0 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O AK-29893 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.266 C1=C(C(=O)O)C=CC=C1CCl AK-34651 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.266 C1=C(C=CC=C1C(O)=O)C=O AK-45897 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.266 C1=C(C=CC=C1C=O)B(O)O AK-45037 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.266 C1=C(C=CC=C1CBr)B(O)O AK-32247 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.266 C1=C(C=CC=C1CO)B(O)O AK-39213 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.266 C1=C(C=CC=C1OC)B(O)O AK-45174 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.266 C1=C(C=CC=C1[N+]([O-])=O)C#C AK-29115 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.266 C1=CC(=NC(=N1)SC)C(=O)O AK-23650 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.266 C=CC1=CC(B(O)O)=CC=C1 AK101141 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.266 CC(C1=CC=CC(CCl)=C1)=O AK-86175 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.266 CCC1=CC=CC(=N1)C(O)=O AK-65227 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.266 CCC1=CN=CC(B(O)O)=C1 AK-86063 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.266 COC1=CC(=CN=C1)C(=O)O AK-40655 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.266 COC1=CC=CC(=C1)C(=N)N AK-16801-12 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.266 COC1=CC=CC(=N1)B(O)O AK-25865 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.266 COC1=CC=CC(=N1)C(C)=O AK-27739 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.266 COC1=NC(=CN=C1)C(O)=O AK-66990 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.266 COC1=NC=CC(B(O)O)=C1 AK-26317 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.266 COC1=NC=NC(=C1)C(O)=O AK-86070 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.266 C[C@@H](N)C1=CC(OC)=NC=C1 AK188001 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.266 C[C@@H](N)C1=CC=CC(OC)=C1 AK-36684 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.266 C[C@H](N)C1=CC(OC)=NC=C1 AK174211 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.266 N#CC1=CC=NC(C(C)=O)=C1 AK126179 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.266 NC(C1=CC(CC)=NC=C1)=S AK163496 [0,0,0,0,0,0|3,1,0]=4 25 B11R1.266 NCC1=CC=CC(=C1)C(=O)O AK-36663 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.266 NCC1=CC=CC([N+]([O-])=O)=C1 AK-89556 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.266 O=C(C1=NC(CO)=CC=C1)O AK-40085 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.266 O=C(C1=NC(NC)=CN=C1)O AK-35586 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.266 O=C(C1=NC=CC(OC)=N1)O AK-37494 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.266 O=C(N)C1=CC=CC(C=O)=C1 AK-65110 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.266 O=C(N)C1=CC=CC(CBr)=C1 AK100650 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.266 O=C(N)C1=NC(C#N)=CC=C1 AK150478 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.266 O=C(O)C1=CC=CC(C#N)=C1 AK-68392 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AK-35991 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.266 O=C(O)C1=CC=CC(NC)=C1 AK164024 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.266 O=C(O)C1=CC=CC(OC)=C1 AK159192 [0,0,0,0,0,0|0,0,0]=0 37 B11R1.266 O=C(O)C1=CC=NC(C=O)=C1 AK-77221 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.266 O=C(O)C1=CC=NC(OC)=C1 AK-26853 [0,0,0,0,0,0|1,0,0]=1 39 B11R1.266 O=C(O)C1=NC(C=O)=CC=C1 AK145136 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.266 O=C(O)C1=NC(CN)=CC=C1 AK152008 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.266 O=C(O)C1=NC(OC)=CC=C1 AK-29968 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.266 O=C(O)C1=NC=CC(OC)=C1 AK-29096 [0,0,0,0,0,0|1,0,0]=1 43 B11R1.266 O=CC1=CC=CC([N+]([O-])=O)=C1 AK-76706 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.266 OB(C1=CC=CC(CC)=C1)O AK-38410 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.266 OB(O)C1=CC(=CC=C1)C#N AK-44970 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.266 OC(=O)C1=NC(=CC=C1)C#N AK-68141 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.266 OCC1=CC=CC(=C1)C(O)=O AK-34506 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.113 C1=C(C=C(C=N1)B(O)O)C AK-27227 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.113 C1=C(C=CC=C1Br)B(O)O AK-23693 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.113 C1=C(C=NC=C1Br)C(N)=O AK-34529 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.113 C1=C(C=NC=C1C(O)=O)F AK-25931 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.113 C1=C(C=NC=C1Cl)C(O)=O AK-25160 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.113 C1=NC=C(C=C1C(=O)N)N AK-26169 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.113 CC(C1=NC=NC(C)=C1)=O AK-78932 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.113 CC1=CC(=NC=C1)[N+]([O-])=O AK-33823 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.113 CC1=CC(B(O)O)=CC=C1 AK-41078 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.113 CC1=CC=CC(=C1)C(N)=N AK-45199 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.113 CC1=CC=CC(B(O)O)=N1 AK-25864 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.113 CC1=NC=CC(B(O)O)=C1 AK-35728 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.113 ClC1=CC=CC(=C1)B(O)O AK-47360 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.113 ClC1=NC=CC(=N1)C(=O)O AK-28365 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.113 FC1=CC(B(O)O)=CC=C1 AK-45904 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.113 IC1=CC=CC(=C1)B(O)O AK-45910 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 AK-16801-7 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.113 N=C(N)C1=NC=CC(C)=C1 AK130218 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.113 NC1=CC=NC(=C1)C(=O)O AK-72771 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.113 NC1=CN=CC(=C1)C(O)=O AK-34306 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.113 O=C(C1=CC(=O)N=CN1)O AK-24985 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [1,0,0,0,0,0|1,0,1]=3 103 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.113 O=C(C1=NC(Br)=NC=C1)O AK145986 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.113 O=C(C1=NC(N)=NC=C1)O AK-65335 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.113 O=C(C1=NC=CC(Br)=C1)O AK-23753 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.113 O=C(C1=NC=NC(C)=C1)O AK114394 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.113 O=C(C1=NN=CC(Cl)=C1)O AK398901 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [1,0,0,0,0,0|1,0,1]=3 110 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [1,0,0,0,0,0|1,1,0]=3 111 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.113 O=C(N)C1=NC=CC(N)=C1 AK103735 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [1,0,0,0,0,0|1,0,0]=2 114 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [1,0,0,0,0,0|0,0,0]=1 115 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [1,0,0,0,0,0|1,0,0]=2 117 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [1,0,0,0,0,0|0,0,0]=1 118 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 AK-25583 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AK-28811 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.113 O=C(O)C1=CN=CC(O)=C1 AK-25698 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AK-23768 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AK-30405 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.113 O=C1NC(=CC=N1)C(=O)O AK-30175 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.113 O=C1NN=CC(=C1)C(=O)O AK-26372 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.113 O=[N+](C1=CC(C)=NC=C1)[O-] AK-23785 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-27034 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-43360 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-44816 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.113 OB(C1=CC=CC(O)=C1)O AK-44803 [1,0,0,0,0,0|1,0,1]=3 133 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.113 OC(=O)C1=NC=NC(Cl)=C1 AK-29233 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.113 OC1=CC([N+]([O-])=O)=CN=C1 AK-28936 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.113 OC1=CC=CC(N(C)C)=C1 AK-51741 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.113 OC1=CC=CC([C@H](N)C)=C1 AK-77840 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.172 C1=C(C=CC=C1OC)CN AK-48953 [1,0,0,0,0,0|1,0,1]=3 141 B10R1.172 C1=CC(=CC(=C1)C=O)C#N AK-41581 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.172 CCC1=CC=CC(CO)=N1 AK-33575 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.172 COC1=CC(=NC=C1)CN AK-30303 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.172 COC1=CC(OC)=CC=C1 AK-91612 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.172 COC1=CC(OC)=NC=C1 AK-90158 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.172 COC1=CC=CC(=N1)C#N AK-29562 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.172 COC1=CC=CC(C#C)=C1 AK-40046 [1,0,0,0,0,0|1,0,1]=3 148 B10R1.172 COC1=CC=CC(CBr)=N1 AK-77201 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.172 COC1=CC=CC(CCl)=N1 AK100141 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.172 COC1=CC=CC(CO)=N1 AK-75971 [1,0,0,0,0,0|1,0,1]=3 151 B10R1.172 COC1=CC=CC(OC)=N1 AK-39487 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.172 COC1=CN=CC(=C1)C=O AK-29785 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.172 COC1=CN=CC(OC)=C1 AK-51294 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.172 COC1=NC=CC(=N1)C=O AK-31659 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.172 CSC1=NC=CC(=N1)C=O AK-23649 [1,0,0,0,0,0|2,1,0]=4 156 B10R1.172 N#CC1=CC=CC(CC)=C1 AK-81888 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.172 N#CC1=CC=CC(NC)=C1 AK137807 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.172 N#CC1=CC=CC(OC)=C1 AK-88694 [1,0,0,0,0,0|1,0,1]=3 159 B10R1.172 N#CC1=NC=CC(OC)=C1 AK-51293 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.172 NCC1=NC=CC(OC)=C1 AK145886 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.172 O=CC1=CC=CC(CBr)=C1 AK-54641 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.172 O=CC1=CC=CC(CC)=C1 AK-94141 [1,0,0,0,0,0|1,0,0]=2 163 B10R1.172 O=CC1=CC=CC(OC)=C1 AK-84426 [1,0,0,0,0,0|0,0,0]=1 164 B10R1.172 O=CC1=CC=NC(OC)=C1 AK-36228 [1,0,0,0,0,0|1,0,0]=2 165 B10R1.172 O=CC1=CN=CC(=C1)C#N AK-82321 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.172 O=CC1=NC(=CC=C1)C#N AK-99905 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.172 O=CC1=NC(C=O)=CC=C1 AK-26102 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.172 O=CC1=NC(CC)=CC=C1 AK100815 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.172 O=CC1=NC(CF)=CC=C1 AK-47251 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.172 O=CC1=NC(NC)=NC=C1 AK-24425 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.172 O=CC1=NC(OC)=CC=C1 AK-26099 [1,0,0,0,0,0|1,0,0]=2 172 B10R1.172 O=CC1=NC=CC(=C1)C#N AK-40696 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.172 O=CC1=NC=CC(OC)=C1 AK-64229 [1,0,0,0,0,0|1,0,0]=2 174 B10R1.172 OCC1=CC(OC)=NC=C1 AK-28607 [1,0,0,0,0,0|1,0,1]=3 175 B10R1.172 OCC1=CC=CC(OC)=C1 AK106250 [1,0,0,0,0,0|0,0,1]=2 176 B10R1.172 OCC1=NC=CC(OC)=C1 AK-28854 [1,0,0,0,0,0|1,0,1]=3 177 B12R1.11 C1=C(C)C=C(C(=O)O)C=C1OC AK-40077 [0,1,0,0,0,0|0,0,0]=1 178 B12R1.11 COC1=CC(=CC(Br)=N1)C(O)=O AK-55005 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.11 COC1=CC(=CC(Cl)=C1)C(O)=O AK-29555 [0,1,0,0,0,0|0,0,0]=1 180 B12R1.11 COC1=CC(=CC(Cl)=N1)C(O)=O AK-28837 [0,1,0,0,0,0|1,0,0]=2 181 B12R1.11 COC1=CC(=CC(F)=C1)B(O)O AK-35837 [0,1,0,0,0,0|1,0,1]=3 182 B12R1.11 FC1=CC(=CC(=C1)C(=O)O)OC AK-48893 [0,1,0,0,0,0|0,0,0]=1 183 B12R1.11 O=C(N)C1=CC(OC)=CC(N)=C1 AK143753 [0,1,0,0,0,0|1,0,0]=2 184 B12R1.11 O=C(O)C1=CC(OC)=CC(Br)=C1 AK-77194 [0,1,0,0,0,0|0,0,0]=1 185 B12R1.11 O=C(O)C1=CC(OC)=CC(N)=C1 AK115567 [0,1,0,0,0,0|0,0,0]=1 186 B12R1.11 O=[N+](C1=CC(OC)=CC(Br)=C1)[O-] AK-47926 [0,1,0,0,0,0|1,0,1]=3 187 B12R1.56 BrC1=C(C=C(C(=O)O)C=C1)OC AK-35652 [0,1,0,0,0,0|0,0,0]=1 188 B12R1.56 C1=C(C(=CC=C1C(O)=O)N)OC AK-24762 [0,1,0,0,0,0|0,0,0]=1 189 B12R1.56 C1=C(C=CC(=C1OC)C)[N+](=O)[O-] AK-46622 [0,1,0,0,0,0|1,0,1]=3 190 B12R1.56 C1=C(OC)C(=CC=C1C(O)=O)O AK-32998 [0,1,0,0,0,0|0,0,0]=1 191 B12R1.56 CC(C1=CC=C(Br)C(OC)=C1)=O AK144652 [0,1,0,0,0,0|1,0,0]=2 192 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F AK-36487 [0,1,0,0,0,0|0,0,0]=1 193 B12R1.56 COC1=C(C=CC(=C1)[N+]([O-])=O)F AK-27026 [0,1,0,0,0,0|1,0,1]=3 194 B12R1.56 COC1=C(I)C=CC(=C1)[N+]([O-])=O AK-79109 [0,1,0,0,0,0|1,0,1]=3 195 B12R1.56 COC1=CC([N+]([O-])=O)=CC=C1Br AK-27342 [0,1,0,0,0,0|1,0,1]=3 196 B12R1.56 C[C@@H](N)C1=CC=C(F)C(OC)=C1 AK-42093 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.56 C[C@H](N)C1=CC=C(F)C(OC)=C1 AK160451 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.56 C[C@H](N)C1=CC=C(F)C(OC)=C1 AK684510 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.56 FC1=C(C=C(C=C1)B(O)O)OC AK-39808 [0,1,0,0,0,0|1,0,1]=3 200 B12R1.56 N#CC1=CC(C(C)=O)=CC=C1Br AK141319 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.56 N#CC1=CC(C(C)=O)=CC=C1F AK-94339 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.56 O=C(O)C1=CC=C(Br)C(CO)=C1 AK-93326 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 AK-36196 [0,1,0,0,0,0|0,0,0]=1 204 B12R1.56 O=C(O)C1=CC=C(Cl)C(OC)=C1 AK-36584 [0,1,0,0,0,0|0,0,0]=1 205 B12R1.56 O=C(O)C1=CC=C(F)C(C=O)=C1 AK-32005 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.56 O=C(O)C1=CC=C(N)C(C#N)=C1 AK141776 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.56 O=C(O)C1=CC=C(N)C(CC)=C1 AK-92304 [0,1,0,0,0,0|1,0,0]=2 208 B12R1.56 O=C(O)C1=CC=C(N)C(CO)=C1 AK503090 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.56 O=C(O)C1=CC=C(O)C(C=O)=C1 AK-82772 [0,1,0,0,0,0|2,0,0]=3 210 B12R1.56 O=C(O)C1=NC(OC)=C(Br)C=C1 AK100452 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.56 O=C(O)C1=NC(OC)=C(Cl)C=C1 AK-76603 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.56 O=[N+](C1=CC=C(Cl)C(OC)=C1)[O-] AK-25246 [0,1,0,0,0,0|1,0,1]=3 213 B12R1.56 O=[N+](C1=CN=C(Cl)C(OC)=C1)[O-] AK-50572 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.56 OC(=O)C1=CC(C#N)=C(O)C=C1 AK-32532 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.56 OC1=CC=C([N+]([O-])=O)C=C1OC AK-29154 [0,1,0,0,0,0|1,0,1]=3 216 B12R1.258 C1=C(C=CC=C1C(=O)C)B(O)O AK-45483 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.258 C1=C(C=CC=C1C(=O)N)B(O)O AK-47606 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.258 C1=CC=C(C=C1B(O)O)C(C)C AK-45596 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.258 CC(C)C1=CC=CC(=C1)C(C)=O AK110654 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.258 CC(C1=CC(B(O)O)=CC=C1)O AK-94721 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.258 CC(C1=CC=CC([C@@H](N)C)=C1)=O AK608009 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.258 CC(C1=CC=CC([N+]([O-])=O)=C1)=O AK-47776 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.258 CC(O)C1=CC=CC([N+]([O-])=O)=C1 AK-82389 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.258 CN(C)C1=CC=CC(=C1)B(O)O AK-33777 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.258 CN(C)C1=NC(=CC=N1)C(O)=O AK-24024 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.258 O=C(C1=CC(C(O)=O)=CN=C1)O AK-59859 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.258 O=C(C1=CC=CC(C(C)=O)=N1)C AK-32871 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.258 O=C(C1=NC(C(O)=O)=CC=C1)O AK-49834 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.258 O=C(C1=NC(N(C)C)=CN=C1)O AK-66991 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.258 O=C(C1=NC=CC(C(F)F)=C1)O AK281521 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.258 O=C(C1=NC=CC(C(O)=O)=C1)O AK-76641 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.258 O=C(O)C1=CC=CC(B(O)O)=C1 AK-34376 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.258 O=C(O)C1=CC=CC(C(N)=O)=C1 AK-64352 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.258 O=C(O)C1=CC=CC(C(O)=O)=C1 AK114214 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.258 O=C(O)C1=CC=CC(C(O)C)=C1 AK141759 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.258 O=C(O)C1=CC=CC(N(C)C)=C1 AK-72867 [0,1,0,0,0,0|1,0,0]=2 237 B12R1.258 O=C(O)C1=CC=CC([N+]([O-])=O)=C1 AK-77247 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.258 O=C(O)C1=CC=NC(C(C)C)=C1 AK442014 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.258 O=C(O)C1=CN=CC([N+]([O-])=O)=C1 AK-25570 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.258 O=C(O)C1=NC=CC([N+]([O-])=O)=C1 AK-28777 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.258 [N+](=O)([O-])C1=CC=CC(=N1)C(=O)O AK-29967 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.258 [N+](=O)([O-])C1=NC=CC(=C1)C(=O)O AK-28069 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.279 C(#N)CC1=CC=CC(=C1)C(=O)O AK-35677 [0,1,0,0,0,0|1,0,1]=3 244 B12R1.279 C1=C([N+]([O-])=O)C=CC=C1CNC AK-16715 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.279 COCC1=CC=CC(=C1)C(O)=O AK-81405 [0,1,0,0,0,0|0,0,0]=1 246 B12R1.279 O=C(O)C1=NC=CC(CCO)=C1 AK141577 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.279 OCCC1=CC=CC(=C1)B(O)O AK-77608 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.435 C(#N)C1=NC=CC(=C1)C(=O)OC AK-31773 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.435 C1=C(C=C(C=C1)C(OC)=O)C#N AK-44521 [0,1,0,0,0,0|2,0,0]=3 250 B12R1.435 C1=C(C=CC=C1C(OC)=O)C=O AK-45765 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.435 C1=C(C=CC=C1CBr)C(=O)OC AK-45772 [0,1,0,0,0,0|2,0,0]=3 252 B12R1.435 C1=C(C=CC=C1OC)C(CBr)=O AK-72958 [0,1,0,0,0,0|1,0,0]=2 253 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 AK-64761 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.435 COC(=O)C1=CC=NC(CO)=C1 AK-76202 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.435 COC(=O)C1=NC(=CC=C1)C#C AK-39902 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 AK-39343 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 AK544247 [0,1,0,0,0,0|1,0,1]=3 258 B12R1.435 COC1=CC=CC(=C1)C(CC)=O AK-47465 [0,1,0,0,0,0|1,0,0]=2 259 B12R1.435 COC1=NC=CC([C@@H](N)CO)=C1 AK608036 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.435 COC1=NC=CC([C@H](N)CO)=C1 AK608018 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.435 CSC1=CC([C@H](N)CO)=CC=C1 AK607965 [0,1,0,0,0,0|1,1,1]=4 262 B12R1.435 N[C@@H](C1=CC=CC(OC)=C1)CC AK-42211 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC AK-28325 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.435 O=C(C1=CC=CC(OC)=C1)C=O AK-10036 [0,1,0,0,0,0|0,0,1]=2 265 B12R1.435 O=C(C1=NC(OC)=CN=C1)OC AK-68422 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.435 O=C(C1=NC=CC(OC)=C1)OC AK-45505 [0,1,0,0,0,0|1,0,0]=2 267 B12R1.435 O=C(OC)C1=CC=CC(C#C)=C1 AK-88599 [0,1,0,0,0,0|1,0,1]=3 268 B12R1.435 O=C(OC)C1=CC=NC(C#C)=C1 AK151768 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.435 O=C(OC)C1=CC=NC(C=O)=C1 AK100394 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.435 O=C(OC)C1=CC=NC(CBr)=C1 AK163967 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.435 O=C(OC)C1=CC=NC(OC)=C1 AK-28606 [0,1,0,0,0,0|1,0,0]=2 272 B12R1.435 O=C(OC)C1=CN=CC(C#N)=C1 AK-27141 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.435 O=C(OC)C1=CN=CC(CCl)=C1 AK134747 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.435 O=C(OC)C1=CN=CC(CN)=C1 AK543180 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.435 O=C(OC)C1=CN=CC(CO)=C1 AK-57253 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.435 O=C(OC)C1=NC(C#N)=CC=C1 AK-39973 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.435 O=C(OC)C1=NC(CBr)=CC=C1 AK-29873 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.435 O=C(OC)C1=NC(CC)=CC=C1 AK100751 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.435 O=C(OC)C1=NC(CF)=CC=C1 AK-26515 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.435 O=C(OC)C1=NC(CN)=CC=C1 AK154847 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.435 O=C(OC)C1=NC(CO)=CC=C1 AK-61314 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.435 O=C(OC)C1=NC(OC)=CC=C1 AK-76230 [0,1,0,0,0,0|1,0,0]=2 283 B12R1.435 O=C(OC)C1=NC=CC(C=O)=C1 AK112528 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.435 O=C(OC)C1=NC=CC(CO)=C1 AK144125 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.436 COC1=CC(C(C)(C)C)=CC=C1 AK154924 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.436 COC1=CC([B-](F)(F)F)=CC=C1 AK115532 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.440 C1=C(C(=C(C=C1)OC)N)C(O)=O AK-29138 [0,1,0,0,0,0|0,0,0]=1 288 B12R1.440 C1=CC=C(C(=C1C(O)=O)O)OC AK-47661 [0,1,0,0,0,0|0,0,0]=1 289 B12R1.440 C1=CC=C(C(=C1[N+](=O)[O-])C)OC AK-32454 [0,1,0,0,0,0|1,0,1]=3 290 B12R1.440 C1=CC=C([N+]([O-])=O)C(=C1OC)N AK-33590 [0,1,0,0,0,0|1,0,1]=3 291 B12R1.440 CC1=C(OC)C=CC=C1B(O)O AK173432 [0,1,0,0,0,0|1,0,1]=3 292 B12R1.440 COC1=C(Cl)C(B(O)O)=CC=C1 AK-85577 [0,1,0,0,0,0|1,0,1]=3 293 B12R1.440 COC1=CC=CC(=C1C)C(=O)O AK-27088 [0,1,0,0,0,0|0,0,0]=1 294 B12R1.440 COC1=CC=CC(B(O)O)=C1F AK-34813 [0,1,0,0,0,0|1,0,1]=3 295 B12R1.440 COC1=CC=CC(C(C)=O)=C1N AK-41477 [0,1,0,0,0,0|1,0,0]=2 296 B12R1.440 ClC1=C(C=CC=C1[N+](=O)[O-])OC AK-24862 [0,1,0,0,0,0|1,0,1]=3 297 B12R1.440 O=C(O)C1=CC=CC(OC)=C1Br AK-75729 [0,1,0,0,0,0|0,0,0]=1 298 B12R1.440 O=C(O)C1=CC=CC(OC)=C1F AK-24777 [0,1,0,0,0,0|0,0,0]=1 299 B12R1.440 O=C(O)C1=CC=NC(OC)=C1C AK123562 [0,1,0,0,0,0|1,0,0]=2 300 B12R1.440 O=C(O)C1=CC=NC(OC)=C1Cl AK-77646 [0,1,0,0,0,0|1,0,0]=2 301 B12R1.440 O=C(O)C1=CC=NC(OC)=C1N AK-39940 [0,1,0,0,0,0|1,0,0]=2 302 B12R1.440 O=[N+](C1=C(Br)C(OC)=CC=C1)[O-] AK-26252 [0,1,0,0,0,0|1,0,1]=3 303 B12R1.440 OC(=O)C1=C(F)C(=CC=C1)C#N AK-53855 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.440 OC1=C([N+]([O-])=O)C=CC=C1OC AK120548 [0,1,0,0,0,0|1,0,1]=3 305 B12R1.453 C(C)(=O)C1=C(C=CC(=C1)C#N)O AK-34831 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.453 C1=C(C(=CC=C1OC)C)C(=O)O AK-39299 [0,1,0,0,0,0|0,0,0]=1 307 B12R1.453 C1=C(OC)C=CC(=C1[N+]([O-])=O)C AK-33706 [0,1,0,0,0,0|1,0,1]=3 308 B12R1.453 C1=CC(=C(C=C1OC)C(O)=O)Cl AK-35908 [0,1,0,0,0,0|0,0,0]=1 309 B12R1.453 COC1=CC(B(O)O)=C(C)C=C1 AK-61885 [0,1,0,0,0,0|1,0,1]=3 310 B12R1.453 COC1=CC(B(O)O)=C(Cl)C=C1 AK-36795 [0,1,0,0,0,0|1,0,1]=3 311 B12R1.453 COC1=CC(C(O)=O)=C(F)C=C1 AK-34877 [0,1,0,0,0,0|0,0,0]=1 312 B12R1.453 COC1=CC(C(O)=O)=C(O)C=C1 AK-45474 [0,1,0,0,0,0|0,0,0]=1 313 B12R1.453 COC1=NC=C(Cl)C(B(O)O)=C1 AK-35282 [0,1,0,0,0,0|2,0,1]=4 314 B12R1.453 ClC1=CN=C(C=C1C(=O)O)OC AK-31890 [0,1,0,0,0,0|1,0,0]=2 315 B12R1.453 ClC1=CN=C(N=C1C(=O)O)SC AK-27138 [0,1,0,0,0,0|2,1,0]=4 316 B12R1.453 FC1=C(C=C(C=C1)OC)B(O)O AK-32265 [0,1,0,0,0,0|1,0,1]=3 317 B12R1.453 FC1=CN=C(C=C1B(O)O)OC AK-25271 [0,1,0,0,0,0|2,0,1]=4 318 B12R1.453 NC1=C(C=C(C=C1)C#N)C(O)=O AK100858 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.453 NC1=CN=C(N=C1C(=O)O)SC AK-28112 [0,1,0,0,0,0|2,1,0]=4 320 B12R1.453 O=C(C1=NC(CC)=NC=C1Br)O AK127436 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.453 O=C(C1=NC(SC)=NC=C1Br)O AK-23806 [0,1,0,0,0,0|2,1,0]=4 322 B12R1.453 O=C(N)C1=CC(OC)=CC=C1N AK-41554 [0,1,0,0,0,0|1,0,0]=2 323 B12R1.453 O=C(O)C1=C(N)C=NC(OC)=C1 AK-28924 [0,1,0,0,0,0|1,0,0]=2 324 B12R1.453 O=C(O)C1=CC(C#N)=CC=C1F AK-33318 [0,1,0,0,0,0|2,0,0]=3 325 B12R1.453 O=C(O)C1=CC(CC)=CC=C1N AK126710 [0,1,0,0,0,0|1,0,0]=2 326 B12R1.453 O=C(O)C1=CC(OC)=CC=C1Br AK-34235 [0,1,0,0,0,0|0,0,0]=1 327 B12R1.453 O=C(O)C1=CC(OC)=CC=C1I AK-77325 [0,1,0,0,0,0|0,0,0]=1 328 B12R1.453 O=C(O)C1=CC(OC)=CC=C1N AK-25221 [0,1,0,0,0,0|0,0,0]=1 329 B12R1.453 O=C(O)C1=CC(SC)=CC=C1Cl AK-65172 [0,1,0,0,0,0|0,1,0]=2 330 B12R1.453 O=[N+](C1=CC(OC)=CC=C1Br)[O-] AK-44984 [0,1,0,0,0,0|1,0,1]=3 331 B12R1.453 O=[N+](C1=CC(OC)=CC=C1F)[O-] AK-35852 [0,1,0,0,0,0|1,0,1]=3 332 B12R1.453 O=[N+](C1=CC(OC)=CC=C1I)[O-] AK-87103 [0,1,0,0,0,0|1,0,1]=3 333 B12R1.453 O=[N+](C1=CC(OC)=CN=C1Cl)[O-] AK-51286 [0,1,0,0,0,0|2,0,1]=4 334 B12R1.453 OC(=O)C1=C(Br)C=CC(=C1)C#N AK100860 [0,1,0,0,0,0|2,0,0]=3 335 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O AK549131 [0,0,0,1,0,0|1,0,0]=2 336 B12R2.1384 OB(C1=CC=C2CCC2=C1)O AK164312 [0,0,0,1,0,0|2,0,1]=4 337 B10R1.31 C1=C(OC(=C1)CO)C(=O)O AK-26213 [0,0,0,0,1,0|3,0,0]=4 338 B10R1.31 CSC1=CC=C(S1)C(O)=O AK-34056 [0,0,0,0,1,0|1,1,0]=3 339 B10R1.31 O=C(C1=CC(C#N)=CO1)O AK-42021 [0,0,0,0,1,0|3,0,0]=4 340 B10R1.31 O=C(C1=CC=C(C=O)O1)O AK-58389 [0,0,0,0,1,0|3,0,0]=4 341 B10R1.31 O=C(C1=CC=C(C=O)S1)O AK-35246 [0,0,0,0,1,0|3,0,0]=4 342 B10R1.31 O=C(C1=CN(CC)N=C1)O AK-83434 [0,0,0,0,1,0|3,0,0]=4 343 B10R1.31 O=C(C1=CSC(CC)=N1)O AK-41200 [0,0,0,0,1,0|3,0,0]=4 344 B10R1.31 O=C(C1=CSC(CC)=N1)O AK107643 [0,0,0,0,1,0|3,0,0]=4 345 B10R1.31 O=C(C1=NC(CC)=CS1)O AK158458 [0,0,0,0,1,0|3,0,0]=4 346 B10R1.31 O=C(C1=NC=C(OC)O1)O AK139150 [0,0,0,0,1,0|2,0,0]=3 347 B10R1.31 OC(=O)C1=CC=C(O1)C#N AK-40423 [0,0,0,0,1,0|3,0,0]=4 348 B10R1.39 CCN1C=CC=C1C(C)=O AK-87978 [0,0,0,0,1,0|3,0,0]=4 349 B10R1.39 O=C(C1=CC=NN1CC)O AK-83430 [0,0,0,0,1,0|3,0,0]=4 350 B10R1.39 O=C(C1=CN=CN1CC)O AK118722 [0,0,0,0,1,0|3,0,0]=4 351 B10R1.39 O=C(C1=CSC=C1OC)O AK-36174 [0,0,0,0,1,0|1,0,0]=2 352 B10R1.39 OC(=O)C1=C(SC=C1)C=O AK110642 [0,0,0,0,1,0|3,0,0]=4 353 B12R1.438 CC(OC1=CC=CC(CBr)=C1)=O AK149577 [0,0,0,0,0,1|3,0,0]=4 354 B12R1.438 NC(NC1=CC=CC(OC)=C1)=N AK-68712 [0,0,0,0,0,1|2,0,0]=3 355 B12R1.438 O=C(O)CC1=CC(C#N)=NC=C1 AK140202 [0,0,0,0,0,1|3,0,0]=4 356 B12R1.438 O=C(O)CC1=CC(OC)=NC=C1 AK103183 [0,0,0,0,0,1|1,0,0]=2 357 B12R1.438 O=C(O)CC1=CC=CC(C=O)=C1 AK148333 [0,0,0,0,0,1|2,0,0]=3 358 B12R1.438 O=C(O)CC1=CC=CC(OC)=C1 AK-46642 [0,0,0,0,0,1|0,0,0]=1 359 B12R1.438 OC(=O)CC1=CC(=CC=C1)C#N AK-87994 [0,0,0,0,0,1|2,0,0]=3 360 B9R1.2 BrC1=CC(C=C)=CC=C1 AK-76367 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.2 C1=C(C=CC=C1C#N)O AK-47400 [2,0,0,0,0,0|1,0,1]=4 362 B9R1.2 C1=C(C=CN=C1OC)N AK-28456 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.2 C1=C(CO)C=CC=C1N AK-50595 [2,0,0,0,0,0|1,0,1]=4 364 B9R1.2 C1=C(NN)C=CC=C1C AK-47381 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.2 C1=CC=C(Br)N=C1C=O AK-25797 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [2,0,0,0,0,0|1,0,1]=4 368 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.2 C1=NC(=CC(=C1)C=O)Cl AK-32653 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.2 CC1=CC(=CN=C1)C=O AK-28384 [2,0,0,0,0,0|1,0,0]=3 371 B9R1.2 CC1=CC(=NC=C1)C=O AK-24250 [2,0,0,0,0,0|1,0,0]=3 372 B9R1.2 CC1=CC(CO)=NC=C1 AK-74173 [2,0,0,0,0,0|1,0,1]=4 373 B9R1.2 CC1=CC(OC)=NC=C1 AK-39493 [2,0,0,0,0,0|1,0,1]=4 374 B9R1.2 CC1=NC=CC(=N1)C=O AK-23647 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.2 CCC1=CC=CC(Br)=C1 AK111102 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.2 CNC1=CC=CC(Br)=C1 AK112706 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.2 COC1=CC(Br)=CC=C1 AK-76817 [2,0,0,0,0,0|1,0,0]=3 378 B9R1.2 COC1=CC(Br)=NC=C1 AK-36780 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.2 COC1=CC(C)=NC=C1 AK-67862 [2,0,0,0,0,0|1,0,1]=4 380 B9R1.2 COC1=CC(Cl)=CC=C1 AK106212 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.2 COC1=CC(Cl)=NC=C1 AK-25114 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.2 COC1=CC(NN=C1)=O AK-72484 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.2 COC1=CN=CC(=C1)O AK-28499 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.2 COC1=CN=CC(Br)=C1 AK-26045 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.2 COC1=NC=CC(=O)N1 AK-25126 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.2 COC1=NC=CC(Br)=C1 AK-47404 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.2 COC1=NC=CC(F)=C1 AK-77188 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.2 COC1=NC=CC(I)=C1 AK-37008 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.2 ClC1=CC(=NC=C1)OC AK-26290 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.2 ClC1=CC(CO)=CC=C1 AK-51231 [2,0,0,0,0,0|1,0,1]=4 392 B9R1.2 FC1=CC(=CN=C1)C=O AK-30355 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.2 FC1=CC(C=O)=NC=C1 AK-32767 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.2 FC1=CC(CO)=CC=C1 AK-51232 [2,0,0,0,0,0|1,0,1]=4 395 B9R1.2 FC1=NC(=CC=C1)C=O AK-25580 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.2 NC1=CC(=CN=C1)OC AK-27775 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.2 NC1=CC=CC(OC)=C1 AK309398 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.2 NC1=CC=CC(SC)=C1 AK162933 [2,0,0,0,0,0|1,1,0]=4 399 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.2 NC1=NC=CC(=C1)OC AK-25255 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.2 NCC1=CC=CC(C)=C1 AK-98167 [2,0,0,0,0,0|1,0,1]=4 402 B9R1.2 O=C1C=C(OC)C=CN1 AK-35484 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.2 O=CC1=CC=CC(Br)=C1 AK-77027 [2,0,0,0,0,0|1,0,0]=3 404 B9R1.2 O=CC1=CC=CC(Cl)=C1 AK-68812 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.2 O=CC1=CC=CC(F)=C1 AK112743 [2,0,0,0,0,0|1,0,0]=3 406 B9R1.2 O=CC1=CC=CC(I)=C1 AK-50045 [2,0,0,0,0,0|1,0,0]=3 407 B9R1.2 O=CC1=CC=CC(N)=C1 AK121859 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.2 O=CC1=CC=CC(O)=C1 AK-77369 [2,0,0,0,0,0|0,0,0]=2 409 B9R1.2 O=CC1=CC=NC(C)=C1 AK-30085 [2,0,0,0,0,0|1,0,0]=3 410 B9R1.2 O=CC1=CC=NC(Cl)=C1 AK165004 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.2 O=CC1=CC=NC(F)=C1 AK-29829 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.2 O=CC1=CC=NC(O)=C1 AK-24042 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.2 O=CC1=CN=CC(Br)=C1 AK-25300 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.2 O=CC1=CN=CC(O)=C1 AK139755 [2,0,0,0,0,0|1,0,0]=3 415 B9R1.2 O=CC1=NC(C)=CC=C1 AK-45099 [2,0,0,0,0,0|1,0,0]=3 416 B9R1.2 O=CC1=NC(Cl)=CC=C1 AK-29361 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.2 O=CC1=NC=CC(Br)=C1 AK-29828 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.2 OC1=CC(=CC=C1)C#C AK111295 [2,0,0,0,0,0|1,0,1]=4 419 B9R1.2 OC1=CC(CBr)=CC=C1 AK-99880 [2,0,0,0,0,0|1,0,1]=4 420 B9R1.2 OC1=CC(OC)=NC=C1 AK-68345 [2,0,0,0,0,0|1,0,0]=3 421 B9R1.2 OCC1=CC(C)=CN=C1 AK130310 [2,0,0,0,0,0|1,0,1]=4 422 B9R1.2 OCC1=CC(C)=NC=C1 AK-32751 [2,0,0,0,0,0|1,0,1]=4 423 B9R1.2 OCC1=CC=CC(Br)=C1 AK110441 [2,0,0,0,0,0|1,0,1]=4 424 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [2,0,0,0,0,0|1,0,1]=4 425 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [2,0,0,0,0,0|1,0,1]=4 429 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [2,0,0,0,0,0|1,0,1]=4 434 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [2,0,0,0,0,0|1,1,0]=4 439 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [2,0,0,0,0,0|1,0,0]=3 441 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [2,0,0,0,0,0|1,0,0]=3 444 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [2,0,0,0,0,0|1,0,0]=3 445 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [2,0,0,0,0,0|1,0,1]=4 446 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [2,0,0,0,0,0|1,0,0]=3 447 B11R1.21 BrC1=C(C=C(C(=O)O)C=C1)O AK-39977 [1,1,0,0,0,0|0,0,0]=2 448 B11R1.21 BrC1=C(C=C(C=C1)C(C)=O)F AK-34604 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.21 BrC1=C(C=CC(=C1)C(=O)O)Cl AK-30019 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.21 BrC1=CN=C(C=C1C)C(=O)O AK-37510 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.21 C1=C(C(=CC=C1C(=O)C)F)C AK-48194 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N AK-34321 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.21 C1=C(C(=CC=C1C(=O)O)N)C AK-34339 [1,1,0,0,0,0|0,0,0]=2 454 B11R1.21 C1=C(C(=CC=C1C(C)=O)F)Br AK-50601 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.21 C1=C(C(=CC=C1C(O)=O)Cl)O AK-25796 [1,1,0,0,0,0|0,0,0]=2 456 B11R1.21 C1=C(C(=CC=C1C(O)=O)O)C AK-46719 [1,1,0,0,0,0|0,0,0]=2 457 B11R1.21 C1=C(C=CC(=C1Br)C)C(O)=O AK-36339 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.21 C1=C(C=CC(=C1C)Cl)C(O)=O AK-47580 [1,1,0,0,0,0|0,0,0]=2 459 B11R1.21 C1=C(C=CC(=C1Cl)Cl)C(O)=O AK-46631 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.21 C1=C(C=CC(=C1F)C)C(O)=O AK-34796 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.21 C1=C(C=CC(=C1F)F)C(O)=O AK-47373 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.21 C1=C(C=CC(=C1F)O)C(C)=O AK-42173 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.21 C1=C(C=CC(=C1O)O)C(O)=O AK-47644 [1,1,0,0,0,0|0,0,0]=2 464 B11R1.21 C1=C(O)C(=CC=C1C(=O)O)N AK-34278 [1,1,0,0,0,0|0,0,0]=2 465 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1O)C AK-40855 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)F AK-35058 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.21 C1=CC(=C(C=C1C(O)=O)F)N AK-35239 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.21 C1=CC(=CC(=C1F)Cl)C(=O)C AK-49084 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.21 CC(C1=CC(C)=C(Cl)N=C1)=O AK139010 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.21 CC(C1=CC=C(Br)C(C)=C1)=O AK-65018 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O AK114290 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.21 CC(C1=CC=C(F)C(F)=C1)=O AK-53703 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.21 CC(C1=CC=C(I)C(Br)=C1)=O AK482929 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.21 CC(C1=CC=C(N)C(F)=C1)=O AK-94340 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.21 CC(C1=CC=C(O)C(Br)=C1)=O AK201265 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.21 CC(C1=CC=C(O)C(C)=C1)=O AK-41189 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O AK-42350 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.21 CC1=C(C)N=C(C=C1)C(O)=O AK-89986 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.21 CC1=C(F)C=CC(=N1)C(O)=O AK-38458 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.21 CC1=C(I)C=CC(=C1)[N+]([O-])=O AK-81676 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.21 CC1=CC(=CNC1=O)C(O)=O AK-78282 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.21 CC1=CC(B(O)O)=CC=C1O AK-85496 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.21 FC1=C(C=C(C=C1)B(O)O)O AK-36847 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.21 FC1=C(C=CC(=C1)C(=O)O)I AK-36475 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 AK-87520 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.21 NC1=C(I)C=CC(=C1)C(O)=O AK-82318 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.21 NC1=C(O)C=CC(=C1)C(O)=O AK-33476 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.21 NC1=CC(=CC=C1Cl)C(O)=O AK-73058 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.21 O=C(C1=CC(Br)=C(Br)N=C1)O AK-29099 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.21 O=C(C1=CC(Cl)=C(Cl)N=C1)O AK-25953 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.21 O=C(C1=NC(Cl)=C(C)C=C1)O AK-76573 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)N AK145245 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)O AK-34900 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.21 O=C(C=1C=CN(C)C(C1)=O)O AK-34747 [1,1,0,0,0,0|1,0,1]=4 498 B11R1.21 O=C(N)C1=CC=C(N)C(O)=C1 AK437623 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 AK-64921 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.21 O=C(O)C1=CC=C(Br)C(C)=C1 AK-26325 [1,1,0,0,0,0|0,0,0]=2 501 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 AK-86432 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.21 O=C(O)C1=CC=C(Br)C(F)=C1 AK-50383 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.21 O=C(O)C1=CC=C(Br)C(N)=C1 AK-34514 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.21 O=C(O)C1=CC=C(C)C(Cl)=C1 AK-73060 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 AK-51540 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.21 O=C(O)C1=CC=C(C)C(O)=C1 AK-61869 [1,1,0,0,0,0|0,0,0]=2 507 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=C1 AK-35057 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 AK-32644 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.21 O=C(O)C1=CC=C(F)C(C)=C1 AK-35056 [1,1,0,0,0,0|0,0,0]=2 510 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 AK-53849 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.21 O=C(O)C1=CC=C(F)C(N)=C1 AK-34274 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 AK-35418 [1,1,0,0,0,0|0,0,0]=2 513 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 AK174208 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 AK-44390 [1,1,0,0,0,0|0,0,0]=2 515 B11R1.21 O=C(O)C1=CC=C(N)C(Br)=C1 AK-35930 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.21 O=C(O)C1=CC=C(N)C(Cl)=C1 AK-34340 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.21 O=C(O)C1=CC=C(N)C(N)=C1 AK-45165 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 AK-34797 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 AK-23816 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 AK173995 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.21 O=C(O)C1=CN=C(Cl)C(I)=C1 AK324930 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 AK-49660 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.21 O=C(O)C1=CN=C(N)C(Br)=C1 AK-25059 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.21 O=C(O)C1=CN=C(N)C(N)=C1 AK126240 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.21 O=C(O)C1=NC(Br)=C(C)C=C1 AK138206 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 AK-53664 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 AK-53910 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.21 O=C(O)C1=NC(C)=C(Br)C=C1 AK-61563 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 AK-53898 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 AK-53913 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 AK-92903 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 AK-55136 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.21 O=C(O)C1=NC=C(C)C(Br)=C1 AK137974 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.21 O=[N+](C1=CC=C(Br)C(C)=C1)[O-] AK-54902 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.21 O=[N+](C1=CC=C(Cl)C(C)=C1)[O-] AK-54903 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.21 O=[N+](C1=CC=C(F)C(C)=C1)[O-] AK-35240 [1,1,0,0,0,0|1,0,1]=4 537 B11R1.21 OB(C1=CC=C(C)C(C)=C1)O AK-45214 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.21 OB(C1=CC=C(Cl)C(C)=C1)O AK-33546 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.21 OB(C1=CC=C(F)C(C)=C1)O AK-33223 [1,1,0,0,0,0|1,0,1]=4 540 B11R1.21 OC(=O)C1=CC(=O)C(O)=CN1 AK-89588 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.21 OC(=O)C1=CC(Br)=C(I)C=C1 AK-80847 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 AK-64714 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.21 OC(=O)C1=CC(I)=C(Cl)C=C1 AK-35135 [1,1,0,0,0,0|1,0,0]=3 544 B11R1.21 OC(=O)C1=CC=C(Cl)C(=O)N1 AK100453 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.21 OC(=O)C1=NC=C(Cl)C(Cl)=C1 AK-67884 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.21 OC1=C(Br)C=CC(=C1)[N+]([O-])=O AK-80891 [1,1,0,0,0,0|1,0,1]=4 547 B11R1.21 OC1=CC(=CC=C1Cl)N(=O)=O AK-26191 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.21 OC1=CC(B(O)O)=CC=C1Cl AK-93984 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.21 OC1=CC([N+]([O-])=O)=CC=C1F AK-34204 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [1,1,0,0,0,0|0,0,0]=2 552 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.23 C1=C(C=NC=C1C(OC)=O)Br AK-25229 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.23 C1=C(Cl)N=CC=C1C(OC)=O AK-28605 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.23 C1=C(N=CC=C1C(OC)=O)N AK-25223 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 AK548236 [1,1,0,0,0,0|1,0,1]=4 561 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [1,1,0,0,0,0|1,0,1]=4 565 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AK-29954 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [1,1,0,0,0,0|1,0,1]=4 568 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.23 NC1=CC(=CN=C1)C(=O)OC AK-28608 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 AK-39193 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 AK-60929 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.23 O=C(C1=CC=CC(Cl)=C1)C=O AK-10035 [1,1,0,0,0,0|1,0,1]=4 578 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.23 O=C(NN)C1=NC(O)=CC=C1 AK467135 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.23 O=C(OC)C1=CC=NC(F)=C1 AK-86837 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.23 OC1=CC(=CN=C1)C(=O)OC AK-47062 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.23 OC1=CC=CC(C(N)CO)=C1 AK608024 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.74 BrC1=CC(=CC(=C1)C(=O)O)C AK-35753 [1,1,0,0,0,0|0,0,0]=2 594 B11R1.74 BrC1=NC(=CC(=C1)C(=O)O)Br AK-25563 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.74 C1=C(C=C(C=C1C(O)=O)C)C AK-45888 [1,1,0,0,0,0|0,0,0]=2 596 B11R1.74 C1=C(C=C(C=C1C(O)=O)Cl)Cl AK-47334 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.74 C1=C(C=C(C=C1C(O)=O)F)C AK-35437 [1,1,0,0,0,0|0,0,0]=2 598 B11R1.74 C1=C(C=C(C=C1C(O)=O)F)F AK-29265 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.74 C1=C(C=C(C=C1C)C)B(O)O AK-33683 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 AK-88050 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AK-43858 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.74 CC(C1=CC(Br)=CC(Br)=C1)=O AK-87691 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.74 CC(C1=CC(C)=CC(Br)=C1)=O AK143673 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.74 CC(C1=CC(Cl)=CC(Cl)=C1)=O AK-86403 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O AK-44507 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O AK-45934 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.74 CC1=CC(=CC(=C1)N)[N+](=O)[O-] AK-35871 [1,1,0,0,0,0|1,0,1]=4 608 B11R1.74 CC1=CC(=CC(C)=N1)C(O)=O AK-29366 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.74 CC1=CC(=CC(N)=C1)C(O)=O AK-34242 [1,1,0,0,0,0|0,0,0]=2 610 B11R1.74 CC1=CC(Cl)=CC(B(O)O)=C1 AK-78611 [1,1,0,0,0,0|1,0,1]=4 611 B11R1.74 CC1=CC(F)=CC(B(O)O)=C1 AK-26364 [1,1,0,0,0,0|1,0,1]=4 612 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C AK-23860 [1,1,0,0,0,0|1,0,0]=3 613 B11R1.74 ClC1=CC(=NC(=C1)C(=O)O)Cl AK-32490 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.74 FC1=CC(=CC(=C1)C)[N+](=O)[O-] AK-35334 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)F AK-37396 [1,1,0,0,0,0|1,0,0]=3 616 B11R1.74 NC1=CC(Cl)=CC(=C1)C(O)=O AK-45965 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.74 NC1=CC(O)=CC(=C1)C(O)=O AK-59360 [1,1,0,0,0,0|0,0,0]=2 618 B11R1.74 O=C(C=1C=C(Cl)NC(C1)=O)O AK151344 [1,1,0,0,0,0|1,0,1]=4 619 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 AK-73084 [1,1,0,0,0,0|1,0,0]=3 620 B11R1.74 O=C(O)C1=CC(Br)=CC(N)=C1 AK-61316 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.74 O=C(O)C1=CC(C)=CC(Cl)=C1 AK-75961 [1,1,0,0,0,0|0,0,0]=2 622 B11R1.74 O=C(O)C1=CC(C)=CC(O)=C1 AK-47209 [1,1,0,0,0,0|0,0,0]=2 623 B11R1.74 O=C(O)C1=CC(C)=NC(Cl)=C1 AK-25667 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.74 O=C(O)C1=CC(C)=NC(O)=C1 AK-48984 [1,1,0,0,0,0|1,0,0]=3 625 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=C1 AK-76578 [1,1,0,0,0,0|1,0,0]=3 626 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 AK-29357 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 AK115966 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 AK-33873 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.74 O=C(O)C1=CC(N)=CC(N)=C1 AK-41179 [1,1,0,0,0,0|1,0,0]=3 630 B11R1.74 O=C(O)C1=CC(O)=CC(Cl)=C1 AK107678 [1,1,0,0,0,0|0,0,0]=2 631 B11R1.74 O=C(O)C1=CC(O)=CC(F)=C1 AK-67889 [1,1,0,0,0,0|0,0,0]=2 632 B11R1.74 O=C(O)C1=CC(O)=CC(N)=C1 AK-36312 [1,1,0,0,0,0|0,0,0]=2 633 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 AK-44160 [1,1,0,0,0,0|0,0,0]=2 634 B11R1.74 O=C(O)C1=NC(C)=CC(C)=C1 AK-33798 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.74 O=C(O)C1=NC(C)=CC(Cl)=C1 AK174217 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.74 O=[N+](C1=CC(C)=CC(Br)=C1)[O-] AK-40030 [1,1,0,0,0,0|1,0,1]=4 637 B11R1.74 O=[N+](C1=CC(C)=CC(Cl)=C1)[O-] AK-46829 [1,1,0,0,0,0|1,0,1]=4 638 B11R1.74 OB(C1=CC(O)=CC(F)=C1)O AK-36629 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.74 OC(=O)C1=CC(Cl)=CC(I)=C1 AK-34536 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.74 OC(=O)C1=CC(I)=CC(F)=C1 AK-36219 [1,1,0,0,0,0|1,0,0]=3 641 B11R1.74 OC(=O)C1=CC(I)=CC(I)=C1 AK-79041 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.74 OC1=CC(Br)=CC(=C1)[N+]([O-])=O AK-77058 [1,1,0,0,0,0|1,0,1]=4 643 B11R1.74 OC1=CC([N+]([O-])=O)=CC(C)=C1 AK-33072 [1,1,0,0,0,0|1,0,1]=4 644 B11R1.74 OC1=CC([N+]([O-])=O)=CC(Cl)=C1 AK158594 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.155 O=S(C1=CC(C)=CN=C1)(O)=O AK-29286 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.155 O=S(C1=CC=CC(C)=C1)(N)=O AK-59822 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.155 OC1=CC=CC(C(C)(O)C)=C1 AK116134 [1,1,0,0,0,0|1,0,1]=4 648 B11R1.159 BrC1=C(C(=O)O)C=CC=C1C AK-28470 [1,1,0,0,0,0|0,0,0]=2 649 B11R1.159 BrC1=C(C(=O)O)C=CC=C1F AK-25368 [1,1,0,0,0,0|1,0,0]=3 650 B11R1.159 BrC1=CC=CC(=C1Cl)C(=O)O AK-41763 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.159 BrC1=CC=CC(=C1F)C(C)=O AK-33547 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.159 BrC1=CC=CC(=C1O)C(=O)O AK-24666 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.159 C1=C(C(=C(C=C1)C)N)C(O)=O AK-35167 [1,1,0,0,0,0|0,0,0]=2 654 B11R1.159 C1=C(C(=C(C=C1)C)N)[N+](=O)[O-] AK-35684 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.159 C1=C(C(=C(C=C1)F)C)C(O)=O AK-26272 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.159 C1=C(C(=C(C=C1)O)N)C(O)=O AK-35611 [1,1,0,0,0,0|0,0,0]=2 657 B11R1.159 C1=C([N+]([O-])=O)C(=C(O)C=C1)Cl AK-24861 [1,1,0,0,0,0|1,0,1]=4 658 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)C AK-26167 [1,1,0,0,0,0|0,0,0]=2 659 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)Cl AK-29499 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.159 C1=CC=C(C(=C1C(O)=O)N)F AK-29556 [1,1,0,0,0,0|1,0,0]=3 661 B11R1.159 C1=CC=C(C(=C1C(O)=O)O)F AK-34755 [1,1,0,0,0,0|1,0,0]=3 662 B11R1.159 C1=CC=C(C(=C1[N+](=O)[O-])Br)C AK-23605 [1,1,0,0,0,0|1,0,1]=4 663 B11R1.159 C1=CC=C(C(=C1[N+](=O)[O-])Cl)C AK-47309 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.159 C1=CC=C(C(=C1[N+]([O-])=O)O)C AK-40877 [1,1,0,0,0,0|1,0,1]=4 665 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O AK-33819 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.159 CC(C1=CC=CC(C)=C1F)=O AK327202 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.159 CC(C1=CC=CC(Cl)=C1Cl)=O AK-75733 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O AK-34682 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.159 CC(C1=CC=CC(F)=C1Br)=O AK145989 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.159 CC(C1=CC=CC(F)=C1Cl)=O AK-94336 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.159 CC(C1=CC=CC(N)=C1O)=O AK-26283 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.159 CC(C1=CC=CC(O)=C1N)=O AK-80116 [1,1,0,0,0,0|1,0,0]=3 673 B11R1.159 CC(C1=CC=CC(O)=C1O)=O AK-33157 [1,1,0,0,0,0|1,0,0]=3 674 B11R1.159 CC1=C(O)C=CC=C1C(O)=O AK-45470 [1,1,0,0,0,0|0,0,0]=2 675 B11R1.159 CC1=CC=CC(C(O)=O)=C1I AK-61437 [1,1,0,0,0,0|0,0,0]=2 676 B11R1.159 CN1C(=O)C=CC=C1C(O)=O AK-84571 [1,1,0,0,0,0|1,0,1]=4 677 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O AK-35914 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.159 FC1=C(C(=O)O)C=CC=C1I AK-35201 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.159 FC1=C(C=CC=C1[N+](=O)[O-])O AK-28239 [1,1,0,0,0,0|1,0,1]=4 680 B11R1.159 FC1=CC=CC(=C1I)C(=O)O AK-34964 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.159 FC1=NC=CC(=C1F)C(=O)O AK-36566 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.159 NC(=O)C1=C(N)C(Br)=CC=C1 AK109579 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.159 NC1=C(C=CN=C1Cl)C(O)=O AK-55039 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.159 NC1=C(Cl)C=CC=C1C(O)=O AK-31072 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.159 NC1=C(O)C=CC=C1N(=O)=O AK-26168 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.159 NC1=CC=CC(=C1Cl)C(=O)O AK-32822 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.159 O=C(C1=CC=CC(N1O)=O)O AK-88861 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.159 O=C(N)C1=CC=CC(C)=C1N AK113423 [1,1,0,0,0,0|1,0,0]=3 689 B11R1.159 O=C(N)C1=CC=CC(Cl)=C1F AK305347 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.159 O=C(N)C1=CC=CC(N)=C1N AK-32166 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.159 O=C(O)C1=CC=CC(Br)=C1C AK-27090 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.159 O=C(O)C1=CC=CC(Br)=C1F AK-23680 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.159 O=C(O)C1=CC=CC(Br)=C1I AK-73145 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.159 O=C(O)C1=CC=CC(Br)=C1N AK-28094 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.159 O=C(O)C1=CC=CC(C)=C1F AK-34640 [1,1,0,0,0,0|0,0,0]=2 696 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Cl AK-48292 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1F AK-29899 [1,1,0,0,0,0|1,0,0]=3 698 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I AK-68531 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O AK-75898 [1,1,0,0,0,0|1,0,0]=3 700 B11R1.159 O=C(O)C1=CC=CC(F)=C1Cl AK-32695 [1,1,0,0,0,0|1,0,0]=3 701 B11R1.159 O=C(O)C1=CC=CC(F)=C1F AK-48902 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.159 O=C(O)C1=CC=CC(I)=C1N AK-64570 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.159 O=C(O)C1=CC=CC(N)=C1C AK-45495 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.159 O=C(O)C1=CC=CC(N)=C1F AK-36851 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.159 O=C(O)C1=CC=CC(O)=C1O AK-24541 [1,1,0,0,0,0|0,0,0]=2 706 B11R1.159 O=C(O)C1=CC=NC(Br)=C1Br AK-86977 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1C AK-81020 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Cl AK-28927 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Br AK127033 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl AK144516 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.159 O=C(O)C1=CN=CC(Br)=C1N AK112514 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O AK-84818 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.159 O=[N+](C1=C(F)C(C)=CC=C1)[O-] AK-35165 [1,1,0,0,0,0|1,0,1]=4 714 B11R1.159 O=[N+](C1=C(I)C(C)=CC=C1)[O-] AK115865 [1,1,0,0,0,0|1,0,1]=4 715 B11R1.159 OB(C1=CC=CC(C)=C1C)O AK-33817 [1,1,0,0,0,0|1,0,1]=4 716 B11R1.159 OC(=O)C1=C(Br)C(Cl)=CC=C1 AK-35679 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.159 OC(=O)C1=C(Br)C(I)=CC=C1 AK-28155 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.159 OC1=C(F)C(B(O)O)=CC=C1 AK-93591 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.159 OC1=CC=CC([N+]([O-])=O)=C1C AK-23641 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.167 BrC1=C(C(=O)O)C=C(C=N1)Br AK-34554 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.167 BrC1=C(C=C(C=C1)O)[N+](=O)[O-] AK-24863 [1,1,0,0,0,0|1,0,1]=4 722 B11R1.167 BrC1=CC(=C(N=C1)Cl)C(=O)O AK-23807 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.167 BrC1=CC(=C(N=C1)F)C(=O)O AK-26870 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.167 BrC1=NC=C(C(=C1)C(=O)O)Br AK-62144 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.167 C1=C(Br)C=CC(=C1C(=O)C)O AK-47862 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.167 C1=C(Br)C=CC(=C1C(O)=O)Br AK-26176 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.167 C1=C(C(=CC=C1Br)C)C(O)=O AK-26338 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.167 C1=C(C(=CC=C1C)Br)C(O)=O AK-30136 [1,1,0,0,0,0|0,0,0]=2 729 B11R1.167 C1=C(C(=CC=C1C)F)C(O)=O AK-34671 [1,1,0,0,0,0|0,0,0]=2 730 B11R1.167 C1=C(C(=CC=C1Cl)Br)C(O)=O AK-28994 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.167 C1=C(C(=CC=C1Cl)C)C(O)=O AK-32605 [1,1,0,0,0,0|1,0,0]=3 732 B11R1.167 C1=C(C(=CC=C1F)N)C(O)=O AK-35193 [1,1,0,0,0,0|1,0,0]=3 733 B11R1.167 C1=C(C(=CC=C1O)C)C(=O)O AK-40532 [1,1,0,0,0,0|0,0,0]=2 734 B11R1.167 C1=C(C(=NC=C1Br)N)C(=O)O AK-23512 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)C AK-48911 [1,1,0,0,0,0|0,0,0]=2 736 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)N AK-34555 [1,1,0,0,0,0|0,0,0]=2 737 B11R1.167 C1=C(C)C=CC(=C1[N+](=O)[O-])C AK-47450 [1,1,0,0,0,0|1,0,1]=4 738 B11R1.167 C1=C(C)C=CC(=C1[N+](=O)[O-])F AK-39501 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.167 C1=C(C=CC(=C1B(O)O)C)C AK-36572 [1,1,0,0,0,0|1,0,1]=4 740 B11R1.167 C1=C(Cl)C=CC(=C1C(C)=O)Cl AK-73074 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O AK-44071 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.167 C1=C(Cl)C=CC(=C1C(O)=O)Cl AK-47665 [1,1,0,0,0,0|1,0,0]=3 743 B11R1.167 C1=C(Cl)C=CC(=C1C(O)=O)N AK-26989 [1,1,0,0,0,0|1,0,0]=3 744 B11R1.167 C1=C(I)C=CC(=C1C(O)=O)N AK-35517 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.167 C1=C(N)C=CC(=C1C(O)=O)Cl AK-36786 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.167 C1=C(N)C=CC(=C1C(O)=O)O AK-72925 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.167 C1=C(O)C=CC(=C1[N+]([O-])=O)C AK-34018 [1,1,0,0,0,0|1,0,1]=4 748 B11R1.167 C1=C(O)C=CC(=C1[N+]([O-])=O)N AK-46587 [1,1,0,0,0,0|1,0,1]=4 749 B11R1.167 C1=C([N+]([O-])=O)C(=CC=C1C)Br AK-48908 [1,1,0,0,0,0|1,0,1]=4 750 B11R1.167 C1=CC(=NC(=C1Cl)C(O)=O)Cl AK-25485 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 AK-68014 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 AK-28102 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 AK109676 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 AK-30761 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 AK-30762 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.167 CC(C1=C(C=CC(=C1)F)Cl)=O AK-48949 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.167 CC(C1=CC(Br)=CC=C1C)=O AK147547 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.167 CC(C1=CC(Br)=CC=C1Cl)=O AK109534 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.167 CC(C1=CC(Br)=CC=C1F)=O AK-28059 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.167 CC(C1=CC(Br)=CC=C1N)=O AK-28616 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.167 CC(C1=CC(Cl)=CC=C1Br)=O AK-51654 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.167 CC(C1=CC(Cl)=CC=C1F)=O AK-76691 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.167 CC(C1=CC(F)=CC=C1Br)=O AK-45663 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.167 CC(C1=CC(F)=CC=C1I)=O AK136027 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.167 CC(C1=CC(F)=CC=C1O)=O AK-45396 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.167 CC(C1=CC(N)=CC=C1O)=O AK116395 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.167 CC(C1=CC(O)=CC=C1O)=O AK-51301 [1,1,0,0,0,0|1,0,0]=3 768 B11R1.167 CC1=CC(=C(Cl)C=C1)[N+]([O-])=O AK-54912 [1,1,0,0,0,0|1,0,1]=4 769 B11R1.167 CC1=CC=C(C)C(=N1)C(O)=O AK-76881 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.167 CC1=CC=C(O)C(B(O)O)=C1 AK-61725 [1,1,0,0,0,0|1,0,1]=4 771 B11R1.167 CC1=NC(C(O)=O)=C(C)N=C1 AK-80652 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.167 CC1=NC(C(O)=O)=C(Cl)C=N1 AK100033 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.167 CC1=NC=C(C(=N1)C(=O)O)Br AK-23643 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.167 CC1=NC=C(N)C(=C1)C(O)=O AK-55124 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.167 ClC1=C(C(=O)O)C=C(C=N1)Cl AK-27047 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.167 ClC1=NC=C(C=C1C(=O)O)C AK-39746 [1,1,0,0,0,0|1,0,0]=3 777 B11R1.167 FC1=CC(=C(C=C1)I)C(=O)O AK-26068 [1,1,0,0,0,0|1,0,0]=3 778 B11R1.167 IC1=CC(=C(C=C1)C)C(=O)O AK-23836 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.167 NC(=O)C1=C(I)C=CC(Br)=C1 AK103162 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.167 NC(=O)C1=C(N)C=CC(F)=C1 AK-35926 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.167 NC1=CC(=C(C=C1)Br)C(=O)O AK-34512 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.167 NC1=CC(=C(C=C1)C)C(=O)O AK-24895 [1,1,0,0,0,0|1,0,0]=3 783 B11R1.167 NC1=CC=C(Cl)N=C1C(O)=O AK-39553 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.167 NC1=CC=C(O)C=C1C(O)=O AK-45120 [1,1,0,0,0,0|0,0,0]=2 785 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl AK-26155 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.167 NC1=NC=C(C(=C1)C(=O)O)Br AK-76920 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.167 NC1=NC=C(C=C1C(=O)O)Cl AK-50594 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.167 O=C(C1=CC(Br)=CNC1=O)O AK-27746 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.167 O=C(C1=CC(Cl)=CN=C1C)O AK-41038 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.167 O=C(C1=NC(Cl)=CC=C1Br)O AK-39554 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.167 O=C(N)C1=CC(Br)=CC=C1N AK-63650 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O AK-25187 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.167 O=C(N)C1=CC(C)=CC=C1N AK-41693 [1,1,0,0,0,0|1,0,0]=3 794 B11R1.167 O=C(N)C1=CC(Cl)=CC=C1Cl AK-88605 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.167 O=C(N)C1=CC(F)=CC=C1F AK162940 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.167 O=C(N)C1=CC(N)=CC=C1F AK125480 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.167 O=C(O)C1=C(Br)C=NC(Cl)=C1 AK-30394 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.167 O=C(O)C1=C(Br)C=NC(O)=C1 AK-29593 [1,1,0,0,0,0|1,0,0]=3 799 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 AK-36007 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.167 O=C(O)C1=C(Cl)C=NC(C)=C1 AK123459 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.167 O=C(O)C1=C(Cl)C=NC(Cl)=C1 AK-26410 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 AK-25888 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.167 O=C(O)C1=C(Cl)N=CC(O)=C1 AK112903 [1,1,0,0,0,0|1,0,0]=3 804 B11R1.167 O=C(O)C1=C(F)C=NC(C)=C1 AK148000 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.167 O=C(O)C1=C(F)C=NC(Cl)=C1 AK-26942 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.167 O=C(O)C1=C(F)N=CC(C)=C1 AK-61406 [1,1,0,0,0,0|1,0,0]=3 807 B11R1.167 O=C(O)C1=C(N)C=NC(Br)=C1 AK-42019 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.167 O=C(O)C1=C(N)C=NC(F)=C1 AK-28881 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.167 O=C(O)C1=C(N)N=CC(C)=C1 AK-29345 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.167 O=C(O)C1=C(N)N=CC(I)=C1 AK-68339 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.167 O=C(O)C1=C(O)C=NC(Cl)=C1 AK-51287 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.167 O=C(O)C1=CC(Br)=CC=C1Cl AK-28993 [1,1,0,0,0,0|1,0,0]=3 813 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F AK-33317 [1,1,0,0,0,0|1,0,0]=3 814 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I AK-25605 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.167 O=C(O)C1=CC(Br)=CC=C1N AK-25578 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O AK-44136 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.167 O=C(O)C1=CC(Br)=CC=C1S AK116283 [1,1,0,0,0,0|1,0,0]=3 818 B11R1.167 O=C(O)C1=CC(C)=CC=C1Cl AK-35943 [1,1,0,0,0,0|0,0,0]=2 819 B11R1.167 O=C(O)C1=CC(C)=CC=C1I AK-35485 [1,1,0,0,0,0|0,0,0]=2 820 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F AK-30325 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.167 O=C(O)C1=CC(F)=CC=C1Br AK-35001 [1,1,0,0,0,0|1,0,0]=3 822 B11R1.167 O=C(O)C1=CC(F)=CC=C1C AK-34724 [1,1,0,0,0,0|1,0,0]=3 823 B11R1.167 O=C(O)C1=CC(F)=CC=C1F AK-29107 [1,1,0,0,0,0|1,0,0]=3 824 B11R1.167 O=C(O)C1=CC(F)=CC=C1O AK-49710 [1,1,0,0,0,0|1,0,0]=3 825 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br AK-40149 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl AK-33887 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.167 O=C(O)C1=CC(I)=CC=C1F AK-28758 [1,1,0,0,0,0|1,0,0]=3 828 B11R1.167 O=C(O)C1=CC(N)=CC=C1F AK-35670 [1,1,0,0,0,0|1,0,0]=3 829 B11R1.167 O=C(O)C1=CC(O)=CC=C1Br AK-77223 [1,1,0,0,0,0|0,0,0]=2 830 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl AK-35680 [1,1,0,0,0,0|0,0,0]=2 831 B11R1.167 O=C(O)C1=CC(O)=CC=C1F AK-35417 [1,1,0,0,0,0|0,0,0]=2 832 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br AK-92200 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.167 O=C(O)C1=NC(C)=CC=C1O AK123475 [1,1,0,0,0,0|1,0,0]=3 834 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1C AK-47252 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1F AK113170 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1N AK157328 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.167 O=C(O)C1=NC(F)=CC=C1Br AK-89900 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.167 O=C(O)C1=NC(O)=CC=C1C AK-68364 [1,1,0,0,0,0|1,0,0]=3 839 B11R1.167 O=C(O)C1=NC(O)=CC=C1Cl AK101774 [1,1,0,0,0,0|1,0,0]=3 840 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O AK-88387 [1,1,0,0,0,0|1,0,1]=4 841 B11R1.167 O=[N+](C1=CC(C)=CC=C1I)[O-] AK-76997 [1,1,0,0,0,0|1,0,1]=4 842 B11R1.167 OB(C1=CC(C)=CC=C1F)O AK-27198 [1,1,0,0,0,0|1,0,1]=4 843 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 AK-49825 [1,1,0,0,0,0|0,0,0]=2 844 B11R1.167 OC(=O)C1=CC(Br)=NC=C1F AK-53677 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.167 OC1=CC=C(C)C=C1C(O)=O AK-48577 [1,1,0,0,0,0|0,0,0]=2 846 B11R1.167 OC1=CC=C(Cl)C(B(O)O)=C1 AK-93982 [1,1,0,0,0,0|1,0,1]=4 847 B11R1.167 OC1=CC=C(F)C(B(O)O)=C1 AK-93592 [1,1,0,0,0,0|1,0,1]=4 848 B11R1.167 OC1=CC=C(F)C([N+]([O-])=O)=C1 AK-25593 [1,1,0,0,0,0|1,0,1]=4 849 B11R1.9 BrC1=CC(=CC(=C1)C#N)OC AK-36618 [1,1,0,0,0,0|1,0,1]=4 850 B11R1.9 COC1=CC(=CC(F)=C1)C#N AK-35171 [1,1,0,0,0,0|1,0,1]=4 851 B11R1.9 COC1=CC(Cl)=CC(CBr)=C1 AK145650 [1,1,0,0,0,0|1,0,1]=4 852 B11R1.9 COC1=CC(OC)=CC(Br)=C1 AK-44904 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.9 COC1=CC(OC)=CC(F)=C1 AK-79125 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.9 FC1=CC(=CC(=C1)C#N)C=O AK-59883 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.9 FC1=CC(=CC(=C1)C=O)OC AK-36148 [1,1,0,0,0,0|0,0,0]=2 856 B11R1.9 FC1=CC(=CC(=C1)CBr)OC AK-39768 [1,1,0,0,0,0|1,0,1]=4 857 B11R1.9 NC1=CC(OC)=CC(OC)=C1 AK-49129 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.9 O=CC1=CC(Br)=CC(C=O)=C1 AK-40082 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.9 O=CC1=CC(OC)=CC(Cl)=C1 AK-61594 [1,1,0,0,0,0|0,0,0]=2 860 B11R1.9 O=CC1=CC(OC)=CC(O)=C1 AK130818 [1,1,0,0,0,0|0,0,0]=2 861 B11R1.189 CNCC1=CC=CC(OC)=C1 AK-89685 [1,1,0,0,0,0|1,0,1]=4 862 B11R1.189 COC1=CC=CC(CCO)=C1 AK-89566 [1,1,0,0,0,0|0,0,1]=3 863 B11R1.189 N#CCC1=CC=CC(OC)=C1 AK-88692 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.189 O=CC1=NC(COC)=CC=C1 AK110145 [1,1,0,0,0,0|1,0,0]=3 865 B11R1.189 O=CC1=NC=CC(OCC)=C1 AK128674 [1,1,0,0,0,0|1,0,0]=3 866 B11R1.267 C1=CC=C(C(=C1OC)N)OC AK-34475 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.267 COC1=C(I)C(OC)=CC=C1 AK-49475 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.267 COC1=CC=CC(C=O)=C1N AK-24684 [1,1,0,0,0,0|0,0,0]=2 869 B11R1.267 COC1=CC=CC(OC)=C1Br AK-60546 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.267 COC1=CC=CC(OC)=C1Cl AK-80368 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.267 COC1=CC=CC(OC)=C1O AK-96006 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.267 N#CC1=CC=CC(OC)=C1N AK-41429 [1,1,0,0,0,0|1,0,1]=4 873 B11R1.267 O=CC1=CC=CC(C#N)=C1Cl AK-25478 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.267 O=CC1=CC=CC(C=O)=C1Br AK-50134 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.267 O=CC1=CC=CC(OC)=C1Br AK145199 [1,1,0,0,0,0|0,0,0]=2 876 B11R1.267 O=CC1=CC=CC(OC)=C1Cl AK174330 [1,1,0,0,0,0|0,0,0]=2 877 B11R1.267 OC1=C(OC)C=CC=C1C=O AK-45746 [1,1,0,0,0,0|0,0,0]=2 878 B11R1.267 OCC1=CC=CC(OC)=C1N AK137692 [1,1,0,0,0,0|0,0,1]=3 879 B11R1.267 OCC1=NC=CC(OC)=C1C AK135047 [1,1,0,0,0,0|1,0,1]=4 880 B11R1.280 C(#N)C1=C(C=CC(=C1)C=O)F AK-27755 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.280 C1=C(C=CC(=C1OC)O)CN AK-45231 [1,1,0,0,0,0|1,0,1]=4 882 B11R1.280 C1=C(OC)C(=CC=C1C=O)O AK-32997 [1,1,0,0,0,0|0,0,0]=2 883 B11R1.280 C1=CC(=CC(=C1C)OC)C=O AK-25662 [1,1,0,0,0,0|0,0,0]=2 884 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 AK-61817 [1,1,0,0,0,0|0,0,0]=2 885 B11R1.280 COC1=C(C=CC(=C1)OC)O AK-33135 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.280 COC1=C(N)C=CC(CO)=C1 AK-47873 [1,1,0,0,0,0|0,0,1]=3 887 B11R1.280 COC1=CC(CBr)=C(Br)C=C1 AK-79393 [1,1,0,0,0,0|1,0,1]=4 888 B11R1.280 COC1=CC(CBr)=CC=C1Cl AK117533 [1,1,0,0,0,0|1,0,1]=4 889 B11R1.280 COC1=CC=C(Br)C(OC)=C1 AK-53702 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.280 COC1=NC(C=O)=C(Br)C=C1 AK100385 [1,1,0,0,0,0|1,0,0]=3 891 B11R1.280 ClC1=C(C=C(C#N)C=C1)C=O AK-27973 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.280 N#CC1=CC(C=O)=CC=C1Br AK126034 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.280 N#CC1=CC(C=O)=CC=C1C AK309428 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.280 N#CC1=CC(C=O)=CC=C1Cl AK314299 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.280 N#CC1=CC(OC)=CC=C1N AK-34282 [1,1,0,0,0,0|1,0,1]=4 896 B11R1.280 N#CC1=CC=C(Br)C(OC)=C1 AK-32975 [1,1,0,0,0,0|1,0,1]=4 897 B11R1.280 N#CC1=CC=C(F)C(C=O)=C1 AK-28037 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.280 N#CC1=CC=C(N)C(OC)=C1 AK-48952 [1,1,0,0,0,0|1,0,1]=4 899 B11R1.280 NCC1=CC=C(Br)C(OC)=C1 AK145200 [1,1,0,0,0,0|1,0,1]=4 900 B11R1.280 O=CC1=C(Br)C=NC(OC)=C1 AK-62137 [1,1,0,0,0,0|1,0,0]=3 901 B11R1.280 O=CC1=CC(OC)=CC=C1Br AK-28118 [1,1,0,0,0,0|0,0,0]=2 902 B11R1.280 O=CC1=CC(OC)=CC=C1Cl AK114432 [1,1,0,0,0,0|0,0,0]=2 903 B11R1.280 O=CC1=CC(OC)=CC=C1O AK-87163 [1,1,0,0,0,0|0,0,0]=2 904 B11R1.280 O=CC1=CC(SC)=CC=C1O AK601329 [1,1,0,0,0,0|0,1,0]=3 905 B11R1.280 O=CC1=CC=C(Cl)C(OC)=C1 AK-54003 [1,1,0,0,0,0|0,0,0]=2 906 B11R1.280 OC1=CC=C(CC)C=C1OC AK116606 [1,1,0,0,0,0|1,0,1]=4 907 B11R1.280 OC1=CC=C(CO)C=C1OC AK158911 [1,1,0,0,0,0|0,0,1]=3 908 B11R1.280 OCC1=CC(OC)=CC=C1N AK-90754 [1,1,0,0,0,0|0,0,1]=3 909 B11R1.280 OCC1=CC=C(Br)C(OC)=C1 AK-33662 [1,1,0,0,0,0|0,0,1]=3 910 B11R1.280 OCC1=CC=C(Cl)C(OC)=C1 AK136099 [1,1,0,0,0,0|0,0,1]=3 911 B11R1.48 O=C(C1=NN(C)C(OC)=C1)O AK-68373 [0,1,0,0,1,0|2,0,0]=4 912 B11R1.50 O=C(C1=CC(OC)=NN1C)O AK-68285 [0,1,0,0,1,0|2,0,0]=4 913 B11R1.175 O=C(C1=CC=C(C(C)C)N1)O AK465872 [0,1,0,0,1,0|2,0,0]=4 914 B11R1.59 O=C(C1=C(CC)NC=C1)OC AK173442 [0,1,0,0,1,0|2,0,0]=4 915 B11R1.64 O=C(C1=CSC(Br)=C1OC)O AK-33563 [0,1,0,0,1,0|1,0,0]=3 916 B13R1.52 FC1=C(C=C(C=C1)CC(=O)O)OC AK-36387 [0,1,0,0,0,1|0,0,0]=2 917 B13R1.56 CC(NC1=CC(CC)=CC(Br)=C1)=O AK159177 [0,1,0,0,0,1|2,0,0]=4 918 B13R1.80 O=S(CC1=CC=CC(OC)=C1)(N)=O AK152005 [0,1,0,0,0,1|1,0,1]=4 919 B13R1.81 OCC(N)CC1=CC=CC(OC)=C1 AK158854 [0,1,0,0,0,1|1,0,1]=4 920 B13R1.97 O=C(O)CC1=CC(OC)=CN=C1F AK406111 [0,1,0,0,0,1|1,0,0]=3 921 B13R1.587 C1=C(C=CC=C1[N+]([O-])=O)CC(=O)O AK-45424 [0,1,0,0,0,1|2,0,0]=4 922 B13R1.587 O=C(O)C1=CC=CC(CC(O)=O)=C1 AK-78493 [0,1,0,0,0,1|2,0,0]=4 923 B13R1.31 CCOC1=CC(F)=CC(=C1)B(O)O AK-40445 [0,2,0,0,0,0|1,0,1]=4 924 B13R1.126 C1=C(C=C(C)C=C1C(O)=O)C(O)=O AK-73016 [0,2,0,0,0,0|2,0,0]=4 925 B13R1.126 C1=C(C=C(C=C1C(O)=O)O)C(O)=O AK-47313 [0,2,0,0,0,0|2,0,0]=4 926 B13R1.126 O=C(O)C1=CC(Br)=CC(C(O)=O)=C1 AK-32467 [0,2,0,0,0,0|2,0,0]=4 927 B13R1.126 O=C(O)C1=CC(F)=CC(C(O)=O)=C1 AK-82451 [0,2,0,0,0,0|2,0,0]=4 928 B13R1.126 O=C(O)C1=CC([N+]([O-])=O)=CC(Br)=C1 AK-30072 [0,2,0,0,0,0|2,0,0]=4 929 B13R1.126 O=C(O)C1=CC([N+]([O-])=O)=CC(Cl)=C1 AK-82843 [0,2,0,0,0,0|2,0,0]=4 930 B13R1.126 O=C(O)C1=CC([N+]([O-])=O)=CC(F)=C1 AK-33228 [0,2,0,0,0,0|2,0,0]=4 931 B13R1.298 O=C(O)C1=CC(OC)=C(O)C(O)=C1 AK115146 [0,2,0,0,0,0|0,0,0]=2 932 B13R1.299 COC1=CC(Br)=CC(C(O)=O)=C1N AK-80953 [0,2,0,0,0,0|0,0,0]=2 933 B13R1.299 NC1=C([N+]([O-])=O)C=C(Cl)C=C1OC AK340581 [0,2,0,0,0,0|1,0,1]=4 934 B13R1.299 O=[N+](C1=C(C)C(OC)=CC(Br)=C1)[O-] AK119712 [0,2,0,0,0,0|1,0,1]=4 935 B13R1.299 O=[N+](C1=C(C)C(OC)=CC(F)=C1)[O-] AK142449 [0,2,0,0,0,0|1,0,1]=4 936 B13R1.313 C1=C(C=C(C=C1C(=O)O)OC)OC AK-32874 [0,2,0,0,0,0|0,0,0]=2 937 B13R1.313 CC(C1=CC(OC)=CC(OC)=C1)=O AK-86405 [0,2,0,0,0,0|1,0,0]=3 938 B13R1.313 COC1=CC(=CC(=C1)B(O)O)OC AK-33901 [0,2,0,0,0,0|1,0,1]=4 939 B13R1.313 COC1=CC(=CC(OC)=N1)C(O)=O AK-89514 [0,2,0,0,0,0|1,0,0]=3 940 B13R1.313 NCC1=CC([N+]([O-])=O)=CC(OC)=C1 AK144073 [0,2,0,0,0,0|1,0,1]=4 941 B13R1.313 O=C(C1=NC(OC)=CC(OC)=N1)O AK129547 [0,2,0,0,0,0|2,0,0]=4 942 B13R1.313 O=C(C1=NC(OC)=NC(OC)=C1)O AK139319 [0,2,0,0,0,0|2,0,0]=4 943 B13R1.313 O=C(O)C1=CC(CN)=CC(CN)=C1 AK163397 [0,2,0,0,0,0|2,0,0]=4 944 B13R1.314 COC(=O)C1=CC(Br)=CC(=C1)C#N AK-78400 [0,2,0,0,0,0|2,0,0]=4 945 B13R1.314 O=C(OC)C1=CC(C#N)=CC(Cl)=C1 AK145107 [0,2,0,0,0,0|2,0,0]=4 946 B13R1.314 O=C(OC)C1=CC(C#N)=CC(N)=C1 AK167095 [0,2,0,0,0,0|2,0,0]=4 947 B13R1.314 O=C(OC)C1=CC(C)=CC(C#N)=C1 AK162463 [0,2,0,0,0,0|2,0,0]=4 948 B13R1.314 O=C(OC)C1=CC(C)=CC(OC)=C1 AK-47180 [0,2,0,0,0,0|0,0,0]=2 949 B13R1.314 O=C(OC)C1=CC(CBr)=CC(Br)=C1 AK120099 [0,2,0,0,0,0|2,0,0]=4 950 B13R1.314 O=C(OC)C1=CC(CO)=CC(Br)=C1 AK119999 [0,2,0,0,0,0|2,0,0]=4 951 B13R1.314 O=C(OC)C1=CC(OC)=CC(N)=C1 AK116844 [0,2,0,0,0,0|0,0,0]=2 952 B13R1.314 O=C(OC)C1=CC(OC)=CC(O)=C1 AK144614 [0,2,0,0,0,0|0,0,0]=2 953 B13R1.314 O=C(OC)C1=NC(Cl)=CC(OC)=C1 AK-80645 [0,2,0,0,0,0|1,0,0]=3 954 B13R1.13 B(O)(O)C1=CC(=C(C=C1)Cl)C(=O)O AK-36846 [0,2,0,0,0,0|2,0,0]=4 955 B13R1.13 C1=C(C=CC(=C1[N+](=O)[O-])C)C(O)=O AK-36997 [0,2,0,0,0,0|2,0,0]=4 956 B13R1.13 C1=C(C=CC(=C1[N+](=O)[O-])Cl)C(O)=O AK-49096 [0,2,0,0,0,0|2,0,0]=4 957 B13R1.13 C1=C(C=CC(=C1[N+](=O)[O-])O)C(O)=O AK-44029 [0,2,0,0,0,0|2,0,0]=4 958 B13R1.13 C1=C([N+]([O-])=O)C(=CC=C1C(=O)O)N AK-25469 [0,2,0,0,0,0|2,0,0]=4 959 B13R1.13 CC(=O)C1=CC(C(N)=O)=C(O)C=C1 AK-25927 [0,2,0,0,0,0|2,0,0]=4 960 B13R1.13 CC1=C(C=C(C=C1)C(O)=O)B(O)O AK-63362 [0,2,0,0,0,0|2,0,0]=4 961 B13R1.13 ClC1=C(C=C(C=C1)C(=O)O)B(O)O AK-39913 [0,2,0,0,0,0|2,0,0]=4 962 B13R1.13 IC1=C(C=C(C(=O)O)C=C1)[N+](=O)[O-] AK-73096 [0,2,0,0,0,0|2,0,0]=4 963 B13R1.13 O=C(O)C1=CC(B(O)O)=CC=C1F AK-44969 [0,2,0,0,0,0|2,0,0]=4 964 B13R1.13 O=C(O)C1=CC([N+]([O-])=O)=CC=C1C AK-33944 [0,2,0,0,0,0|2,0,0]=4 965 B13R1.13 O=C(O)C1=CC([N+]([O-])=O)=CC=C1F AK-36235 [0,2,0,0,0,0|2,0,0]=4 966 B13R1.13 O=C(O)C1=CC([N+]([O-])=O)=CC=C1N AK-26986 [0,2,0,0,0,0|2,0,0]=4 967 B13R1.13 O=C(O)C1=CC([N+]([O-])=O)=CC=C1O AK-40499 [0,2,0,0,0,0|2,0,0]=4 968 B13R1.13 O=C(O)C1=CC=C(Br)C([N+]([O-])=O)=C1 AK-26210 [0,2,0,0,0,0|2,0,0]=4 969 B13R1.13 O=C(O)C1=CC=C(F)C([N+]([O-])=O)=C1 AK-35229 [0,2,0,0,0,0|2,0,0]=4 970 B13R1.13 O=C(O)C1=CC=C(N)C(C(O)=O)=C1 AK-88278 [0,2,0,0,0,0|2,0,0]=4 971 B13R1.49 C(#N)C1=C(C=CC(=C1)C(=O)OC)F AK-26251 [0,2,0,0,0,0|2,0,0]=4 972 B13R1.49 C1=C(C(OC)=O)C=CC(=C1OC)N AK-24247 [0,2,0,0,0,0|0,0,0]=2 973 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 AK-46437 [0,2,0,0,0,0|1,0,0]=3 974 B13R1.49 COC(=O)C1=CC(C#N)=C(O)C=C1 AK-64379 [0,2,0,0,0,0|2,0,0]=4 975 B13R1.49 COC(=O)C1=CC(OC)=C(Cl)N=C1 AK-43266 [0,2,0,0,0,0|1,0,0]=3 976 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 AK-45552 [0,2,0,0,0,0|0,0,0]=2 977 B13R1.49 COC1=CC(C(CBr)=O)=CC=C1F AK128406 [0,2,0,0,0,0|1,0,0]=3 978 B13R1.49 O=C(OC)C1=CC=C(Br)C(OC)=C1 AK-39896 [0,2,0,0,0,0|0,0,0]=2 979 B13R1.49 O=C(OC)C1=CC=C(C)C(C#N)=C1 AK136726 [0,2,0,0,0,0|2,0,0]=4 980 B13R1.49 O=C(OC)C1=CC=C(N)C(C#N)=C1 AK149953 [0,2,0,0,0,0|2,0,0]=4 981 B13R1.49 O=C(OC)C1=NC(OC)=C(Br)C=C1 AK100459 [0,2,0,0,0,0|1,0,0]=3 982 B13R1.49 O=C(OC)C1=NC=C(Br)C(OC)=C1 AK141802 [0,2,0,0,0,0|1,0,0]=3 983 B13R1.50 NC1=CC=C(S(=O)(C)=O)C=C1OC AK110091 [0,2,0,0,0,0|1,0,1]=4 984 B13R1.354 CCOC1=C(F)C=CC(=C1)B(O)O AK-40457 [0,2,0,0,0,0|1,0,1]=4 985 B13R1.354 CCOC1=C(F)C=CC(=C1)[N+]([O-])=O AK-80786 [0,2,0,0,0,0|1,0,1]=4 986 B13R1.354 CCOC1=CC(B(O)O)=CC=C1Cl AK-93967 [0,2,0,0,0,0|1,0,1]=4 987 B13R1.354 O=C(O)C1=CC=C(F)C(CCC)=C1 AK-86680 [0,2,0,0,0,0|1,0,0]=3 988 B13R1.354 O=[N+](C1=CC=C(Br)C(OCC)=C1)[O-] AK-21834 [0,2,0,0,0,0|1,0,1]=4 989 B13R1.354 O=[N+](C1=CC=C(Cl)C(COC)=C1)[O-] AK486939 [0,2,0,0,0,0|1,0,1]=4 990 B13R1.651 COC1=C(Cl)C=C(F)C(=C1)[N+]([O-])=O AK-26359 [0,2,0,0,0,0|1,0,1]=4 991 B13R1.651 NC1=CC(C)=C(OC)C=C1[N+]([O-])=O AK-94371 [0,2,0,0,0,0|1,0,1]=4 992 B13R1.651 NC1=CC(F)=C([N+]([O-])=O)C=C1OC AK167199 [0,2,0,0,0,0|1,0,1]=4 993 B13R1.651 O=C(O)C1=CC(OC)=C(N)C=C1F AK-37456 [0,2,0,0,0,0|0,0,0]=2 994 B13R1.651 O=[N+](C1=C(C)C=C(Cl)C(OC)=C1)[O-] AK110403 [0,2,0,0,0,0|1,0,1]=4 995 B13R1.651 O=[N+](C1=CC(OC)=C(F)C=C1Br)[O-] AK-84817 [0,2,0,0,0,0|1,0,1]=4 996 B13R1.3091 CC(C1=CC=C(OC)C(OC)=C1)=O AK-45918 [0,2,0,0,0,0|1,0,0]=3 997 B13R1.3091 COC1=C(C=CC(=C1)B(O)O)C#N AK-61903 [0,2,0,0,0,0|1,0,1]=4 998 B13R1.3091 O=C(O)C1=CC=C(OC)C(OC)=C1 AK-45550 [0,2,0,0,0,0|0,0,0]=2 999 B13R1.3091 O=[N+](C1=CC=C(C#C)C(OC)=C1)[O-] AK-69974 [0,2,0,0,0,0|1,0,1]=4 1000 B13R1.3091 OB(C1=CC=C(OC)C(OC)=C1)O AK-41187 [0,2,0,0,0,0|1,0,1]=4 1001 B13R1.3230 COC1=C(Cl)C(B(O)O)=CC=C1F AK142729 [0,2,0,0,0,0|1,0,1]=4 1002 B13R1.3230 O=C(O)C1=CC=C(F)C(OC)=C1N AK-47797 [0,2,0,0,0,0|0,0,0]=2 1003 B13R1.345 CC(C)(C)C1=CC(=CC=N1)C(O)=O AK-68514 [0,2,0,0,0,0|2,0,0]=4 1004 B13R1.345 CC(C1=CC=CC(C(C)(C)C)=C1)=O AK-94343 [0,2,0,0,0,0|2,0,0]=4 1005 B13R1.345 O=C(O)C1=CC=CC(C(C)(C)C)=C1 AK154521 [0,2,0,0,0,0|1,0,0]=3 1006 B13R1.345 O=C(O)C1=CC=CC(C(F)(F)F)=C1 AK-41809 [0,2,0,0,0,0|2,0,0]=4 1007 B13R1.345 O=C(O)C1=CC=CC(S(=O)(C)=O)=C1 AK-24706 [0,2,0,0,0,0|0,1,0]=3 1008 B13R1.345 O=C(O)C1=CC=CC(S(=O)(N)=O)=C1 AK-31927 [0,2,0,0,0,0|1,1,0]=4 1009 B13R1.345 O=C(O)C1=NC=CC(C(C)(C)C)=C1 AK174103 [0,2,0,0,0,0|2,0,0]=4 1010 B13R1.543 C(C)(=O)C1=NC=CC(=C1)C(=O)OC AK110528 [0,2,0,0,0,0|2,0,0]=4 1011 B13R1.543 C(C1=CC(=CC=C1)C(=O)O)(=O)OC AK-46756 [0,2,0,0,0,0|0,0,0]=2 1012 B13R1.543 C1=C(C=CC=C1C(OC)=O)B(O)O AK-37020 [0,2,0,0,0,0|1,0,1]=4 1013 B13R1.543 COC(=O)C1=CC(=CC=N1)C(O)=O AK110053 [0,2,0,0,0,0|1,0,0]=3 1014 B13R1.543 COC(=O)C1=CC(=NC=C1)C(O)=O AK-87583 [0,2,0,0,0,0|1,0,0]=3 1015 B13R1.543 COC(=O)C1=NC(=CC=C1)C(=O)O AK-45415 [0,2,0,0,0,0|1,0,0]=3 1016 B13R1.543 O=C(O)C1=CC=CC(C(C#N)C)=C1 AK-32228 [0,2,0,0,0,0|1,0,0]=3 1017 B13R1.543 O=C(OC)C1=CC=CC(C(C)=O)=C1 AK-83248 [0,2,0,0,0,0|1,0,0]=3 1018 B13R1.543 O=C(OC)C1=CC=CC([C@@H](N)C)=C1 AK340718 [0,2,0,0,0,0|1,0,0]=3 1019 B13R1.543 O=C(OC)C1=CC=CC([C@H](N)C)=C1 AK340792 [0,2,0,0,0,0|1,0,0]=3 1020 B13R1.543 O=C(OC)C1=NC=CC(C(C)=O)=C1 AK145099 [0,2,0,0,0,0|2,0,0]=4 1021 B13R1.3801 C1=C(C(=C([N+](=O)[O-])C=C1)Cl)C(O)=O AK-25912 [0,2,0,0,0,0|2,0,0]=4 1022 B13R1.3801 CC1=C(C=CC=C1N(=O)=O)C(O)=O AK-45774 [0,2,0,0,0,0|2,0,0]=4 1023 B13R1.3801 FC1=C(C(=O)O)C=CC=C1[N+](=O)[O-] AK-25758 [0,2,0,0,0,0|2,0,0]=4 1024 B13R1.3801 O=C(O)C1=CC=CC(C(O)=O)=C1N AK-32195 [0,2,0,0,0,0|2,0,0]=4 1025 B13R1.3801 O=C(O)C1=CC=CC([N+]([O-])=O)=C1I AK-67608 [0,2,0,0,0,0|2,0,0]=4 1026 B13R1.3801 O=C(O)C1=CC=CC([N+]([O-])=O)=C1N AK-30519 [0,2,0,0,0,0|2,0,0]=4 1027 B13R1.374 COC(=O)C1=CC(CC#N)=CC=C1 AK-46078 [0,2,0,0,0,0|1,0,1]=4 1028 B13R1.374 COCC1=CC([C@H](N)CO)=CC=C1 AK608051 [0,2,0,0,0,0|1,0,1]=4 1029 B13R1.374 O=C(OC)C1=CC=CC(CNC)=C1 AK157616 [0,2,0,0,0,0|1,0,0]=3 1030 B13R1.568 CCCOC1=CC=CC(=C1)B(O)O AK-45598 [0,2,0,0,0,0|1,0,1]=4 1031 B13R1.568 OB(C1=CC=CC(OCC=C)=C1)O AK197491 [0,2,0,0,0,0|1,0,1]=4 1032 B13R1.82 COC(=O)C1=C(N)C(OC)=CC=C1 AK-47083 [0,2,0,0,0,0|0,0,0]=2 1033 B13R1.82 O=C(OC)C1=CC=CC(OC)=C1F AK105558 [0,2,0,0,0,0|0,0,0]=2 1034 B13R1.82 O=C(OC)C1=CC=CC(OC)=C1O AK-86480 [0,2,0,0,0,0|0,0,0]=2 1035 B13R1.460 O=C(OCC)C1=CC=CC(NN)=C1 AK158144 [0,2,0,0,0,0|2,0,0]=4 1036 B13R1.460 O=C(OCC)C1=CC=NC(OC)=C1 AK-84825 [0,2,0,0,0,0|1,0,0]=3 1037 B13R1.460 OCCC(N)C1=CC=CC(OC)=C1 AK158829 [0,2,0,0,0,0|1,0,1]=4 1038 B13R1.2431 COC(=O)C1=C(Br)C=CC(=C1)C#N AK-27974 [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.2431 COC(=O)C1=C(Cl)C=CC(CN)=C1 AK-50450 [0,2,0,0,0,0|2,0,0]=4 1040 B13R1.2431 COC(=O)C1=C(N)C=CC(=C1)C#N AK-32311 [0,2,0,0,0,0|2,0,0]=4 1041 B13R1.2431 NC1=C(C(=O)OC)C=C(C=C1)OC AK-28111 [0,2,0,0,0,0|0,0,0]=2 1042 B13R1.2431 O=C(OC)C1=C(Br)C=NC(OC)=C1 AK104824 [0,2,0,0,0,0|1,0,0]=3 1043 B13R1.2137 C1=CC=C(C(=C1OC)OC)C(O)=O AK-47287 [0,2,0,0,0,0|0,0,0]=2 1044 B13R1.2137 CC(C1=CC=CC(OC)=C1OC)=O AK-48208 [0,2,0,0,0,0|1,0,0]=3 1045 B13R1.2137 COC1=C(C=O)C(B(O)O)=CC=C1 AK167830 [0,2,0,0,0,0|1,0,1]=4 1046 B13R1.2137 O=C(O)C1=CC=CC(OC)=C1CC AK-46131 [0,2,0,0,0,0|0,0,0]=2 1047 B13R1.2137 O=C(O)C1=NC=CC(OC)=C1OC AK683631 [0,2,0,0,0,0|1,0,0]=3 1048 B13R1.2137 OB(C1=CC=CC(OC)=C1OC)O AK-45221 [0,2,0,0,0,0|1,0,1]=4 1049 B13R1.3097 COC1=C(Br)C(B(O)O)=C(Cl)C=C1 AK-62173 [0,2,0,0,0,0|1,0,1]=4 1050 B13R1.3097 COC1=C(Cl)C(B(O)O)=C(Br)C=C1 AK-62170 [0,2,0,0,0,0|1,0,1]=4 1051 B13R1.3097 COC1=CC=C(Cl)C(B(O)O)=C1F AK-84147 [0,2,0,0,0,0|1,0,1]=4 1052 B13R1.3097 COC1=CC=C(Cl)C(C(O)=O)=C1Cl AK109846 [0,2,0,0,0,0|0,0,0]=2 1053 B13R1.3097 O=C(O)C1=C(F)C=CC(OC)=C1F AK136431 [0,2,0,0,0,0|0,0,0]=2 1054 B13R1.3097 O=[N+](C1=C(Br)C(OC)=CC=C1C)[O-] AK-93187 [0,2,0,0,0,0|1,0,1]=4 1055 B13R1.3097 OB(C1=C(F)C=CC(OC)=C1Cl)O AK-40493 [0,2,0,0,0,0|1,0,1]=4 1056 B13R1.3097 OB(C1=C(F)C=CC(OC)=C1F)O AK-45581 [0,2,0,0,0,0|1,0,1]=4 1057 B13R1.2430 C1=C(OC)C=CC(=C1C(O)=O)OC AK-25699 [0,2,0,0,0,0|0,0,0]=2 1058 B13R1.2430 COC1=CC(=C(C=C1)NC)[N+](=O)[O-] AK-16610 [0,2,0,0,0,0|1,0,1]=4 1059 B13R1.2430 COC1=CC(=C(C=O)C=C1)[N+](=O)[O-] AK-24233 [0,2,0,0,0,0|1,0,1]=4 1060 B13R1.2430 COC1=CC(B(O)O)=C(OC)C=C1 AK-32791 [0,2,0,0,0,0|1,0,1]=4 1061 B13R1.2430 COC1=CC(C(C)=O)=C(OC)C=C1 AK-79422 [0,2,0,0,0,0|1,0,0]=3 1062 B13R1.2430 O=C(O)C1=CC(OC)=CC=C1C#N AK-33780 [0,2,0,0,0,0|0,0,0]=2 1063 B13R1.2430 O=[N+](C1=CC(OC)=CC=C1CBr)[O-] AK-81935 [0,2,0,0,0,0|1,0,1]=4 1064 B11R1.37 O=CC1=CC(O)=CC=C1OC AK108464 [0,0,1,1,0,0|2,0,0]=4 1065 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,0,1,1,0,0|1,0,1]=4 1066 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [0,0,1,1,0,0|2,0,0]=4 1067 B11R2.190 C=CC1=CC=C2CCC2=C1 AK113807 [1,0,0,1,0,0|2,0,0]=4 1068 B11R2.190 O=CC1=CC=C2CCC2=C1 AK160835 [1,0,0,1,0,0|1,0,0]=3 1069 B13R2.581 O=C1SC2=CC=CC(OC)=C2N1 AK-45407 [0,0,0,1,0,1|1,0,0]=3 1070 B13R2.2121 BrC1=NC2=C(S1)C=C(C=C2)OC AK-23615 [0,0,0,1,0,1|2,0,0]=4 1071 B13R2.2121 C1=CC(=CC2=C1N=C(N)S2)OC AK-26975 [0,0,0,1,0,1|2,0,0]=4 1072 B13R2.2121 CC=1NC2=C(C1)C=C(C=C2)OC AK-32805 [0,0,0,1,0,1|2,0,0]=4 1073 B13R2.2121 COC1=CC2=C(NC(N)=N2)C=C1 AK-35886 [0,0,0,1,0,1|2,0,0]=4 1074 B13R2.2121 COC1=CC2=C(NC(S)=N2)C=C1 AK101104 [0,0,0,1,0,1|1,1,0]=4 1075 B13R2.2121 COC1=CC2=C(NC(S2)=O)C=C1 AK-24360 [0,0,0,1,0,1|1,0,0]=3 1076 B13R2.2121 COC1=CC2=C(SC(S)=N2)C=C1 AK-35637 [0,0,0,1,0,1|0,2,0]=4 1077 B13R2.2121 COC1=CC=C2N=C(Cl)SC2=C1 AK-23628 [0,0,0,1,0,1|2,0,0]=4 1078 B13R2.2121 COC1=CC=C2NC(CC2=C1)=O AK-36343 [0,0,0,1,0,1|1,0,0]=3 1079 B13R2.2121 O=C1CC2=NC(OC)=CC=C2N1 AK139844 [0,0,0,1,0,1|2,0,0]=4 1080 B13R2.2121 S=C1SC2=CC(OC)=CC=C2N1 AK110513 [0,0,0,1,0,1|1,1,0]=4 1081 B13R2.430 O=C(C1=CC2=C(C=C1)C=CN2)O AK-25192 [0,1,0,1,0,0|1,0,1]=4 1082 B13R2.430 O=C(C1=CC2=C(C=C1)C=NN2)O AK-29449 [0,1,0,1,0,0|1,0,1]=4 1083 B13R2.430 O=C(C1=CC2=C(NC=C2)C=C1)O AK-28856 [0,1,0,1,0,0|1,0,1]=4 1084 B13R2.430 O=C(C1=CC2=C(NCC2)C=C1)O AK-44285 [0,1,0,1,0,0|1,0,0]=3 1085 B13R2.430 O=C(C1=CC2=C(NN=C2)C=C1)O AK-26188 [0,1,0,1,0,0|2,0,0]=4 1086 B13R2.430 O=C(C1=CC=C2N=COC2=C1)O AK-72789 [0,1,0,1,0,0|0,0,1]=3 1087 B13R2.430 O=C(C1=CC=C2NC=NC2=C1)O AK-27294 [0,1,0,1,0,0|1,0,1]=4 1088 B13R2.430 O=C(C1=CC=C2OCCC2=C1)N AK143641 [0,1,0,1,0,0|2,0,0]=4 1089 B13R2.430 O=C(C1=CC=C2OCOC2=C1)O AK-79145 [0,1,0,1,0,0|0,0,0]=2 1090 B13R2.430 O=C(C1=CC=C2SC=NC2=C1)O AK-28116 [0,1,0,1,0,0|1,0,1]=4 1091 B13R2.430 OB(C1=CC=C2CCOC2=C1)O AK143637 [0,1,0,1,0,0|1,0,1]=4 1092 B13R2.430 OB(C1=CC=C2OCOC2=C1)O AK-36961 [0,1,0,1,0,0|1,0,1]=4 1093 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 AK-29522 [0,1,0,1,0,0|0,0,1]=3 1094 B13R2.430 OC(=O)C1=CC2=C(OC=C2)C=C1 AK-29581 [0,1,0,1,0,0|1,0,1]=4 1095 B13R2.430 OC(=O)C1=CC2=C(OC=N2)C=C1 AK-82316 [0,1,0,1,0,0|1,0,1]=4 1096 B13R2.429 CC(C1=CC=CC(C2CC2)=C1)=O AK129375 [0,1,0,1,0,0|2,0,0]=4 1097 B13R2.5569 CC(C1=C2OCCC2=CC=C1)=O AK-33660 [0,1,0,1,0,0|2,0,0]=4 1098 B13R2.5569 O=C(C1=C2OCCC2=CC=C1)O AK-29214 [0,1,0,1,0,0|1,0,0]=3 1099 B13R2.5569 O=C(C1=C2OCOC2=CC=C1)O AK-38428 [0,1,0,1,0,0|0,0,0]=2 1100 B13R2.5569 O=C(C1=CC=CC2=C1C=NN2)O AK-30123 [0,1,0,1,0,0|1,0,1]=4 1101 B13R2.5569 O=C(C1=CC=CC2=NSC=C21)O AK155535 [0,1,0,1,0,0|0,1,1]=4 1102 B13R2.5569 OB(C1=C2OCOC2=CC=C1)O AK-64421 [0,1,0,1,0,0|1,0,1]=4 1103 B13R2.5569 OC(=O)C1=CC=CC2=C1C=CS2 AK-65237 [0,1,0,1,0,0|0,1,1]=4 1104 B13R2.5569 OC(=O)C1=CC=CC2=C1N=CO2 AK100257 [0,1,0,1,0,0|0,0,1]=3 1105 B13R2.5569 OC(=O)C1=CC=CC2=C1OC=C2 AK-28291 [0,1,0,1,0,0|1,0,1]=4 1106 B13R2.5569 S1C2=C(N=C1)C=CC=C2C(=O)O AK-31619 [0,1,0,1,0,0|1,0,1]=4 1107 B13R2.5569 [NH]1C2=C(N=C1)C=CC=C2C(=O)O AK-24447 [0,1,0,1,0,0|1,0,1]=4 1108 B13R2.573 COC1=C2NN=C(I)C2=CC=C1 AK-68505 [0,1,0,1,0,0|2,0,0]=4 1109 B13R2.573 O=C1CCC2=C1C=CC=C2OC AK-39871 [0,1,0,1,0,0|1,0,0]=3 1110 B13R2.573 O=C1NCC2=C1C=CC=C2OC AK-51124 [0,1,0,1,0,0|1,0,0]=3 1111 B13R2.669 C1=C(OC)C=CC2=C1C(CC2)=O AK-28784 [0,1,0,1,0,0|1,0,0]=3 1112 B13R2.669 O=C1CCC2=C1C=C(CC)C=C2 AK548512 [0,1,0,1,0,0|2,0,0]=4 1113 B13R2.669 O=C1COC2=CC=C(OC)C=C12 AK-44662 [0,1,0,1,0,0|0,0,0]=2 1114 B13R2.669 O=C1NCC2=C1C=C(OC)C=C2 AK-51123 [0,1,0,1,0,0|1,0,0]=3 1115 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [1,0,0,0,1,0|2,0,0]=4 1116 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [1,0,0,0,1,0|2,0,0]=4 1117 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [1,0,0,0,1,0|2,0,0]=4 1118 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [1,0,0,0,1,0|1,0,0]=3 1119 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [1,0,0,0,1,0|2,0,0]=4 1120 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [1,0,0,0,1,0|2,0,0]=4 1121 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [1,0,0,0,1,0|2,0,0]=4 1122 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [1,0,0,0,1,0|2,0,0]=4 1123 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [1,0,0,0,1,0|1,0,0]=3 1124 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [1,0,0,0,1,0|2,0,0]=4 1125 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [1,0,0,0,1,0|1,0,0]=3 1126 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [1,0,0,0,1,0|2,0,0]=4 1127 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [1,0,0,0,1,0|2,0,0]=4 1128 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [1,0,0,0,1,0|2,0,0]=4 1129 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [1,0,0,0,1,0|2,0,0]=4 1130 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [1,0,0,0,1,0|2,0,0]=4 1131 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [1,0,0,0,1,0|1,0,0]=3 1132 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [1,0,0,0,1,0|2,0,0]=4 1133 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [1,0,0,0,1,0|2,0,0]=4 1134 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [1,0,0,0,1,0|2,0,0]=4 1135 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [1,0,0,0,1,0|2,0,0]=4 1136 B9R1.35 O=C(C1=CN(C)N=C1)O AK-39751 [1,0,0,0,1,0|2,0,0]=4 1137 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [1,0,0,0,1,0|2,0,0]=4 1138 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [1,0,0,0,1,0|1,0,0]=3 1139 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [1,0,0,0,1,0|2,0,0]=4 1140 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [1,0,0,0,1,0|2,0,0]=4 1141 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [1,0,0,0,1,0|2,0,0]=4 1142 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [1,0,0,0,1,0|2,0,0]=4 1143 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [1,0,0,0,1,0|2,0,0]=4 1144 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [1,0,0,0,1,0|2,0,0]=4 1145 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [1,0,0,0,1,0|2,0,0]=4 1146 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [1,0,0,0,1,0|2,0,0]=4 1147 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [1,0,0,0,1,0|2,0,0]=4 1148 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [1,0,0,0,1,0|2,0,0]=4 1149 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [1,0,0,0,1,0|2,0,0]=4 1150 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [1,0,0,0,1,0|2,0,0]=4 1151 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [1,0,0,0,1,0|1,0,0]=3 1152 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [1,0,0,0,1,0|1,0,0]=3 1153 B9R1.41 CC1=NOC=C1C(=O)O AK-33667 [1,0,0,0,1,0|2,0,0]=4 1154 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [1,0,0,0,1,0|2,0,0]=4 1155 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [1,0,0,0,1,0|2,0,0]=4 1156 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [1,0,0,0,1,0|2,0,0]=4 1157 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [1,0,0,0,1,0|2,0,0]=4 1158 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [1,0,0,0,1,0|1,0,0]=3 1159 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [1,0,0,0,1,0|1,0,0]=3 1160 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [1,0,0,0,1,0|2,0,0]=4 1161 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [1,0,0,0,1,0|2,0,0]=4 1162 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [1,0,0,0,1,0|2,0,0]=4 1163 B9R1.41 O=C(C1=C(C)ON=C1)O AK-32464 [1,0,0,0,1,0|2,0,0]=4 1164 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [1,0,0,0,1,0|1,0,0]=3 1165 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [1,0,0,0,1,0|2,0,0]=4 1166 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [1,0,0,0,1,0|2,0,0]=4 1167 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [1,0,0,0,1,0|2,0,0]=4 1168 B9R1.41 O=C(C1=CN=CN1C)O AK-35106 [1,0,0,0,1,0|2,0,0]=4 1169 B9R1.41 O=C(C1=CNN=C1C)O AK-39586 [1,0,0,0,1,0|2,0,0]=4 1170 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [1,0,0,0,1,0|1,0,0]=3 1171 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [1,0,0,0,1,0|2,0,0]=4 1172 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [1,0,0,0,1,0|2,0,0]=4 1173 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [1,0,0,0,1,0|2,0,0]=4 1174 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [1,0,0,0,1,0|2,0,0]=4 1175 B9R1.14 O=CC1=C(OC)C=CO1 AK320838 [1,0,0,0,1,0|1,0,0]=3 1176 B9R1.21 COC1=NC=C(S1)C=O AK-27989 [1,0,0,0,1,0|2,0,0]=4 1177 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [1,0,0,0,1,0|1,1,0]=4 1178 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [1,0,0,0,0,1|1,0,0]=3 1179 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [1,0,0,0,0,1|1,0,0]=3 1180 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [1,0,0,0,0,1|0,0,0]=2 1181 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [1,0,0,0,0,1|2,0,0]=4 1182 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [1,0,0,0,0,1|2,0,0]=4 1183 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [1,0,0,0,0,1|2,0,0]=4 1184 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [1,0,0,0,0,1|1,0,0]=3 1185 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [1,0,0,0,0,1|2,0,0]=4 1186 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [1,0,0,0,0,1|2,0,0]=4 1187 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [1,0,0,0,0,1|2,0,0]=4 1188 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [1,0,0,0,0,1|2,0,0]=4 1189 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 AK113021 [1,0,0,0,0,1|2,0,0]=4 1190 B11R1.157 O=C(O)CC1=CC(N)=NC=C1 AK548242 [1,0,0,0,0,1|2,0,0]=4 1191 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [1,0,0,0,0,1|1,0,0]=3 1192 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [1,0,0,0,0,1|1,0,0]=3 1193 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [1,0,0,0,0,1|2,0,0]=4 1194 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [1,0,0,0,0,1|2,0,0]=4 1195 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [1,0,0,0,0,1|1,0,0]=3 1196 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [1,0,0,0,0,1|2,0,0]=4 1197 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [1,0,0,0,0,1|1,0,1]=4 1198 B11R1.3 C(#C)C1=CC=C(C(=O)O)C=C1 AK-44236 [0,0,0,0,1,1|1,0,1]=4 1199 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [0,0,0,0,1,1|2,0,0]=4 1200 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [0,0,0,0,1,1|2,0,0]=4 1201 B11R1.3 C1=C(C=CC(=C1)OC)B(O)O AK-39804 [0,0,0,0,1,1|1,0,1]=4 1202 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [0,0,0,0,1,1|2,0,0]=4 1203 B11R1.3 C1=CC(=NC=C1C(=O)O)NN AK-33131 [0,0,0,0,1,1|2,0,0]=4 1204 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [0,0,0,0,1,1|2,0,0]=4 1205 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [0,0,0,0,1,1|1,0,0]=3 1206 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [0,0,0,0,1,1|1,1,0]=4 1207 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [0,0,0,0,1,1|1,0,0]=3 1208 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [0,0,0,0,1,1|1,0,1]=4 1209 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [0,0,0,0,1,1|1,0,1]=4 1210 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [0,0,0,0,1,1|0,0,0]=2 1211 B11R1.3 COC1=CN=C(C=N1)C(=O)O AK-25141 [0,0,0,0,1,1|1,0,0]=3 1212 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [0,0,0,0,1,1|2,0,0]=4 1213 B11R1.3 N=C(N)C1=CN=C(OC)C=C1 AK-76650 [0,0,0,0,1,1|2,0,0]=4 1214 B11R1.3 O=C(C1=CN=C(NC)N=C1)O AK115951 [0,0,0,0,1,1|2,0,0]=4 1215 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [0,0,0,0,1,1|0,0,0]=2 1216 B11R1.3 O=C(C1=CN=C(SC)N=C1)O AK-26821 [0,0,0,0,1,1|1,1,0]=4 1217 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [0,0,0,0,1,1|1,0,0]=3 1218 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [0,0,0,0,1,1|1,0,1]=4 1219 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [0,0,0,0,1,1|1,0,0]=3 1220 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [0,0,0,0,1,1|2,0,0]=4 1221 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [0,0,0,0,1,1|2,0,0]=4 1222 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [0,0,0,0,1,1|0,0,0]=2 1223 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [0,0,0,0,1,1|2,0,0]=4 1224 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [0,0,0,0,1,1|2,0,0]=4 1225 B11R1.3 OB(C1=CN=C(OC)C=C1)O AK-25476 [0,0,0,0,1,1|1,0,1]=4 1226 B11R1.3 S=C(C1=CC=C(OC)N=C1)N AK-45169 [0,0,0,0,1,1|1,1,0]=4 1227 B13R1.643 COC1=CC=CC(CCC(O)=O)=C1 AK-32748 [0,0,0,0,0,2|0,0,0]=2 1228 B13R1.643 O=C(O)CCC1=CC=CC(C#N)=C1 AK-46076 [0,0,0,0,0,2|2,0,0]=4