CC=CN=C1)(C)C AK167270 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.509 CC(OC1=NC=CC=C1)(C)C AK161535 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AK106161 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.509 C[N+](C)(CC1=CC=CC=C1)C AK-76496 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.509 C[N+](CC1=CC=CC=C1)(C)C AK-44880 [0,1,0,0,0,0|2,0,0]=3 97 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,1,0,0|2,0,0]=3 98 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,0,0,1,0,0|1,0,2]=4 99 B11R2.10 CC1=CC2=CC=CN=C2N1 AK-25051 [0,0,0,1,0,0|1,0,2]=4 100 B11R2.10 CC1=NC2=NC=CC=C2N1 AK-39947 [0,0,0,1,0,0|2,0,1]=4 101 B11R2.10 CC1=NC2=NC=CC=C2O1 AK-30675 [0,0,0,1,0,0|2,0,1]=4 102 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [0,0,0,1,0,0|2,0,1]=4 103 B11R2.10 NC1CC2=C(C=CC=C2)C1 AK-51756 [0,0,0,1,0,0|2,0,0]=3 104 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [0,0,0,1,0,0|2,0,1]=4 105 B11R2.10 OC1CC2=C(C=CC=C2)C1 AK-94248 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,0,0,1,0|1,0,1]=3 107 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [0,0,0,0,1,0|2,0,1]=4 108 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [0,0,0,0,1,0|0,0,0]=1 109 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,0,0,0,1,0|2,0,1]=4 110 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [0,0,0,0,1,0|2,0,1]=4 111 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [0,0,0,0,1,0|2,0,1]=4 112 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [0,0,0,0,1,0|2,0,0]=3 115 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [0,0,0,0,1,0|1,0,0]=2 116 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [0,0,0,0,1,0|1,0,0]=2 117 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [0,0,0,0,1,0|2,0,0]=3 118 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [0,0,0,0,1,0|3,0,0]=4 119 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [0,0,0,0,1,0|1,0,0]=2 120 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [0,0,0,0,1,0|2,0,0]=3 121 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [0,0,0,0,1,0|3,0,0]=4 122 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [0,0,0,0,1,0|1,0,0]=2 123 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [0,0,0,0,1,0|3,0,0]=4 124 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [0,0,0,0,1,0|3,0,0]=4 125 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [0,0,0,0,1,0|2,0,1]=4 126 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [0,0,0,0,1,0|1,0,0]=2 127 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [0,0,0,0,1,0|2,0,1]=4 128 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [0,0,0,0,1,0|3,0,0]=4 129 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [0,0,0,0,1,0|1,0,0]=2 130 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [0,0,0,0,1,0|2,0,1]=4 131 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,0,0,0,1,0|2,0,1]=4 132 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,0,0,0,1,0|2,0,1]=4 133 B9R1.6 OB(C1=NC=CC=C1)O AK-26642 [0,0,0,0,1,0|3,0,0]=4 134 B9R1.13 CC(C)CC1=NC=CS1 AK114248 [0,0,0,0,1,0|1,0,0]=2 135 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [0,0,0,0,1,0|1,0,1]=3 136 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,0,0,0,0,1|2,0,1]=4 137 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,1,0,0,0|1,0,0]=3 138 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [2,0,0,0,0,0|1,0,0]=3 139 B8R1.2 BrCC1=NC=CN=C1 AK143784 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 BrCC1=NC=NC=C1 AK109329 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 BrCC1=NN=CC=C1 AK-77169 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 C1=C(N=CC=C1)C#C AK-39840 [2,0,0,0,0,0|0,0,2]=4 143 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.2 CNC1=NC=CC=N1 AK-27708 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 COC1=CC=CN=N1 AK-28954 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 CSC1=NC=CN=C1 AK-41535 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 ClCC1=NC=CC=N1 AK-29240 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.2 N#CC1=NC=CC=C1 AK-76752 [2,0,0,0,0,0|1,0,1]=4 152 B8R1.2 N1=C(N=CC=C1)CN AK-23656 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 NCC1=NC=CC=N1 AK-73144 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.2 NCC1=NC=CN=C1 AK-50813 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 NCC1=NC=NC=C1 AK-23966 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 NNC1=NC=CC=C1 AK-26026 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|1,0,0]=3 158 B8R1.2 OCC1=NC=CC=N1 AK-25156 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 OCC1=NC=NC=C1 AK-31889 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.1 BrC1=CN=C(C=C1)CC#N AK-34627 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.1 C1=CC(=NN=C1OCC)N AK-24902 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.1 CCOC1=CC=C(Cl)N=N1 AK-53475 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.1 CCOC1=CN=C(N)C=N1 AK-24225 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.1 CCOC1=NC=C(Br)C=N1 AK-83464 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.1 ClC1=CN=C(CC#N)C=C1 AK-78582 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.4 CC1=CC=CC=C1CCO AK117334 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.4 CCOC1=NC=CC=C1Br AK-45982 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.4 COCC1=NC=CN=C1Cl AK-52707 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.4 N#CCC1=NC=CC=C1Br AK131427 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.4 N#CCC1=NC=CC=C1F AK131439 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.4 NC1=NC=CN=C1NCC AK-23940 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.4 NC1=NC=CN=C1OCC AK-23934 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.4 OC1=CC=CC=C1CCN AK114741 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.4 OCCC1=CC=CC=C1I AK149280 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.10 CCNC1=NC(Cl)=NC=C1 AK-53561 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.10 CCOC1=CC=CC(Br)=C1 AK-44617 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.10 CCOC1=NC=CC(Br)=C1 AK129551 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.10 CCOC1=NC=NC(C)=C1 AK-35271 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.10 COCC1=NC(Cl)=NC=C1 AK-52710 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.10 NC1=CC(=NC=C1)NCC AK-47602 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [1,1,0,0,0,0|0,0,0]=2 262 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.17 NCCNC1=NC=CC=N1 AK-58765 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [1,1,0,0,0,0|0,0,0]=2 271 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [0,1,0,0,1,0|1,0,0]=3 274 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [0,1,0,0,1,0|2,0,0]=4 275 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [0,1,0,0,1,0|2,0,0]=4 276 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [0,1,0,0,1,0|2,0,0]=4 277 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,1,0,0,1,0|1,0,1]=4 278 B10R1.13 CC(C1=NC=C(Br)C=N1)C AK173649 [0,1,0,0,1,0|1,0,0]=3 279 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,1,0,0,1,0|1,0,1]=4 280 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,1,0,0,1,0|1,0,1]=4 281 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [0,1,0,0,1,0|2,0,0]=4 282 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [0,1,0,0,1,0|1,0,0]=3 283 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [0,1,0,0,1,0|2,0,0]=4 284 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [0,1,0,0,1,0|2,0,0]=4 286 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.13 CN(C)C1=NC=C(Br)C=C1 AK-25675 [0,1,0,0,1,0|1,0,0]=3 289 B10R1.13 CN(C)C1=NC=C(Br)N=C1 AK136914 [0,1,0,0,1,0|2,0,0]=4 290 B10R1.13 CN(C)C1=NC=C(I)C=C1 AK117849 [0,1,0,0,1,0|1,0,0]=3 291 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 AK111703 [0,1,0,0,1,0|2,0,0]=4 292 B10R1.13 CN(C1=NC=C(Br)C=N1)C AK-22026 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [0,1,0,0,1,0|2,0,0]=4 296 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 AK204056 [0,1,0,0,1,0|1,0,0]=3 297 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [0,1,0,0,1,0|2,0,0]=4 298 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [0,1,0,0,1,0|2,0,0]=4 299 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [0,1,0,0,1,0|2,0,0]=4 300 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK173009 [0,1,0,0,1,0|1,0,0]=3 301 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK321169 [0,1,0,0,1,0|1,0,0]=3 302 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 AK668421 [0,1,0,0,1,0|1,0,0]=3 303 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [0,1,0,0,1,0|2,0,0]=4 304 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.13 FC(C1=NC=C(Br)C=C1)F AK103226 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.13 NC1=CC=C(C(C)C)N=C1 AK-30855 [0,1,0,0,1,0|0,0,0]=2 307 B10R1.13 NC1=CC=C(C(F)F)N=C1 AK143270 [0,1,0,0,1,0|2,0,0]=4 308 B10R1.13 NC1=CC=C(N=C1)C(F)F AK104590 [0,1,0,0,1,0|2,0,0]=4 309 B10R1.13 NC1=CN=C(N(C)C)N=C1 AK101155 [0,1,0,0,1,0|2,0,0]=4 310 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [0,1,0,0,1,0|2,0,0]=4 316 B10R1.28 CC(C)(C)C1=CC=NC=C1 AK-88357 [0,1,0,0,1,0|2,0,0]=4 317 B10R1.28 CC(C)(O)C1=NC=CC=C1 AK111321 [0,1,0,0,1,0|0,0,0]=2 318 B10R1.28 CC(N)(C1=CC=CC=C1)C AK116559 [0,1,0,0,1,0|1,0,0]=3 319 B10R1.28 CC(N)(C1=CC=CN=C1)C AK-86166 [0,1,0,0,1,0|2,0,0]=4 320 B10R1.28 CC(N)(C1=NC=CC=C1)C AK-64527 [0,1,0,0,1,0|0,0,0]=2 321 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 AK-59630 [0,1,0,0,1,0|2,0,0]=4 322 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 AK-47822 [0,1,0,0,1,0|0,1,0]=3 323 B10R1.28 FC(F)(F)C1=CC=CC=N1 AK-27001 [0,1,0,0,1,0|2,0,0]=4 324 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [0,1,0,0,1,0|2,0,0]=4 325 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [0,1,0,0,1,0|1,0,1]=4 326 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [0,1,0,0,1,0|1,0,0]=3 327 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [0,1,0,0,1,0|1,0,0]=3 328 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [0,1,0,0,1,0|1,0,1]=4 329 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [0,1,0,0,1,0|1,0,1]=4 330 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [0,1,0,0,1,0|1,0,1]=4 331 B10R1.61 CC(N)C1=CC=CC=C1Br AK548207 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.61 CC(N)C1=CC=CC=C1Cl AK-78769 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.61 CC(N)C1=CC=CC=C1Cl AK133214 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.61 CC(N)C1=CC=CC=C1F AK-78757 [0,1,0,0,1,0|2,0,0]=4 335 B10R1.61 CC(N)C1=NC=CC=C1C AK670791 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [0,1,0,0,1,0|2,0,0]=4 337 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [0,1,0,0,1,0|2,0,0]=4 338 B10R1.61 CN(C)C1=NC=CN=C1Cl AK124994 [0,1,0,0,1,0|2,0,0]=4 339 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK114068 [0,1,0,0,1,0|2,0,0]=4 340 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK155333 [0,1,0,0,1,0|2,0,0]=4 341 B10R1.61 C[C@@H](N)C1=CC=CC=C1C AK-45079 [0,1,0,0,1,0|2,0,0]=4 342 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl AK-42131 [0,1,0,0,1,0|2,0,0]=4 343 B10R1.61 C[C@@H](N)C1=CC=CC=C1F AK-33841 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [0,1,0,0,1,0|2,0,0]=4 345 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK-59163 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK174547 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.61 C[C@H](N)C1=CC=CC=C1C AK162902 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK-36100 [0,1,0,0,1,0|2,0,0]=4 349 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK162903 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.61 NC(C1=CC=CC=C1Br)C AK-50562 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.61 NC1=C(C(C)C)C=NC=C1 AK349169 [0,1,0,0,1,0|2,0,0]=4 354 B10R1.61 NC1=NC=CN=C1N(C)C AK-23941 [0,1,0,0,1,0|2,0,0]=4 355 B10R1.61 N[C@@H](C1=CC=CC=C1F)C AK-42098 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.113 BrC1=CC(=NC=C1)N(C)C AK-49151 [0,1,0,0,1,0|1,0,0]=3 357 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [0,1,0,0,1,0|1,0,1]=4 358 B10R1.113 CC(C1=CC(Br)=CC=C1)C AK-61854 [0,1,0,0,1,0|1,0,0]=3 359 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [0,1,0,0,1,0|1,0,1]=4 360 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [0,1,0,0,1,0|1,0,1]=4 361 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,1,0,0,1,0|1,0,1]=4 362 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,1,0,0,1,0|1,0,1]=4 363 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.113 CC(O)C1=NC(Br)=CC=C1 AK-58995 [0,1,0,0,1,0|1,0,0]=3 365 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,1,0,0,1,0|1,0,1]=4 366 B10R1.113 CN(C)C1=CC=CC(Br)=C1 AK-63444 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.113 CN(C)C1=CN=CC(Cl)=N1 AK-74056 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.113 CN(C)C1=NC=CC(Br)=N1 AK-64819 [0,1,0,0,1,0|2,0,0]=4 369 B10R1.113 CN(C)C1=NC=CC(Cl)=N1 AK160028 [0,1,0,0,1,0|2,0,0]=4 370 B10R1.113 CN(C)C1=NC=NC(Cl)=C1 AK-74042 [0,1,0,0,1,0|2,0,0]=4 371 B10R1.113 C[C@@H](C1=CC=CC(N)=C1)N AK326677 [0,1,0,0,1,0|2,0,0]=4 372 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK-33750 [0,1,0,0,1,0|2,0,0]=4 373 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK338979 [0,1,0,0,1,0|2,0,0]=4 374 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [0,1,0,0,1,0|2,0,0]=4 375 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [0,1,0,0,1,0|2,0,0]=4 376 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 AK-29516 [0,1,0,0,1,0|2,0,0]=4 377 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 AK668445 [0,1,0,0,1,0|1,0,0]=3 378 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [0,1,0,0,1,0|2,0,0]=4 379 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK-33217 [0,1,0,0,1,0|2,0,0]=4 380 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK338984 [0,1,0,0,1,0|2,0,0]=4 381 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 AK-35182 [0,1,0,0,1,0|2,0,0]=4 382 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [0,1,0,0,1,0|2,0,0]=4 383 B10R1.113 FC(C1=NC=CC(Br)=C1)F AK123527 [0,1,0,0,1,0|2,0,0]=4 384 B10R1.113 NC1=CC(C(F)F)=NC=C1 AK549120 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.113 NC1=CC(N(C)C)=CC=C1 AK162007 [0,1,0,0,1,0|2,0,0]=4 386 B10R1.113 NC1=NC(C(C)C)=CC=C1 AK-29534 [0,1,0,0,1,0|0,0,0]=2 387 B10R1.113 N[C@@H](C1=CC=CC(F)=C1)C AK-45028 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.113 N[C@H](C1=CC=CC(F)=C1)C AK-42995 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.113 OC1=CC=CC(N(C)C)=C1 AK-51741 [0,1,0,0,1,0|2,0,0]=4 390 B10R1.113 OC1=CC=CC([C@H](N)C)=C1 AK-77840 [0,1,0,0,1,0|2,0,0]=4 391 B10R1.27 OCC(O)CN1N=CC=C1 AK174610 [0,1,0,0,1,0|2,0,0]=4 392 B10R1.54 CC(C)CN1N=CC(I)=C1 AK-94545 [0,1,0,0,1,0|1,0,0]=3 393 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [0,1,0,0,0,1|2,0,0]=4 394 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,1,0,0,0,1|1,0,0]=3 395 B12R1.891 CC(O)(C)C#CC1=CC=CC=C1 AK-63782 [0,1,0,0,0,1|1,0,1]=4 396 B12R1.891 C[Si](C)(C)C#CC1=CC=CC=N1 AK101982 [0,1,0,0,0,1|0,1,1]=4 397 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 AK-43945 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 AK161945 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.4 N#CC1=CC=C(CN(C)C)C=C1 AK107181 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.4 N#CC1=CN=C(OC(C)C)C=C1 AK136951 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.4 NNC1=CC=C(OC(C)C)C=C1 AK153556 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.4 O=CC1=CN=C(OC(C)C)C=C1 AK-62071 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.20 CC(C)[C@@H](C1=CC=C(Br)C=C1)N AK684523 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.49 O=C(OC)CC1=NC=C(Br)C=C1 AK144847 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.106 CC(C)(C)OC1=CC=C(Cl)N=N1 AK-63860 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 AK-87246 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.233 CC(OC1=CC=C(Br)C=C1Cl)C AK-61659 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.225 CC(C)C(C1=CC=CC(Br)=C1)=O AK105989 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.225 OC1=CC=CC(C(N(C)C)C)=C1 AK-32756 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.225 OC1=CC=CC([C@@H](N(C)C)C)=C1 AK-51758 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.225 OC1=CC=CC([C@H](N(C)C)C)=C1 AK-36564 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.478 CC(C(C1=NC=CC=C1)C#N)=O AK601335 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.564 CC(C(C1=CC=CC=C1)N)(C)C AK-46103 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.564 CC(C)(C)[C@H](C1=CC=CC=C1)N AK167726 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.564 CC(C)(O)C(C1=CC=CC=C1)=O AK-98815 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.50 O=C(OC)CC1=NC(Cl)=CC=C1 AK-63367 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 AK158851 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.50 OC[C@@H](N)CC1=CC=CC(Cl)=C1 AK191230 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.75 COC1=NC=CN=C1CC(C)C AK116596 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.75 O=CC1=C(OC(C)C)N=CC=C1 AK154317 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.127 CC(OC1=CC(Br)=CC=C1Cl)C AK167908 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.127 CC(OC1=NC(Cl)=NC=C1Br)C AK171818 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.127 NC1=CC=C(F)C=C1OC(C)C AK158053 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.151 NC1=CC=CC=C1NC(C)(C)C AK548921 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.151 NC1=CC=CC=C1SC(C)(C)C AK340253 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.101 CC(OC1=CC(Br)=CC(Br)=C1)C AK-61451 [0,2,0,0,0,0|2,0,0]=4 433 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [1,0,0,1,0,0|2,0,0]=4 434 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [1,0,0,1,0,0|2,0,0]=4 435 B10R2.7 C12=NC=CC=C1CCN2 AK-23969 [1,0,0,1,0,0|1,0,0]=3 436 B10R2.7 C12=NC=CC=C1CNC2 AK-27514 [1,0,0,1,0,0|1,0,0]=3 437 B10R2.7 C12=NC=NC=C1CNC2 AK-24694 [1,0,0,1,0,0|2,0,0]=4 438 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [1,0,0,1,0,0|2,0,0]=4 439 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,1,0,0|2,0,0]=4 440 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,0,0,1,0,1|2,0,0]=4 441 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [0,0,0,1,0,1|1,0,0]=3 442 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,0,0,1,0,1|2,0,0]=4 443 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AK146007 [0,0,0,1,0,1|1,0,0]=3 444 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [0,0,0,1,0,1|2,0,0]=4 445 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AK-78514 [0,0,0,1,0,1|2,0,0]=4 446 B12R2.24 NC1CNC2=CC=CC=C2C1 AK-68575 [0,0,0,1,0,1|2,0,0]=4 447 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [0,0,0,1,0,1|2,0,0]=4 448 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [0,0,0,1,0,1|2,0,0]=4 449 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,0,0,1,0,1|2,0,0]=4 450 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 AK139225 [0,0,0,1,0,1|1,0,0]=3 451 B12R2.606 BrC1=CC=C2CC(CC2=C1)O AK-36598 [0,1,0,1,0,0|2,0,0]=4 452 B12R2.606 CC1NC2=C(C=C(F)C=C2)C1 AK-89513 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.606 NC1=CC2=C(CN(C)C2)C=C1 AK173245 [0,1,0,1,0,0|2,0,0]=4 454 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 AK-34676 [0,1,0,1,0,0|2,0,0]=4 455 B12R2.606 NC1CC2=C(C=C(F)C=C2)C1 AK-32562 [0,1,0,1,0,0|2,0,0]=4 456 B12R2.606 NC1CC2=C(C=C(I)C=C2)C1 AK136096 [0,1,0,1,0,0|2,0,0]=4 457 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [0,1,0,1,0,0|2,0,0]=4 458 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 AK-27059 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.18 O[C@H]1[C@@H](N)C2=C(C=CC=C2)C1 AK-25342 [0,1,0,1,0,0|2,0,0]=4 460 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,1,0,1,0,0|1,0,0]=3 461 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [0,1,0,1,0,0|1,0,0]=3 462 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [0,1,0,1,0,0|2,0,0]=4 463 B12R2.202 OC1CC2=C(C(Br)=CC=C2)C1 AK146728 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [1,0,0,0,1,0|1,0,0]=3 465 B8R1.8 CCCC1=NC=CS1 AK-60893 [1,0,0,0,1,0|1,0,0]=3 466 B8R1.8 CCCN1C=CN=C1 AK111106 [1,0,0,0,1,0|2,0,0]=4 467 B8R1.8 CCOC1=NC=CS1 AK-79313 [1,0,0,0,1,0|2,0,0]=4 468 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,0,0,0,1,0|2,0,0]=4 469 B8R1.8 CNCC1=CSC=C1 AK-49561 [1,0,0,0,1,0|2,0,0]=4 470 B8R1.8 NCCC1=CC=CS1 AK-44822 [1,0,0,0,1,0|2,0,0]=4 471 B8R1.8 NCCC1=CNC=N1 AK-29414 [1,0,0,0,1,0|2,0,0]=4 472 B8R1.8 NCCC1=CSC=C1 AK-28310 [1,0,0,0,1,0|2,0,0]=4 473 B8R1.8 NCCC1=CSC=C1 AK-49962 [1,0,0,0,1,0|2,0,0]=4 474 B8R1.8 NCCC1=NC=CN1 AK170004 [1,0,0,0,1,0|2,0,0]=4 475 B8R1.8 NCCN1C=CC=C1 AK-34573 [1,0,0,0,1,0|2,0,0]=4 476 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,0,0,0,1,0|2,0,0]=4 477 B8R1.8 OCCC1=CSC=C1 AK-68259 [1,0,0,0,1,0|2,0,0]=4 478 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,0,0,0,2,0|1,0,0]=3 479 B8R1.7 CC(C1=NC=CN1)C AK106223 [0,0,0,0,2,0|1,0,0]=3 480 B8R1.7 CC(N)C1=NC=CS1 AK-77903 [0,0,0,0,2,0|2,0,0]=4 481 B8R1.7 CC(N)C1=NC=CS1 AK-77904 [0,0,0,0,2,0|2,0,0]=4 482 B8R1.7 CC(N1C=CN=C1)C AK-79287 [0,0,0,0,2,0|2,0,0]=4 483 B8R1.7 CC(N1N=CC=C1)C AK-61646 [0,0,0,0,2,0|1,0,0]=3 484 B8R1.7 C[C@@H](N)C1=NC=CS1 AK153996 [0,0,0,0,2,0|2,0,0]=4 485 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,0,0,0,2,0|2,0,0]=4 486 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,0,0,0,2,0|2,0,0]=4 487 B8R1.7 C[C@H](N)C1=NC=CS1 AK153993 [0,0,0,0,2,0|2,0,0]=4 488 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,0,0,0,0,2|2,0,0]=4