0 B10R1.113 BrC1=NC(=CC=C1)[N+](=O)[O-] AK-25599 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 BrC1=NC=CC(=C1)N(C)C AK-49139 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.113 C1=C(N=C(C=C1)Cl)[N+]([O-])=O AK-28534 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 AK100632 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.113 CC(C1=NC=NC(C)=C1)=O AK-78932 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.113 CC(O)C1=CC(N)=NC=C1 AK109512 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.113 CC(O)C1=NC(Br)=CC=C1 AK-58995 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.113 CC1=CC=CC(=C1)C(N)=N AK-45199 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.113 CC1=CC=CC(B(O)O)=N1 AK-25864 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.113 CC1=NC=CC(B(O)O)=C1 AK-35728 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.113 CN(C)C1=CC(F)=NC=C1 AK141581 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 AK608012 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 AK668445 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.113 ClC1=NC=CC(=C1)[N+](=O)[O-] AK-25623 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.113 ClC1=NC=CC(=N1)C(=O)O AK-28365 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 AK-39096 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.113 NC1=NC(C(C)C)=CC=C1 AK-29534 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.113 NC1=NC=CC([N+]([O-])=O)=C1 AK-29259 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.113 O=C(C1=CC(=O)N=CN1)O AK-24985 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.113 O=C(C1=NC(Br)=NC=C1)O AK145986 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.113 O=C(C1=NC(Cl)=NC=C1)N AK107035 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.113 O=C(C1=NC(N)=NC=C1)N AK145739 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.113 O=C(C1=NC(N)=NC=C1)O AK-65335 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.113 O=C(C1=NC=NC(C)=C1)O AK114394 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.113 O=C1NC(=CC=N1)C(=O)O AK-30175 [0,0,0,0,0,0|2,0,1]=3 69 B10R1.113 O=[N+](C1=CC(Br)=NC=C1)[O-] AK-28278 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.113 O=[N+](C1=CC(C)=NC=C1)[O-] AK-23785 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.113 OC(=O)C1=NC=NC(Cl)=C1 AK-29233 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.113 [N+](=O)([O-])C1=CC=CC(=N1)N AK-28785 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.2 BrC1=NC(=CC=N1)C#N AK-30715 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.2 BrC1=NC(=CC=N1)OC AK-27677 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.2 C1=C(OC)N=C(N=C1)N AK-22144 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.2 C1=CC(=NC(=C1)C)C#N AK-29900 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.2 C1=CC=C(Br)N=C1C=O AK-25797 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.2 C1=NC(=CC(=C1)C=O)Cl AK-32653 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.2 CC1=CC(=CN=C1)C=O AK-28384 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.2 CC1=CC(=NC=C1)C=O AK-24250 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.2 CC1=CC(OC)=NC=N1 AK340251 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.2 CC1=CC=CC(CBr)=N1 AK-44889 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.2 CC1=CC=CC(CCl)=N1 AK-40015 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.2 CC1=NC=CC(=N1)C=O AK-23647 [1,0,0,0,0,0|0,0,0]=1 91 B9R1.2 CC1=NC=CC(OC)=N1 AK-59113 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.2 CCC1=CC(N)=NC=C1 AK-29170 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.2 CCC1=CC=CC(Br)=N1 AK-65167 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.2 CNC1=CC(Br)=NC=C1 AK161537 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.2 CNC1=NC(Cl)=CC=C1 AK-48574 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.2 CNC1=NC(Cl)=NC=C1 AK115794 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.2 COC1=CC(Br)=NC=C1 AK-36780 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.2 COC1=CC(C)=NC=C1 AK-67862 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.2 COC1=CC(Cl)=NC=C1 AK-25114 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.2 COC1=NC(Cl)=NC=C1 AK-25127 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.2 CSC1=CC=CC(Br)=N1 AK159822 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.2 CSC1=NC(Cl)=NC=C1 AK-29307 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.2 ClC1=NC(C=O)=CN=C1 AK-64725 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.2 FC1=NC(=CC=C1)C=O AK-25580 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.2 IC1=NC=CC(=N1)OC AK-22058 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.2 N#CC1=NC(Cl)=NC=C1 AK-39582 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.2 N(N)C1=NC(=CC=C1)C AK-35513 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.2 NC1=NC(CC)=CC=C1 AK-28992 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.2 NC1=NC=CC(=C1)OC AK-25255 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.2 NC1=NC=CC(=N1)C#N AK-27268 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.2 NCC1=CC(C)=NC=C1 AK130210 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.2 O=CC1=CC=CC(Br)=C1 AK-77027 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 O=CC1=CC=CC(Cl)=C1 AK-68812 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.2 O=CC1=CC=CC(F)=C1 AK112743 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.2 O=CC1=CC=CC(I)=C1 AK-50045 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.2 O=CC1=CC=CC(N)=C1 AK121859 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.2 O=CC1=CC=CC(O)=C1 AK-77369 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.2 O=CC1=CC=NC(C)=C1 AK-30085 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.2 O=CC1=CC=NC(Cl)=C1 AK165004 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.2 O=CC1=CC=NC(F)=C1 AK-29829 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.2 O=CC1=CC=NC(O)=C1 AK-24042 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.2 O=CC1=NC(C)=CC=C1 AK-45099 [1,0,0,0,0,0|1,0,0]=2 125 B9R1.2 O=CC1=NC(Cl)=CC=C1 AK-29361 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.2 OCC1=CC(C)=NC=C1 AK-32751 [1,0,0,0,0,0|1,0,2]=4 127 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [1,0,0,0,0,0|1,0,2]=4 128 B9R1.2 OCC1=NC(N)=NC=C1 AK116314 [1,0,0,0,0,0|1,0,2]=4 129 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,0,0,0,0,0|1,0,0]=2 130 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [1,0,0,0,0,0|1,0,0]=2 135 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [1,0,0,0,0,0|0,0,0]=1 141 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,0,0,0,0,0|1,0,2]=4 142 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [1,0,0,0,0,0|1,0,2]=4 145 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,0,0,0,0,0|1,0,2]=4 146 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [1,0,0,0,0,0|1,0,2]=4 147 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [1,0,0,0,0,0|2,1,0]=4 148 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.6 OB(C1=NC=NC=C1)O AK187804 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [1,0,0,0,0,0|2,0,0]=3 163 B11R1.21 BrC1=C(C=C(C=C1)C(C)=O)F AK-34604 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.21 C1=C(C(=CC=C1C(=O)C)F)C AK-48194 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.21 C1=C(C(=CC=C1C(=O)O)N)C AK-34339 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.21 C1=C(C(=CC=C1C(C)=O)F)Br AK-50601 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.21 C1=C(C(=CC=C1C(O)=O)O)C AK-46719 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.21 C1=C(C=CC(=C1C)Cl)C(O)=O AK-47580 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.21 C1=C(C=CC(=C1F)O)C(C)=O AK-42173 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.21 C1=CC(=CC(=C1F)Cl)C(=O)C AK-49084 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.21 CC(C1=CC(C)=C(Cl)N=C1)=O AK139010 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.21 CC(C1=CC=C(Br)C(C)=C1)=O AK-65018 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O AK114290 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.21 CC(C1=CC=C(F)C(F)=C1)=O AK-53703 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.21 CC(C1=CC=C(I)C(Br)=C1)=O AK482929 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.21 CC(C1=CC=C(N)C(F)=C1)=O AK-94340 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.21 CC(C1=CC=C(O)C(Br)=C1)=O AK201265 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.21 CC(C1=CC=C(O)C(C)=C1)=O AK-41189 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O AK-42350 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.21 CC1=C(C)N=C(C=C1)C(O)=O AK-89986 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.21 CC1=C(F)C=CC(=N1)C(O)=O AK-38458 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.21 O=C(C1=NC(Cl)=C(C)C=C1)O AK-76573 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.21 O=C(O)C1=CC=C(Br)C(C)=C1 AK-26325 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.21 O=C(O)C1=CC=C(F)C(C)=C1 AK-35056 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.21 O=C(O)C1=NC(Br)=C(C)C=C1 AK138206 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 AK-53664 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 AK-53910 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.21 O=C(O)C1=NC(C)=C(Br)C=C1 AK-61563 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 AK-53898 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 AK-53913 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 AK-92903 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.21 O=[N+](C1=CC=C(Br)C(C)=N1)[O-] AK204419 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.23 C1=C(Cl)N=CC=C1C(OC)=O AK-28605 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.23 C1=C(N=CC=C1C(OC)=O)N AK-25223 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AK-29954 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 AK-76962 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.23 COC(=O)C1=NC(Br)=CC=N1 AK110267 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.23 ClC1=CC(=CN=N1)C(=O)OC AK-32830 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.23 ClC1=CN=CC(=N1)C(=O)OC AK-29037 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.23 ClC1=NC=CC(=N1)C(=O)OC AK-33388 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.23 NC1=CN=CC(=N1)C(=O)OC AK-28731 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.23 O=C(C1=NC(Br)=CN=C1)OC AK-39151 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.23 O=C(C1=NC(N)=NC=C1)OC AK-76214 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.23 O=C(C1=NC=NC(Br)=C1)OC AK152485 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.23 O=C(C1=NC=NC(Cl)=C1)OC AK-64323 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.23 O=C(C=1C=CNC(N1)=O)OC AK-76285 [0,1,0,0,0,0|1,0,1]=3 228 B11R1.23 O=C(C=1NC=NC(C1)=O)OC AK-68874 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.23 O=C(NN)C1=NC(O)=CC=C1 AK467135 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.23 O=C(OC)C1=CC=NC(F)=C1 AK-86837 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.74 BrC1=CC(=CC(=C1)C(=O)O)C AK-35753 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.74 BrC1=NC(=CC(=C1)C(=O)O)Br AK-25563 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.74 C1=C(C=C(C=C1C(O)=O)C)C AK-45888 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.74 C1=C(C=C(C=C1C(O)=O)F)C AK-35437 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 AK-88050 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AK-43858 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.74 CC(C1=CC(Br)=CC(Br)=C1)=O AK-87691 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.74 CC(C1=CC(C)=CC(Br)=C1)=O AK143673 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.74 CC(C1=CC(Cl)=CC(Cl)=C1)=O AK-86403 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O AK-44507 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O AK-45934 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.74 CC1=CC(=CC(C)=N1)C(O)=O AK-29366 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.74 CC1=CC(=CC(N)=C1)C(O)=O AK-34242 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.74 CC1=NC(Cl)=CC(N(C)C)=N1 AK-21860 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.74 CN(C)C1=NC(Cl)=NC(Cl)=C1 AK131627 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C AK-23860 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.74 ClC1=CC(=NC(=C1)C(=O)O)Cl AK-32490 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.74 NC1=NC(C(C)C)=CC(Cl)=N1 AK-84463 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.74 NC1=NC(Cl)=CC(N(C)C)=N1 AK111697 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.74 O=C(C1=NC(Cl)=NC(Cl)=C1)N AK-75611 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.74 O=C(Cl)C1=CC(Cl)=NC(Cl)=C1 AK113177 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.74 O=C(Cl)C1=NC(Cl)=NC(Cl)=C1 AK-34454 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.74 O=C(O)C1=CC(C)=CC(Cl)=C1 AK-75961 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.74 O=C(O)C1=CC(C)=CC(O)=C1 AK-47209 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.74 O=C(O)C1=CC(C)=NC(Cl)=C1 AK-25667 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.74 O=C(O)C1=CC(C)=NC(O)=C1 AK-48984 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 AK-29357 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 AK115966 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.74 O=C(O)C1=NC(C)=CC(C)=C1 AK-33798 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.74 O=C(O)C1=NC(C)=CC(Cl)=C1 AK174217 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.74 O=[N+](C1=CC(Br)=NC(C)=C1)[O-] AK142570 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.155 ClC1=NC=CC(C(C)(C)C)=N1 AK198818 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.155 O=S(C1=NC(Cl)=NC=C1)(C)=O AK-37306 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.159 BrC1=C(C(=O)O)C=CC=C1C AK-28470 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.159 BrC1=CC=CC(=C1F)C(C)=O AK-33547 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.159 C1=C(C(=C(C=C1)C)N)C(O)=O AK-35167 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)C AK-26167 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O AK-33819 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.159 CC(C1=CC=CC(C)=C1F)=O AK327202 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.159 CC(C1=CC=CC(Cl)=C1Cl)=O AK-75733 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O AK-34682 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.159 CC(C1=CC=CC(F)=C1Br)=O AK145989 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.159 CC(C1=CC=CC(F)=C1Cl)=O AK-94336 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.159 CC(C1=CC=CC(N)=C1O)=O AK-26283 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.159 CC(C1=CC=CC(O)=C1N)=O AK-80116 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.159 CC(C1=CC=CC(O)=C1O)=O AK-33157 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.159 CC1=CC=CC(C(O)=O)=C1I AK-61437 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O AK-35914 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.159 FC1=NC=CC(=C1F)C(=O)O AK-36566 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.159 NC1=C(C=CN=C1Cl)C(O)=O AK-55039 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.159 O=C(N)C1=CC=CC(C)=C1N AK113423 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.159 O=C(O)C1=CC=CC(C)=C1F AK-34640 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.159 O=C(O)C1=CC=NC(Br)=C1Br AK-86977 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1C AK-81020 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Cl AK-28927 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.167 BrC1=NC=C(C(=C1)C(=O)O)Br AK-62144 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.167 C1=C(Br)C=CC(=C1C(=O)C)O AK-47862 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.167 C1=C(C(=CC=C1C)Br)C(O)=O AK-30136 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.167 C1=C(C(=CC=C1C)F)C(O)=O AK-34671 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)C AK-48911 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)N AK-34555 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.167 C1=C(Cl)C=CC(=C1C(C)=O)Cl AK-73074 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.167 C1=CC(=NC(=C1Cl)C(O)=O)Cl AK-25485 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 AK-68014 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 AK-28102 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 AK109676 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 AK-30761 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 AK-30762 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.167 CC(C1=C(C=CC(=C1)F)Cl)=O AK-48949 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.167 CC(C1=CC(Br)=CC=C1C)=O AK147547 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.167 CC(C1=CC(Br)=CC=C1Cl)=O AK109534 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.167 CC(C1=CC(Br)=CC=C1F)=O AK-28059 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.167 CC(C1=CC(Br)=CC=C1N)=O AK-28616 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.167 CC(C1=CC(Cl)=CC=C1Br)=O AK-51654 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.167 CC(C1=CC(Cl)=CC=C1F)=O AK-76691 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.167 CC(C1=CC(F)=CC=C1Br)=O AK-45663 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.167 CC(C1=CC(F)=CC=C1I)=O AK136027 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.167 CC(C1=CC(F)=CC=C1O)=O AK-45396 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.167 CC(C1=CC(N)=CC=C1O)=O AK116395 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.167 CC(C1=CC(O)=CC=C1O)=O AK-51301 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.167 CC(C1=NC(Br)=CC=C1F)=O AK372267 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.167 CC(C1=NC(Cl)=NC=C1C)=O AK-92912 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.167 CC1=C(N=C(Cl)N=C1)C(O)=O AK-31572 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.167 CC1=CC=C(C)C(=N1)C(O)=O AK-76881 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.167 CC1=CC=C(O)C(=N1)[N+]([O-])=O AK-33411 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.167 CC1=NC(C(O)=O)=C(C)N=C1 AK-80652 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.167 CC1=NC(C(O)=O)=C(Cl)C=N1 AK100033 [0,1,0,0,0,0|1,0,0]=2 325 B11R1.167 CC1=NC=C(C(=N1)C(=O)O)Br AK-23643 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.167 CC1=NC=C(N)C(=C1)C(O)=O AK-55124 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.167 NC1=CC=C(Cl)N=C1C(O)=O AK-39553 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl AK-26155 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.167 NC1=NC=C(C(=C1)C(=O)O)Br AK-76920 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.167 O=C(C1=NC(Cl)=CC=C1Br)O AK-39554 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.167 O=C(C1=NC(N)=NC=C1Cl)O AK138229 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.167 O=C(N)C1=CC(C)=CC=C1N AK-41693 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.167 O=C(O)C1=C(Br)C=NC(Cl)=C1 AK-30394 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.167 O=C(O)C1=C(Br)C=NC(O)=C1 AK-29593 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.167 O=C(O)C1=C(Cl)C=NC(C)=C1 AK123459 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.167 O=C(O)C1=C(Cl)C=NC(Cl)=C1 AK-26410 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.167 O=C(O)C1=C(F)C=NC(C)=C1 AK148000 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.167 O=C(O)C1=C(F)C=NC(Cl)=C1 AK-26942 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.167 O=C(O)C1=C(N)C=NC(Br)=C1 AK-42019 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.167 O=C(O)C1=C(N)C=NC(F)=C1 AK-28881 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.167 O=C(O)C1=C(O)C=NC(Cl)=C1 AK-51287 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.167 O=C(O)C1=CC(C)=CC=C1Cl AK-35943 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.167 O=C(O)C1=CC(C)=CC=C1I AK-35485 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br AK-92200 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.167 O=C(O)C1=NC(C)=CC=C1O AK123475 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1C AK-47252 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1F AK113170 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1N AK157328 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.167 O=C(O)C1=NC(F)=CC=C1Br AK-89900 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.167 O=C(O)C1=NC(O)=CC=C1C AK-68364 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.167 O=C(O)C1=NC(O)=CC=C1Cl AK101774 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.167 OC(=O)C1=CC(Br)=NC=C1F AK-53677 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.167 OC1=CC=C(C)C=C1C(O)=O AK-48577 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O AK-29893 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.266 C1=C(C(=O)O)C=CC=C1CCl AK-34651 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.266 C1=CC(=NC(=N1)SC)C(=O)O AK-23650 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.266 CC(C1=CC=CC(CCl)=C1)=O AK-86175 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.266 CCC1=CC=CC(=N1)C(O)=O AK-65227 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.266 CN(C)C1=NC(CCl)=CC=C1 AK123551 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.266 COC1=CC=CC(=N1)C(C)=O AK-27739 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.266 COC1=NC(=CN=C1)C(O)=O AK-66990 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.266 COC1=NC=NC(=C1)C(O)=O AK-86070 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.266 C[C@@H](N)C1=CC(OC)=NC=C1 AK188001 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.266 C[C@H](N)C1=CC(OC)=NC=C1 AK174211 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.266 NC(C1=CC(CC)=NC=C1)=S AK163496 [0,1,0,0,0,0|2,1,0]=4 366 B11R1.266 NCC1=CC=CC(=C1)C(=O)O AK-36663 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.266 O=C(C1=NC(CO)=CC=C1)O AK-40085 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.266 O=C(C1=NC(NC)=CN=C1)O AK-35586 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.266 O=C(C1=NC=CC(OC)=N1)O AK-37494 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.266 O=C(N)C1=CC=CC(CBr)=C1 AK100650 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.266 O=C(N)C1=NC(C#N)=CC=C1 AK150478 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AK-35991 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.266 O=C(O)C1=CC=CC(NC)=C1 AK164024 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.266 O=C(O)C1=CC=CC(OC)=C1 AK159192 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.266 O=C(O)C1=CC=NC(C=O)=C1 AK-77221 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.266 O=C(O)C1=CC=NC(OC)=C1 AK-26853 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.266 O=C(O)C1=NC(C=O)=CC=C1 AK145136 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.266 O=C(O)C1=NC(CN)=CC=C1 AK152008 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.266 O=C(O)C1=NC(OC)=CC=C1 AK-29968 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.266 OC(=O)C1=NC(=CC=C1)C#N AK-68141 [0,1,0,0,0,0|2,0,1]=4 381 B11R1.266 OCC1=CC=CC(=C1)C(O)=O AK-34506 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [0,0,0,0,1,0|3,0,0]=4 383 B9R1.35 C1=C(C(=O)O)SC(=N1)N AK-24488 [0,0,0,0,1,0|3,0,0]=4 384 B9R1.35 C1=C(N=C(S1)N)C(=O)C AK-54799 [0,0,0,0,1,0|2,0,0]=3 385 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,0,0,0,1,0|3,0,0]=4 386 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,0,0,0,1,0|2,0,0]=3 387 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,0,0,0,1,0|3,0,0]=4 388 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,0,0,0,1,0|1,0,0]=2 389 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,0,0,0,1,0|2,0,0]=3 390 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,0,0,0,1,0|2,0,0]=3 391 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,0,0,0,1,0|1,0,0]=2 392 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,0,0,0,1,0|1,0,0]=2 393 B9R1.35 CC(=O)C1=NOC(C)=C1 AK-47045 [0,0,0,0,1,0|3,0,0]=4 394 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,0,0,0,1,0|3,0,0]=4 395 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,0,0,0,1,0|1,0,1]=3 396 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,0,0,0,1,0|3,0,0]=4 397 B9R1.35 CC1=CSC(C(C)C)=N1 AK114355 [0,0,0,0,1,0|2,0,1]=4 398 B9R1.35 CN1C=C(C=N1)C(C)=O AK-34919 [0,0,0,0,1,0|2,0,0]=3 399 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [0,0,0,0,1,0|3,0,0]=4 400 B9R1.35 CN1C=CC(=N1)C(N)=O AK102817 [0,0,0,0,1,0|2,0,0]=3 401 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [0,0,0,0,1,0|3,0,0]=4 402 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,0,0,0,1,0|3,0,0]=4 403 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,0,0,0,1,0|2,0,0]=3 404 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,0,0,0,1,0|3,0,0]=4 405 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,0,0,0,1,0|3,0,0]=4 406 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,0,0,0,1,0|3,0,0]=4 407 B9R1.35 O=C(C1=CN(C)N=C1)O AK-39751 [0,0,0,0,1,0|3,0,0]=4 408 B9R1.35 O=C(C1=CN=C(Br)S1)N AK-48537 [0,0,0,0,1,0|3,0,0]=4 409 B9R1.35 O=C(C1=CN=C(Br)S1)O AK-26941 [0,0,0,0,1,0|3,0,0]=4 410 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,0,0,0,1,0|2,0,0]=3 411 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,0,0,0,1,0|2,0,1]=4 412 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,0,0,0,1,0|1,0,1]=3 413 B9R1.35 O=C(C1=COC(Br)=N1)O AK-76031 [0,0,0,0,1,0|3,0,0]=4 414 B9R1.35 O=C(C1=COC(I)=N1)O AK-41227 [0,0,0,0,1,0|3,0,0]=4 415 B9R1.35 O=C(C1=CSC(Br)=N1)O AK-23610 [0,0,0,0,1,0|3,0,0]=4 416 B9R1.35 O=C(C1=CSC(Cl)=N1)O AK-48303 [0,0,0,0,1,0|3,0,0]=4 417 B9R1.35 O=C(C1=CSC(N)=N1)N AK109042 [0,0,0,0,1,0|3,0,0]=4 418 B9R1.35 O=C(C1=NC(Br)=CS1)O AK-40795 [0,0,0,0,1,0|3,0,0]=4 419 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,0,0,0,1,0|2,0,0]=3 420 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [0,0,0,0,1,0|2,0,0]=3 421 B9R1.35 O=C(C1=NN=C(C)O1)[O-] AK-40665 [0,0,0,0,1,0|3,0,0]=4 422 B9R1.35 O=C(C1=NN=C(C)S1)[O-] AK170312 [0,0,0,0,1,0|3,0,0]=4 423 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [0,0,0,0,1,0|3,0,0]=4 424 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [0,0,0,0,1,0|2,0,1]=4 425 B9R1.35 O=[N+](C1=CNC(C)=N1)[O-] AK-98967 [0,0,0,0,1,0|2,0,1]=4 426 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,0,0,0,1,0|2,0,1]=4 427 B9R1.35 OC(=O)C1=COC(Cl)=N1 AK-72648 [0,0,0,0,1,0|3,0,0]=4 428 B9R1.41 C1=CC(=C(S1)N)C(=O)N AK-50549 [0,0,0,0,1,0|3,0,0]=4 429 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [0,0,0,0,1,0|2,0,0]=3 430 B9R1.41 C1=NC(=C([NH]1)C(=O)N)O AK-26137 [0,0,0,0,1,0|3,0,0]=4 431 B9R1.41 CC(=O)N1C=COC1=O AK-82187 [0,0,0,0,1,0|3,0,0]=4 432 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [0,0,0,0,1,0|2,0,0]=3 433 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [0,0,0,0,1,0|3,0,0]=4 434 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [0,0,0,0,1,0|1,0,1]=3 435 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [0,0,0,0,1,0|3,0,0]=4 436 B9R1.41 CC1=NOC=C1C(=O)O AK-33667 [0,0,0,0,1,0|2,0,0]=3 437 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [0,0,0,0,1,0|3,0,0]=4 438 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [0,0,0,0,1,0|1,0,0]=2 439 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [0,0,0,0,1,0|3,0,0]=4 440 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [0,0,0,0,1,0|3,0,0]=4 441 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [0,0,0,0,1,0|3,0,0]=4 442 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [0,0,0,0,1,0|3,0,0]=4 443 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [0,0,0,0,1,0|2,0,0]=3 444 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [0,0,0,0,1,0|3,0,0]=4 445 B9R1.41 O=C(C1=C(C)ON=C1)O AK-32464 [0,0,0,0,1,0|3,0,0]=4 446 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [0,0,0,0,1,0|2,0,0]=3 447 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [0,0,0,0,1,0|3,0,0]=4 448 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [0,0,0,0,1,0|2,0,0]=3 449 B9R1.41 O=C(C1=CN=NN1C)O AK-31403 [0,0,0,0,1,0|3,0,0]=4 450 B9R1.41 O=C(C1=CNN=C1C)O AK-39586 [0,0,0,0,1,0|2,0,0]=3 451 B9R1.41 O=C(C1=CNN=C1N)N AK-48317 [0,0,0,0,1,0|3,0,0]=4 452 B9R1.41 O=C(C1=CNN=C1N)O AK-46321 [0,0,0,0,1,0|3,0,0]=4 453 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [0,0,0,0,1,0|3,0,0]=4 454 B9R1.41 O=C(C1=NC=NN1C)O AK179208 [0,0,0,0,1,0|3,0,0]=4 455 B9R1.41 O=[N+](C1=C(C)N=CN1)[O-] AK-49381 [0,0,0,0,1,0|3,0,0]=4 456 B9R1.41 O=[N+](C1=CNN=C1C)[O-] AK-49865 [0,0,0,0,1,0|3,0,0]=4 457 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,0,0,0,0,1|3,0,0]=4 458 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 AK-96691 [0,0,0,0,0,1|1,0,1]=3 459 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [0,0,0,0,0,1|2,0,0]=3 460 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,0,0,0,0,1|3,0,0]=4 461 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,0,0,0,0,1|3,0,0]=4 462 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,0,0,0,0,1|3,0,0]=4 463 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [0,0,0,0,0,1|2,0,0]=3 464 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,0,0,0,0,1|3,0,0]=4 465 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,0,0,0,0,1|3,0,0]=4 466 B11R1.157 ClC1=NC=CC(=C1)NC(C)=O AK-28783 [0,0,0,0,0,1|2,0,0]=3 467 B11R1.157 O=C(O)CC1=CC(N)=NC=C1 AK548242 [0,0,0,0,0,1|3,0,0]=4 468 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [0,0,0,0,0,1|3,0,0]=4 469 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [0,0,0,0,0,1|3,0,0]=4 470 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [0,0,0,0,0,1|2,0,0]=3 471 B8R1.2 BrCC1=NC=NC=C1 AK109329 [2,0,0,0,0,0|1,0,1]=4 472 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [2,0,0,0,0,0|0,0,0]=2 474 B8R1.2 NCC1=NC=NC=C1 AK-23966 [2,0,0,0,0,0|1,0,1]=4 475 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [2,0,0,0,0,0|1,0,0]=3 476 B8R1.2 OCC1=NC=NC=C1 AK-31889 [2,0,0,0,0,0|0,0,2]=4 477 B8R1.4 BrC1=NC(=NC=C1)C AK-31569 [2,0,0,0,0,0|1,0,0]=3 478 B8R1.4 BrC1=NC=CC(=N1)Br AK-23565 [2,0,0,0,0,0|2,0,0]=4 479 B8R1.4 BrC1=NC=CC(=N1)C AK-25002 [2,0,0,0,0,0|1,0,0]=3 480 B8R1.4 C1=C(Br)C=CN=C1C AK-23747 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.4 C1=C(C)C=CN=C1Cl AK-25858 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.4 C1=C(C)N=CN=C1C AK-33461 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.4 C1=C(C=CN=C1Br)C AK-26025 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.4 C1=C(C=CN=C1C)Cl AK-25859 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.4 C1=C(N=C(C=C1)Br)C AK-26079 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.4 C1=C(N=C(N=C1)C)Cl AK-21837 [2,0,0,0,0,0|1,0,0]=3 487 B8R1.4 C1=CC=C(N=C1C)Cl AK-32452 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.4 C1=CC=C(N=C1C)F AK-25943 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.4 C1=CN=C(Cl)N=C1N AK-22071 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.4 C1=CN=C(N=C1Cl)N AK-22070 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [2,0,0,0,0,0|1,0,1]=4 492 B8R1.4 CC1=CC(F)=NC=C1 AK-26002 [2,0,0,0,0,0|2,0,0]=4 493 B8R1.4 CC1=CC=CC(I)=N1 AK-35898 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.4 CC1=CC=CC(N)=N1 AK-28918 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.4 CC1=CN=CC(C)=N1 AK-73109 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.4 CC1=NC(C)=NC=C1 AK128381 [2,0,0,0,0,0|0,0,0]=2 497 B8R1.4 CC1=NC(Cl)=NC=C1 AK-25001 [2,0,0,0,0,0|1,0,0]=3 498 B8R1.4 CC1=NC(I)=NC=C1 AK-31571 [2,0,0,0,0,0|1,0,0]=3 499 B8R1.4 CC1=NC(O)=NC=C1 AK-24705 [2,0,0,0,0,0|1,0,0]=3 500 B8R1.4 CC1=NC=CC(I)=C1 AK-29006 [2,0,0,0,0,0|2,0,0]=4 501 B8R1.4 ClC1=NC(Cl)=NC=C1 AK-22106 [2,0,0,0,0,0|2,0,0]=4 502 B8R1.4 ClC1=NC=CC(Br)=N1 AK-50462 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.4 IC1=NC(N)=NC=C1 AK-28214 [2,0,0,0,0,0|2,0,0]=4 504 B8R1.4 NC1=CC(=NC=C1)C AK-28926 [2,0,0,0,0,0|2,0,0]=4 505 B8R1.4 NC1=NC(C)=NC=C1 AK-30457 [2,0,0,0,0,0|1,0,0]=3 506 B8R1.4 NC1=NC(F)=NC=C1 AK342333 [2,0,0,0,0,0|2,0,0]=4 507 B8R1.4 NC1=NC=CC(Br)=N1 AK-24498 [2,0,0,0,0,0|2,0,0]=4 508 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [2,0,0,0,0,0|1,0,1]=4 509 B8R1.4 O=C1N=C(N)NC=C1 AK-77015 [2,0,0,0,0,0|1,0,1]=4 510 B8R1.4 O=C1NC(=NC=C1)N AK-23592 [2,0,0,0,0,0|1,0,1]=4 511 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [2,0,0,0,0,0|0,0,1]=3 512 B8R1.4 O=C1NC=NC(C)=C1 AK-23779 [2,0,0,0,0,0|2,0,0]=4 513 B8R1.4 OC1=CC=NC(Cl)=N1 AK-54507 [2,0,0,0,0,0|1,0,1]=4 514 B8R1.4 OC1=NC(=NC=C1)C AK-21836 [2,0,0,0,0,0|0,0,1]=3 515 B8R1.4 OC1=NC=CC(C)=C1 AK-33151 [2,0,0,0,0,0|2,0,0]=4 516 B8R1.4 S=C1N=C(C)C=CN1 AK-45762 [2,0,0,0,0,0|1,0,1]=4 517 B10R1.2 CC1=C(C=O)C=CC=C1C AK-48951 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.2 O=CC1=CC=CC(C)=C1Br AK153145 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.2 O=CC1=CC=NC(Cl)=C1C AK-82328 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.2 O=CC1=CC=NC(Cl)=C1Cl AK-62073 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.2 OC1=C(C)C=CC=C1C=O AK-45464 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.8 C1=C(C=C(C)C=C1C)C=O AK-48944 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.8 C1=C(N=C(N=C1OC)N)Cl AK-27645 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.8 CC1=CC(C=O)=CC(O)=C1 AK-76899 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 AK-80762 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.8 CC1=CC(OC)=CC(Cl)=N1 AK313821 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.8 CC1=CC(OC)=NC(Br)=N1 AK431086 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.8 CC1=CC(OC)=NC(C)=N1 AK150919 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.8 CC1=NC(Cl)=CC(NC)=N1 AK395423 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.8 CC1=NC(OC)=CC(Cl)=N1 AK113082 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.8 CCC1=NC(N)=NC(Cl)=C1 AK-89417 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.8 CCC1=NC(N)=NC(N)=C1 AK-89398 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.8 CCC1=NC(N)=NC(O)=C1 AK-89410 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.8 COC1=CC(N)=NC(N)=N1 AK-25145 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.8 COC1=NC(=NC(=N1)C)N AK-47650 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.8 COC1=NC(Cl)=NC(C)=C1 AK-53464 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.8 CSC1=NC(O)=NC(C)=C1 AK104684 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.8 ClC1=NC(=CC(=N1)Cl)OC AK-25969 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.8 NC1=CC(OC)=NC(C)=C1 AK129481 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.8 NC1=NC(Cl)=CC(NC)=N1 AK125825 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.8 O=CC1=CC(C)=CC(Br)=C1 AK-48923 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.8 O=CC1=CC(C)=CC(F)=C1 AK-33874 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.8 O=CC1=CC(C)=NC(C)=C1 AK-28915 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.10 CCNC1=NC(Cl)=NC=C1 AK-53561 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.10 COCC1=NC(Cl)=NC=C1 AK-52710 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.30 C1=C(C=CC(=C1C=O)F)C AK-29613 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.30 CC1=CC=C(F)C(OC)=N1 AK-34807 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.30 CC1=CC=C(N)C(OC)=N1 AK-28935 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.30 CC1=CC=C(O)C(CC)=N1 AK-28571 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.30 CC1=NC=C(Br)C(OC)=C1 AK109720 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.30 CCC1=NC(C)=CC=C1O AK-57887 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.30 COC1=NC(C)=CC=C1Br AK-87081 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.30 COC1=NC(Cl)=NC=C1Br AK-35686 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.30 CSC1=NC(Cl)=NC=C1Br AK-40213 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.30 ClC1=NC=C(C(=C1)C=O)F AK-40087 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.30 NC1=CN=C(C)N=C1OC AK-26078 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.30 NC1=CN=C(Cl)N=C1OC AK-49001 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.30 NC1=NC=C(C(=N1)OC)Br AK-22145 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.30 NC1=NC=C(C(=N1)OC)I AK-26873 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.30 O=CC1=C(Cl)C=NC(Cl)=C1 AK-32689 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.30 O=CC1=C(F)C=NC(Br)=C1 AK-89164 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.30 O=CC1=C(O)C=NC(Cl)=C1 AK139778 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.30 O=CC1=CC(C)=CC=C1Br AK-76557 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.30 O=CC1=CC(C)=CC=C1O AK-30554 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.30 O=CC1=NC(Cl)=CC=C1Br AK138266 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.30 O=CC1=NC(Cl)=CC=C1Cl AK-87695 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.30 O=CC1=NC(Cl)=CC=C1F AK-94746 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.30 OC1=CC=C(C)N=C1CC AK-41005 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.172 C1=NC(=NC(=C1)OC)OC AK-34825 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.172 CCC1=CC=CC(CC)=N1 AK-89097 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.172 CCC1=CC=CC(CO)=N1 AK-33575 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.172 COC1=CC(=NC=C1)CN AK-30303 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.172 COC1=CC(OC)=NC=C1 AK-90158 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.172 COC1=CC=CC(CBr)=N1 AK-77201 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.172 COC1=CC=CC(CCl)=N1 AK100141 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.172 COC1=CC=CC(CO)=N1 AK-75971 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.172 COC1=CC=CC(OC)=N1 AK-39487 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.172 COC1=NC=CC(=N1)C=O AK-31659 [1,1,0,0,0,0|0,0,0]=2 579 B10R1.172 CSC1=NC(SC)=NC=C1 AK340291 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.172 CSC1=NC=CC(=N1)C=O AK-23649 [1,1,0,0,0,0|0,0,0]=2 581 B10R1.172 CSC1=NC=CC(CCl)=N1 AK150460 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.172 CSC1=NC=CC(NN)=N1 AK670604 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.172 N#CC1=NC(SC)=NC=C1 AK-28342 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.172 NCC1=NC(OC)=NC=C1 AK162050 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.172 NCC1=NC(OC)=NC=C1 AK550137 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.172 NCC1=NC=CC(OC)=C1 AK145886 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.172 O=CC1=CC=CC(CBr)=C1 AK-54641 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.172 O=CC1=CC=CC(CC)=C1 AK-94141 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.172 O=CC1=CC=CC(OC)=C1 AK-84426 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.172 O=CC1=CC=NC(OC)=C1 AK-36228 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.172 O=CC1=NC(=CC=C1)C#N AK-99905 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.172 O=CC1=NC(C=O)=CC=C1 AK-26102 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.172 O=CC1=NC(CC)=CC=C1 AK100815 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.172 O=CC1=NC(CF)=CC=C1 AK-47251 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.172 O=CC1=NC(NC)=NC=C1 AK-24425 [1,1,0,0,0,0|0,0,0]=2 596 B10R1.172 O=CC1=NC(OC)=CC=C1 AK-26099 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.172 OCC1=NC(SC)=NC=C1 AK150459 [1,1,0,0,0,0|0,0,2]=4 598 B10R1.172 OCC1=NC=CC(OC)=C1 AK-28854 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.176 BrC1=C(C=C(C=O)C=C1)C AK-54790 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.176 BrC1=CC=C(N=C1C)OC AK-29800 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.176 C1=C(C(=CC=C1C=O)O)C AK-45466 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 AK-44210 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.176 COC1=NC(C)=C(F)C=C1 AK-25872 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.176 NC1=CC=C(N=C1C)OC AK-26061 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.176 NC1=CC=C(OC)N=C1C AK109424 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.176 O=CC1=CC=C(C)C(C)=C1 AK-88497 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.176 O=CC1=CC=C(F)C(C)=C1 AK-28780 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.176 O=CC1=NC(Br)=C(Cl)C=C1 AK152007 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.176 O=CC1=NC(C)=C(Br)C=C1 AK-61562 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.13 CC(C1=NC=C(Br)C=N1)=O AK129384 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.13 CC(C1=NC=C(Cl)N=C1)=O AK-42149 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.13 CC(C1=NC=C(O)N=C1)=O AK134806 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.15 O=C(C1=NC=NC=C1)NN AK-68698 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.61 BrC1=C(C(=O)N)C=CN=C1 AK-29834 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.61 BrC1=C(C=CN=C1)C(=O)O AK-23517 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.61 BrC1=CC=CN=C1C(=O)O AK-25745 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.61 BrC1=CN=CN=C1C(=O)O AK-23815 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.61 C1=CC=NC(=C1C)C(O)=O AK-26613 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.61 C1=CN=CC(=C1C(=O)O)F AK-25903 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 AK-31153 [1,1,0,0,0,0|0,0,0]=2 655 B10R1.61 CC(=O)C1=C(C)N=CC=N1 AK-89662 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.61 ClC1=C(C(=O)O)C=CN=C1 AK-26411 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.61 ClC1=CC=CN=C1C(=O)O AK-23699 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.61 FC1=C(C=CN=C1)C(C)=O AK-37142 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.61 FC1=C(N=CC=C1)C(=O)O AK-28801 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.61 O=C(C1=NC=CC=C1N)O AK-25432 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.61 O=C(C1=NC=NC=C1C)O AK140920 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.61 O=C(N)C1=CC=NC=C1C AK-29933 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.61 O=C(N)C1=CC=NC=C1N AK-77290 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.61 O=C(N)C1=NC=CC=C1C AK-48603 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.61 O=C(N)C1=NC=CC=C1N AK-35369 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.61 O=C(O)C1=CC=NC=C1C AK-30383 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.61 O=C(O)C1=CC=NC=C1N AK-23678 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.61 O=C(O)C1=CC=NC=C1O AK-23523 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.61 O=C(O)C1=NC=CC=C1I AK-29488 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.61 O=C(O)C1=NC=CC=C1O AK-26380 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.14 C1=C(C(OC)=O)N=C(S1)N AK-15127 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.14 C1=C(C(OC)=O)SC(=N1)Br AK-23911 [0,1,0,0,1,0|2,0,0]=4 681 B10R1.14 C1=C(C(OC)=O)SC(=N1)N AK-23910 [0,1,0,0,1,0|2,0,0]=4 682 B10R1.14 C1=C(N=C(S1)Br)C(=O)OC AK-21789 [0,1,0,0,1,0|2,0,0]=4 683 B10R1.14 COC(=O)C1=CC(C)=NO1 AK-99990 [0,1,0,0,1,0|2,0,0]=4 684 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.14 COC(=O)C1=NN=C(C)O1 AK-65307 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.14 COC(=O)C1=N[N](C=N1)C AK-42049 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.14 ClC1=NC=C(S1)C(=O)OC AK-65059 [0,1,0,0,1,0|2,0,0]=4 688 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,1,0,0,1,0|2,0,0]=4 690 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,1,0,0,1,0|2,0,0]=4 691 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,1,0,0,1,0|1,0,0]=3 692 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,1,0,0,1,0|2,0,0]=4 693 B10R1.14 O=C(C1=CN(C)N=C1)OC AK-75955 [0,1,0,0,1,0|2,0,0]=4 694 B10R1.14 O=C(C1=CN=C(Br)O1)OC AK-75897 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,1,0,0,1,0|1,0,0]=3 696 B10R1.14 O=C(C1=CN=C(Cl)O1)OC AK-77391 [0,1,0,0,1,0|2,0,0]=4 697 B10R1.14 O=C(C1=CN=C(N)S1)NC AK164189 [0,1,0,0,1,0|2,0,0]=4 698 B10R1.14 O=C(C1=COC(Br)=N1)OC AK-41107 [0,1,0,0,1,0|2,0,0]=4 699 B10R1.14 O=C(C1=COC(Cl)=N1)OC AK-36915 [0,1,0,0,1,0|2,0,0]=4 700 B10R1.14 O=C(C1=NC(Br)=CS1)OC AK146642 [0,1,0,0,1,0|2,0,0]=4 701 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,1,0,0,1,0|1,0,0]=3 702 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,1,0,0,1,0|2,0,0]=4 703 B10R1.31 C1=C(OC(=C1)CO)C(=O)O AK-26213 [0,1,0,0,1,0|2,0,0]=4 704 B10R1.31 CSC1=CC=C(S1)C(O)=O AK-34056 [0,1,0,0,1,0|2,0,0]=4 705 B10R1.31 O=C(C1=CSC(CC)=N1)O AK-41200 [0,1,0,0,1,0|2,0,0]=4 706 B10R1.31 O=C(C1=CSC(CC)=N1)O AK107643 [0,1,0,0,1,0|2,0,0]=4 707 B10R1.31 O=C(C1=NC(CC)=CS1)O AK158458 [0,1,0,0,1,0|2,0,0]=4 708 B10R1.31 O=CC1=CC=C(C(C)=O)S1 AK110433 [0,1,0,0,1,0|1,0,1]=4 709 B10R1.58 CN1N=C(C=C1C)C(O)=O AK-95883 [0,1,0,0,1,0|2,0,0]=4 710 B10R1.58 O=C(C1=NN(C)C(C)=C1)N AK185700 [0,1,0,0,1,0|2,0,0]=4 711 B10R1.58 O=C(C1=NN(C)C(O)=C1)O AK-81704 [0,1,0,0,1,0|2,0,0]=4 712 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 AK-80296 [0,1,0,0,1,0|1,0,0]=3 713 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 AK104686 [0,1,0,0,1,0|2,0,0]=4 714 B10R1.59 CC(C1=C(C)C=C(C)O1)=O AK126891 [0,1,0,0,1,0|1,0,0]=3 715 B10R1.59 CC(C1=CC(C)=NN1C)=O AK-39987 [0,1,0,0,1,0|2,0,0]=4 716 B10R1.59 CN1C=C(Br)C(=N1)C(O)=O AK-57069 [0,1,0,0,1,0|2,0,0]=4 717 B10R1.59 O=C(C1=C(Br)OC(C)=N1)O AK-24421 [0,1,0,0,1,0|2,0,0]=4 718 B10R1.59 O=C(C1=C(C)N=C(C)S1)O AK-35512 [0,1,0,0,1,0|2,0,0]=4 719 B10R1.59 O=C(C1=NN(C)C=C1C)O AK-43757 [0,1,0,0,1,0|2,0,0]=4 720 B10R1.39 CCN1C=CC=C1C(C)=O AK-87978 [0,1,0,0,1,0|2,0,0]=4 721 B10R1.39 O=C(C1=CC=NN1CC)O AK-83430 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.149 C1=CSC(=C1C(OC)=O)N AK-26003 [0,1,0,0,1,0|2,0,0]=4 723 B10R1.149 CC1=C(C=CS1)C(=O)OC AK-40494 [0,1,0,0,1,0|1,0,0]=3 724 B10R1.149 CC1=C(SC=N1)C(=O)OC AK-27820 [0,1,0,0,1,0|1,0,0]=3 725 B10R1.149 CC1=N[NH]C=C1C(=O)OC AK-31098 [0,1,0,0,1,0|1,0,0]=3 726 B10R1.149 COC(=O)C1=C(Br)SC=C1 AK-68215 [0,1,0,0,1,0|2,0,0]=4 727 B10R1.149 COC(=O)C1=C(C)C=CO1 AK-89345 [0,1,0,0,1,0|2,0,0]=4 728 B10R1.149 O=C(C1=C(C)C=CS1)OC AK-29549 [0,1,0,0,1,0|2,0,0]=4 729 B10R1.149 O=C(C1=C(Cl)N=CS1)OC AK501937 [0,1,0,0,1,0|2,0,0]=4 730 B10R1.149 O=C(C1=C(N)N=CS1)OC AK-24209 [0,1,0,0,1,0|2,0,0]=4 731 B10R1.149 O=C(C1=CC=NN1C)OC AK119024 [0,1,0,0,1,0|1,0,0]=3 732 B10R1.149 O=C(C1=CNC=C1C)OC AK126219 [0,1,0,0,1,0|2,0,0]=4 733 B10R1.149 O=C(C1=CNN=C1N)OC AK-40062 [0,1,0,0,1,0|2,0,0]=4 734 B10R1.192 O=C(C1=C(Br)C=NN1C)O AK124611 [0,1,0,0,1,0|2,0,0]=4 735 B10R1.192 O=C(C1=C(C)NN=C1C)O AK-83527 [0,1,0,0,1,0|2,0,0]=4 736 B10R1.192 O=C(C1=C(C)ON=C1C)O AK-40048 [0,1,0,0,1,0|2,0,0]=4 737 B10R1.192 O=C(C1=C(I)C=NN1C)O AK112051 [0,1,0,0,1,0|2,0,0]=4 738 B12R1.19 CC(NC1=CC=C(O)C(C)=C1)=O AK147875 [0,1,0,0,0,1|2,0,0]=4 739 B12R1.50 O=C(OC)CC1=NC(Cl)=CC=C1 AK-63367 [0,1,0,0,0,1|2,0,0]=4 740 B12R1.438 CC(OC1=CC=CC(CBr)=C1)=O AK149577 [0,1,0,0,0,1|2,0,0]=4 741 B12R1.438 O=C(O)CC1=CC(OC)=NC=C1 AK103183 [0,1,0,0,0,1|2,0,0]=4 742 B12R1.23 NC1=CC=C(S(=O)(C)=O)N=C1C AK-61203 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.48 CC(C1=CC=C(OC)C(C)=C1)=O AK-68223 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.56 CC(C1=CC=C(Br)C(OC)=C1)=O AK144652 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.56 O=C(O)C1=NC(OC)=C(Br)C=C1 AK100452 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.56 O=C(O)C1=NC(OC)=C(Cl)C=C1 AK-76603 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.367 C1=C(C=CC(=C1C)Br)C(OC)=O AK-32180 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.367 CCC(C1=CC=C(C)C(C)=C1)=O AK-63917 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 AK-26110 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=N1 AK-89438 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.367 FC1=C(C=C(C(=O)OC)C=C1)C AK-46648 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.367 O=C(OC)C1=CC=C(Cl)C(C)=C1 AK117510 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.367 O=C(OC)C1=CC=C(N)C(C)=C1 AK-41505 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.367 O=C(OC)C1=CC=C(O)C(C)=C1 AK-78928 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.367 O=C(OC)C1=NC(Br)=C(N)C=C1 AK339630 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.367 O=C(OC)C1=NC(C)=C(F)C=C1 AK-82789 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.367 O=C(OC)C1=NC(Cl)=C(Br)C=C1 AK100450 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.367 O=C(OC)C1=NC(Cl)=C(C)C=C1 AK-88627 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.367 O=C(OC)C1=NC(N)=C(Br)C=C1 AK-51186 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.367 O=C(OC)C1=NC(O)=C(O)C=C1 AK-26588 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.13 C1=CN=C(N=C1C(OC)OC)C AK-28026 [0,2,0,0,0,0|0,0,2]=4 762 B12R1.17 BrC1=CC=CC(=N1)C(=O)OCC AK-25598 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 AK-29726 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.17 ClC1=NC=CC(=C1)C(=O)OCC AK-29371 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.17 O=C(C1=NC(Cl)=NC=C1)OCC AK-76171 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.17 O=C(OCC)C1=CC=NC(N)=C1 AK-33137 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.17 O=C(OCC)C1=NC(Cl)=CC=C1 AK-76189 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.17 O=C(OCC)C1=NC(N)=CC=C1 AK-41615 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.24 BrC1=C(C(=O)OC)C=CC=C1C AK-26780 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.24 C1=C(C(=C(C=C1)C)N)C(OC)=O AK-32253 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.24 COC(C1=C(C(=NC=C1)Cl)F)=O AK-35915 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.24 O=C(OC)C1=CC=CC(C)=C1C AK136365 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.24 O=C(OC)C1=CC=CC(C)=C1F AK-86744 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1C AK-82326 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1Cl AK114429 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1N AK-28890 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.24 O=C(OC)C1=CC=NC(F)=C1F AK-53681 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=C1 AK-64919 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.354 COC(=O)C1=C(N)C=CC(C)=C1 AK-40247 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.354 NC1=NC=C(C(=N1)C(=O)OC)Br AK-30886 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.354 O=C(C1=CC(Br)=NC=C1F)OC AK186022 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.354 O=C(C1=CC(N)=NC=C1Br)OC AK-30491 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.354 O=C(C1=NC(O)=NC=C1Br)OC AK-76224 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.354 O=C(OC)C1=C(Br)C=NC(O)=C1 AK-29594 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.354 O=C(OC)C1=C(Cl)C=NC(Cl)=C1 AK126033 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.354 O=C(OC)C1=NC(C)=CC=C1O AK123477 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.354 O=C(OC)C1=NC(Cl)=CC=C1C AK-32402 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.354 O=C(OC)C1=NC(Cl)=CC=C1N AK-47130 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.358 C1=C(N=C(C=C1C(OC)=O)Cl)Cl AK-39362 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.358 CC1=CC(C(OC)=O)=CC(Cl)=N1 AK-25921 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.358 ClC1=CC(=NC(=C1)C(=O)OC)Cl AK-49057 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.358 O=C(C1=NC(C)=CC(C)=N1)OC AK545433 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.358 O=C(C1=NC(Cl)=NC(Cl)=C1)OC AK-27760 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.358 O=C(OC)C1=CC(C)=CC(Br)=C1 AK-67625 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.358 O=C(OC)C1=CC(C)=CC(C)=C1 AK117477 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.358 O=C(OC)C1=CC(C)=CC(N)=C1 AK-46863 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.358 O=C(OC)C1=CC(C)=NC(Br)=C1 AK-72498 [0,2,0,0,0,0|1,0,0]=3 798 B12R1.358 O=C(OC)C1=NC(Cl)=CC(C)=C1 AK-76346 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.358 O=C(OC)C1=NC(N)=CC(Br)=C1 AK-26394 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.435 C(#N)C1=NC=CC(=C1)C(=O)OC AK-31773 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.435 C1=C(C=CC=C1CBr)C(=O)OC AK-45772 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.435 C1=C(C=CC=C1OC)C(CBr)=O AK-72958 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.435 COC(=O)C1=CC=NC(CO)=C1 AK-76202 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.435 COC(=O)C1=NC(=CC=C1)C#C AK-39902 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 AK-39343 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.435 COC1=CC=CC(=C1)C(CC)=O AK-47465 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC AK-28325 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.435 O=C(C1=NC(OC)=CN=C1)OC AK-68422 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.435 O=C(OC)C1=CC=NC(C#C)=C1 AK151768 [0,2,0,0,0,0|1,0,1]=4 810 B12R1.435 O=C(OC)C1=CC=NC(C=O)=C1 AK100394 [0,2,0,0,0,0|1,0,1]=4 811 B12R1.435 O=C(OC)C1=CC=NC(CBr)=C1 AK163967 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.435 O=C(OC)C1=CC=NC(OC)=C1 AK-28606 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.435 O=C(OC)C1=NC(C#N)=CC=C1 AK-39973 [0,2,0,0,0,0|1,0,1]=4 814 B12R1.435 O=C(OC)C1=NC(CBr)=CC=C1 AK-29873 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.435 O=C(OC)C1=NC(CC)=CC=C1 AK100751 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.435 O=C(OC)C1=NC(CF)=CC=C1 AK-26515 [0,2,0,0,0,0|1,0,0]=3 817 B12R1.435 O=C(OC)C1=NC(CN)=CC=C1 AK154847 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.435 O=C(OC)C1=NC(CO)=CC=C1 AK-61314 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.435 O=C(OC)C1=NC(OC)=CC=C1 AK-76230 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.11 COC1=CC(=CC(Br)=N1)C(O)=O AK-55005 [0,2,0,0,0,0|2,0,0]=4 821 B12R1.11 COC1=CC(=CC(Cl)=N1)C(O)=O AK-28837 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.440 COC1=CC=CC(C(C)=O)=C1N AK-41477 [0,2,0,0,0,0|2,0,0]=4 823 B12R1.440 O=C(O)C1=CC=NC(OC)=C1C AK123562 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.440 O=C(O)C1=CC=NC(OC)=C1Cl AK-77646 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.440 O=C(O)C1=CC=NC(OC)=C1N AK-39940 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.453 ClC1=CN=C(C=C1C(=O)O)OC AK-31890 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.453 ClC1=CN=C(N=C1C(=O)O)SC AK-27138 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.453 NC1=CN=C(N=C1C(=O)O)SC AK-28112 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.453 O=C(C1=NC(CC)=NC=C1Br)O AK127436 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.453 O=C(C1=NC(SC)=NC=C1Br)O AK-23806 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.453 O=C(O)C1=C(N)C=NC(OC)=C1 AK-28924 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.258 CC(C)C1=CC=CC(=C1)C(C)=O AK110654 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.258 CC(C1=CC=CC([C@@H](N)C)=C1)=O AK608009 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.258 CN(C)C1=NC(=CC=N1)C(O)=O AK-24024 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.258 O=C(C1=CC=CC(C(C)=O)=N1)C AK-32871 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.258 O=C(O)C1=CC=NC(C(C)C)=C1 AK442014 [0,2,0,0,0,0|2,0,0]=4 837 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|2,0,0]=4 838 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [0,0,0,1,1,0|2,0,0]=4 839 B12R2.202 O=C1NC2=C(C(C)=CC=C2)C1 AK-57812 [0,0,0,1,0,1|2,0,0]=4 840 B12R2.606 CC1=CC2=CN=C(Cl)N=C2N1 AK165257 [0,0,0,1,0,1|2,0,0]=4 841 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 AK-27436 [0,0,0,1,0,1|2,0,0]=4 842 B12R2.606 O=C1NC2=C(C=CC(C)=C2)C1 AK-79359 [0,0,0,1,0,1|2,0,0]=4 843 B12R2.132 O=C1CCC2=C1C=C(C)C=C2 AK-34324 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.132 O=C1OCC2=C1C=C(C)C=C2 AK316681 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 AK-75612 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.1 C1=C(C=N[N]1C)C=O AK-27714 [1,0,0,0,1,0|2,0,0]=4 847 B8R1.1 C1=C(C=O)SC(=N1)Br AK-23611 [1,0,0,0,1,0|2,0,0]=4 848 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [1,0,0,0,1,0|1,0,0]=3 849 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [1,0,0,0,1,0|2,0,0]=4 850 B8R1.1 C1=C(SC(=N1)N)C=O AK-21788 [1,0,0,0,1,0|2,0,0]=4 851 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [1,0,0,0,1,0|1,0,0]=3 852 B8R1.1 CC1=CSC(CC)=N1 AK114234 [1,0,0,0,1,0|1,0,1]=4 853 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [1,0,0,0,1,0|1,0,0]=3 854 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,0,0,0,1,0|1,0,1]=4 855 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [1,0,0,0,1,0|1,0,0]=3 856 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [1,0,0,0,1,0|2,0,0]=4 857 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [1,0,0,0,1,0|1,0,0]=3 858 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [1,0,0,0,1,0|2,0,0]=4 859 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [1,0,0,0,1,0|2,0,0]=4 860 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [1,0,0,0,1,0|1,0,0]=3 861 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [1,0,0,0,1,0|1,0,0]=3 862 B8R1.1 O=CC1=CN=C(Cl)S1 AK-45673 [1,0,0,0,1,0|2,0,0]=4 863 B8R1.1 O=CC1=CN=C(N)S1 AK-94752 [1,0,0,0,1,0|2,0,0]=4 864 B8R1.1 O=CC1=CSC(Br)=N1 AK-21791 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [1,0,0,0,1,0|2,0,0]=4 866 B8R1.1 O=CC1=CSC(Cl)=N1 AK-40953 [1,0,0,0,1,0|2,0,0]=4 867 B8R1.1 O=CC1=NC(Br)=CS1 AK-40945 [1,0,0,0,1,0|2,0,0]=4 868 B8R1.11 C=CC1=C(C)N=CS1 AK306978 [1,0,0,0,1,0|1,0,1]=4 869 B8R1.11 CC1=C(C=O)N=CS1 AK-74018 [1,0,0,0,1,0|2,0,0]=4 870 B8R1.11 CC1=C(SC=N1)C=O AK-36462 [1,0,0,0,1,0|1,0,0]=3 871 B8R1.11 CC1=N[NH]C=C1C=O AK-27719 [1,0,0,0,1,0|1,0,0]=3 872 B8R1.11 CSC1=C(C)OC=C1 AK307519 [1,0,0,0,1,0|2,0,0]=4 873 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [1,0,0,0,1,0|1,0,0]=3 874 B8R1.11 ClC1=C(SC=N1)C=O AK-24953 [1,0,0,0,1,0|2,0,0]=4 875 B8R1.11 O=CC1=C(Br)SC=C1 AK129456 [1,0,0,0,1,0|2,0,0]=4 876 B8R1.11 O=CC1=C(C)NC=N1 AK117462 [1,0,0,0,1,0|1,0,1]=4 877 B8R1.11 O=CC1=C(Cl)SC=C1 AK141878 [1,0,0,0,1,0|2,0,0]=4 878 B8R1.11 O=CC1=C(I)SC=C1 AK143585 [1,0,0,0,1,0|2,0,0]=4 879 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,1,0|1,0,1]=4 880 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,1,0|2,0,0]=4 881 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,0,0,0,1,0|1,0,0]=3 882 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [1,0,0,0,1,0|2,0,0]=4 883 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [1,0,0,0,1,0|2,0,0]=4 884 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,1,0|0,0,1]=3 885 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,0,1,0|1,0,0]=3 886 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,1,0|1,0,0]=3 887 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [1,0,0,0,1,0|2,0,0]=4 888 B8R1.7 NC(=O)C1=NC=NN1 AK-32575 [1,0,0,0,1,0|2,0,0]=4 889 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,1,0|2,0,0]=4 890 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [1,0,0,0,1,0|2,0,0]=4 891 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,0,1,0|1,0,1]=4 892 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,0,1,0|2,0,0]=4 893 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,0,1,0|2,0,0]=4 894 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [1,0,0,0,1,0|2,0,0]=4 895 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [1,0,0,0,1,0|2,0,0]=4 896 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [1,0,0,0,1,0|2,0,0]=4 897 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,1,0|0,0,1]=3 898 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,0,1,0|0,0,1]=3 899 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,1,0|2,0,0]=4 900 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,1,0|2,0,0]=4 901 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [1,0,0,0,1,0|2,0,0]=4 902 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [1,0,0,0,1,0|2,0,0]=4 903 B8R1.7 O=C(C1=NC=CN1)N AK139797 [1,0,0,0,1,0|2,0,0]=4 904 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [1,0,0,0,1,0|2,0,0]=4 905 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [1,0,0,0,1,0|1,0,1]=4 906 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [1,0,0,0,1,0|1,0,1]=4 907 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,1,0|1,0,1]=4 908 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [1,0,0,0,1,0|2,0,0]=4 909 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,0,1,0|1,0,0]=3 910 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [1,0,0,0,1,0|2,0,0]=4 911 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [1,0,0,0,1,0|2,0,0]=4 912 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,0,1,0|2,0,0]=4 913 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,0,0,0,0,1|1,0,0]=3 914 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [1,0,0,0,0,1|2,0,0]=4 915 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,0,0,0,0,1|1,0,0]=3 916 B10R1.18 CC(NC1=NC=CC=N1)=O AK137493 [1,0,0,0,0,1|2,0,0]=4 917 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [1,0,0,0,0,1|2,0,0]=4