0 B11R1.53 C1=CC=CC(=C1C#N)C(C)=O AK-50565 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O AK-44122 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.53 CC(C1=CC=CC=C1NC)=O AK135397 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.53 CCC1=C(N=CC=N1)C(C)=O AK-89658 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.53 CCC1=NC=CC=C1C(O)=O AK111206 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.53 COC1=C(C=CN=C1)C(C)=O AK-99909 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.53 COC1=C(N=CC=N1)C(O)=O AK102764 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.53 COC1=CC=CN=C1C(=O)O AK-63990 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.53 COC1=CC=CN=C1C(C)=O AK-80679 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] AK-47507 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.53 COC1=NC=CC=C1C(C)=O AK110016 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.53 COC1=NC=CN=C1C(C)C AK116762 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.53 O=C(O)C1=C(OC)N=CC=C1 AK-45121 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.53 O=C(O)C1=CC=CC=C1CC AK-77452 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.53 O=C(O)C1=CC=CC=C1CO AK-35845 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.53 O=C(O)C1=CC=CC=C1OC AK-77451 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.53 O=C(O)C1=CN=CC=C1CC AK452545 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.53 O=[N+](C1=CC=CN=C1OC)[O-] AK-29926 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.20 CCC1=C(OC)N=CC=N1 AK-61723 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.20 CNC1=NC=CC=C1CO AK-34687 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.20 COC1=CC=CN=C1OC AK-43966 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.20 COC1=NC=CC=C1CBr AK-99893 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.20 COC1=NC=CC=C1CN AK133079 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.20 ClCC1=NC=CN=C1CCl AK120649 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.20 NCC1=CC=CN=C1OC AK-49721 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.20 NCC1=NC=CC=C1OC AK142747 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.20 O=CC1=C(NC)N=CC=C1 AK106308 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.20 O=CC1=C(OC)N=CC=C1 AK-36180 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.20 O=CC1=CC=CC=C1CC AK-51264 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.20 O=CC1=CC=CC=C1NC AK120939 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.20 O=CC1=CC=CC=C1OC AK116922 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.20 OCC1=CC=CN=C1OC AK-46985 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.20 OCC1=NC=CC=C1OC AK-35452 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.61 BrC1=CC=CN=C1C(=O)O AK-25745 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.61 BrC1=NC=CN=C1C(=O)O AK-30736 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.61 C1=C(C(=NC=C1)Cl)C(N)=O AK-39181 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.61 C1=C(C(=NC=C1)Cl)C(O)=O AK-27015 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.61 C1=C(C(=NC=C1)F)C(O)=O AK-25163 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.61 C1=CC=NC(=C1C)C(O)=O AK-26613 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.61 C1=CN=C(C(=C1)C(=O)N)F AK-25200 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.61 C1=CN=C(C(=N1)C(O)=O)N AK-16902 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 AK-31153 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.61 CC(=O)C1=C(C)N=CC=N1 AK-89662 [1,0,0,0,0,0|0,0,0]=1 46 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.61 CC(=O)C1=CC=CN=C1F AK-36408 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.61 CC(=O)C1=CC=CN=C1N AK-61895 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.61 CC(N)C1=NC=CC=C1C AK670791 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.61 CC1=C(C(=O)N)C=CC=N1 AK-39636 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.61 CC1=C(C(=O)O)C=CC=N1 AK-25768 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.61 CC1=C(C=NC=N1)C(O)=O AK-32530 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.61 CC1=NC=CC=C1N(=O)=O AK-26710 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.61 CC1=NC=CN=C1C(=O)O AK-25946 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.61 CN(C)C1=NC=CN=C1Cl AK124994 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.61 ClC1=CC=CN=C1C(=O)O AK-23699 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.61 ClC1=NC=CN=C1C(=O)O AK-24100 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.61 FC1=C(N=CC=C1)C(=O)O AK-28801 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.61 N=C(N)C1=NC=CC=C1C AK130359 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.61 NC1=NC=CN=C1N(C)C AK-23941 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.61 O=C(C1=NC=CC=C1N)O AK-25432 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.61 O=C(C1=NC=CN=C1Cl)N AK-80835 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.61 O=C(C1=NC=CN=C1I)O AK-30598 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.61 O=C(C1=NC=CN=C1O)N AK-39215 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.61 O=C(C1=NC=CNC1=O)O AK-30536 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.61 O=C(C1=NC=NC=C1C)O AK140920 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.61 O=C(N)C1=NC=CC=C1C AK-48603 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.61 O=C(N)C1=NC=CC=C1N AK-35369 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.61 O=C(O)C1=C(N)N=CC=C1 AK-26982 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.61 O=C(O)C1=C(S)N=CC=C1 AK-48961 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.61 O=C(O)C1=NC=CC=C1I AK-29488 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.61 O=C(O)C1=NC=CC=C1O AK-26380 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.61 O=[N+](C1=CC=CN=C1C)[O-] AK-23642 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.61 O=[N+](C1=NC=CN=C1Cl)[O-] AK-27354 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.61 OC(=O)C1=CC=CN=C1Br AK-25846 [1,0,0,0,0,0|3,0,0]=4 85 B12R1.46 BrC1=CC(=C(N=C1)OC)C(=O)O AK-27745 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.46 CC(C1=CC(Br)=CC=C1OC)=O AK-40233 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.46 CC(C1=CC(F)=CC=C1OC)=O AK126688 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.46 O=C(O)C1=C(OC)N=CC(Cl)=C1 AK-81689 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.46 O=C(O)C1=C(OC)N=CC(F)=C1 AK-36696 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.57 CC(C1=CC=C(Br)C=C1OC)=O AK104826 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.57 COC1=C(C=CC(Cl)=N1)C(O)=O AK-67843 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.57 COC1=C(C=CC(N)=C1)C(C)=O AK-86813 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.57 O=C(O)C1=C(OC)N=C(Br)C=C1 AK121840 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.57 O=C(O)C1=C(OC)N=C(N)C=C1 AK550297 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.77 C1=CC=CC(=C1C(OC)=O)CBr AK-34305 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.77 CCC(C)C1=C(OC)N=CC=N1 AK-89666 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.77 COC1=CC=CC=C1C(CBr)=O AK114423 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.77 COC1=CC=CC=C1C(CN)=O AK141727 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.77 COC1=CC=CN=C1C(=O)OC AK-29044 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.77 O=C(OC)C1=C(C#N)N=CC=C1 AK-83585 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.77 O=C(OC)C1=C(CBr)N=CC=C1 AK128701 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.77 O=C(OC)C1=C(CN)N=CC=C1 AK173154 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.77 O=C(OC)C1=C(OC)N=CC=C1 AK-47108 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.77 O=C(OC)C1=CC=CC=C1OC AK-94060 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.77 O=C(OC)C1=NC=CC=C1CBr AK143067 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.87 CC(C1=CC=CC(F)=C1OC)=O AK-68623 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.87 COC1=C(C=CC=C1Br)C(C)=O AK100687 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.87 O=C(O)C1=CC=CC(Br)=C1CC AK141322 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.283 C1=CC=CC(=C1C(O)=O)OCC AK-47485 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.283 COCC1=C(C=CC=C1)C(O)=O AK-66841 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.283 O=C(O)C1=NC=CC=C1OCC AK-76063 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.437 CC(C1=C(C)C=CC=C1OC)=O AK145156 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.437 CC(C1=C(OC)C=CC=C1Br)=O AK144491 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.437 CC(C1=C(OC)C=CC=C1Cl)=O AK128371 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.437 CC(C1=C(OC)C=CC=C1F)=O AK-44489 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.437 CC(C1=C(OC)C=CC=C1O)=O AK-76818 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.437 O=C(O)C1=C(OC)N=CC=C1Cl AK167713 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.1081 C1=CC=C2C(=C1C)N=CC=N2 AK-26752 [0,0,0,1,0,0|1,0,2]=4 119 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [0,0,0,1,0,0|1,0,0]=2 121 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [0,0,0,1,0,0|1,0,2]=4 122 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [0,0,0,1,0,0|2,0,1]=4 123 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [0,0,0,1,0,0|2,0,1]=4 124 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [0,0,0,1,0,0|2,0,1]=4 125 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [0,0,0,1,0,0|1,0,0]=2 127 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.1081 O=C1CCOC2=CC=CN=C21 AK-30399 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AK119860 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.2028 O=C1NC(O)C2=NC=CC=C21 AK146257 [0,0,0,1,0,0|3,0,0]=4 135 B10R1.39 CCN1C=CC=C1C(C)=O AK-87978 [0,0,0,0,1,0|2,0,0]=3 136 B10R1.39 O=C(C1=CC=NN1CC)O AK-83430 [0,0,0,0,1,0|2,0,0]=3 137 B12R1.75 CC(OC1=CC=CC=C1CBr)=O AK149576 [0,0,0,0,0,1|3,0,0]=4 138 B12R1.75 COC1=NC=CN=C1CC(C)C AK116596 [0,0,0,0,0,1|2,0,1]=4 139 B9R1.15 BrC1=NC=CC=C1C=O AK-33078 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.15 C1=CC=NC(=C1C=O)Cl AK-25854 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.15 C1=CC=NC(=C1C=O)F AK-29226 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.15 CC1=CC=CC=C1CC AK-49977 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.15 CC1=CC=CN=C1CCl AK-77025 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.15 CC1=CC=CN=C1OC AK126197 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.15 CC1=NC=CN=C1CC AK114356 [2,0,0,0,0,0|0,0,0]=2 146 B9R1.15 CCC1=C(Cl)N=CC=N1 AK-54851 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.15 CCC1=NC=CC=C1Br AK128590 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.15 CNC1=NC=CN=C1N AK-23939 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 COC1=C(Br)N=CC=N1 AK-37282 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 COC1=C(C)N=CC=N1 AK-29085 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.15 COC1=NC=CN=C1I AK-94547 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 CSC1=NC=CN=C1C AK-53396 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.15 ClC1=NC=CN=C1CCl AK-37298 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.15 ClC1=NC=CN=C1OC AK-25926 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.15 FC1=CC=CN=C1C=O AK-25751 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.15 NC1=NC=CN=C1C=O AK-30729 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.15 NC1=NC=CN=C1CC AK-30572 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.15 NC1=NC=CN=C1OC AK-23933 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.15 NCC1=NC=CC=C1C AK122548 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 NCC1=NC=CN=C1Cl AK-42166 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 NCC1=NC=CN=C1Cl AK-64298 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 O=C1C(CC)=NC=CN1 AK198883 [2,0,0,0,0,0|0,0,1]=3 163 B9R1.15 O=CC1=C(C)N=CC=C1 AK-35801 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.15 O=CC1=CC=CN=C1N AK-24791 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 O=CC1=NC=CC=C1C AK-26127 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.15 O=CC1=NC=CC=C1Cl AK-28957 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.15 OC1=C(C=O)N=CC=C1 AK-47968 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.15 OCC1=C(Cl)N=CC=N1 AK-39229 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [2,0,0,0,0,0|0,0,0]=2 171 B9R1.6 C1=NC=CN=C1C(N)=N AK-24427 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [2,0,0,0,0,0|1,0,1]=4 179 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [2,0,0,0,0,0|2,0,0]=4 185 B11R1.37 BrC1=CN=C(C(=N1)OC)OC AK-39750 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.37 O=CC1=C(OC)N=C(Cl)C=C1 AK157966 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.37 O=CC1=CC(Br)=CN=C1OC AK-39190 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.37 O=CC1=NC(Br)=CC=C1OC AK-68355 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.37 O=CC1=NC=C(Br)C=C1OC AK143122 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.41 O=CC1=CC=CC=C1OCC AK156421 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.265 O=CC1=C(C)C=CC=C1CC AK192873 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.265 O=CC1=C(OC)N=CC=C1I AK-25468 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.156 CC(=O)C1=C(C)C=CC=C1C AK110169 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.156 CC(C1=C(C)C=CC=C1O)=O AK-64408 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.166 BrC1=CN=C(C(=C1)C)C(=O)O AK-26400 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.166 CC(C1=CC=C(Cl)N=C1Cl)=O AK-49093 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.166 CC(C1=CC=C(O)C=C1C)=O AK-50197 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.166 ClC1=CN=C(C(=C1)C)C(=O)O AK-29698 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.166 FC1=NC(=C(C(=O)O)C=C1)C AK-30364 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.166 O=C(C1=NC=C(Cl)N=C1Cl)N AK123564 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.166 O=C(O)C1=C(C)N=C(Br)C=C1 AK144236 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 AK-58691 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.166 OC(=O)C1=NC=C(Cl)N=C1Cl AK-51403 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.167 BrC1=NC=C(N=C1C(=O)O)Br AK-31824 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.167 CC(C1=CC(Br)=CC=C1C)=O AK147547 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.167 CC(C1=CC(Br)=CN=C1F)=O AK-30697 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.167 CC(C1=NC(Br)=CC=C1F)=O AK372267 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.167 CC(C1=NC(Cl)=NC=C1C)=O AK-92912 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.167 CC1=CC=C(C)C(=N1)C(O)=O AK-76881 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.167 CC1=NC(C(O)=O)=C(C)N=C1 AK-80652 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=N1 AK-39093 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.167 NC(=O)C1=C(O)N=CC(Br)=N1 AK-76974 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br AK-21914 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.167 NC1=NC=C(N=C1C(=O)O)Cl AK-30466 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.167 O=C(C1=CC(Cl)=CN=C1C)O AK-41038 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.167 O=C(C1=NC(Br)=CN=C1O)O AK-93166 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.167 O=C(C1=NC(Cl)=CN=C1Br)O AK-31823 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.167 O=C(C1=NC(Cl)=CN=C1Cl)N AK134683 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.167 O=C(C1=NC(Cl)=CN=C1Cl)O AK128606 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.167 O=C(C1=NC(Cl)=CN=C1O)N AK-76972 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1C AK-47252 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.167 O=C(O)C1=NC(O)=CC=C1C AK-68364 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.222 BrC1=NC=CN=C1C(=O)OC AK-30735 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.222 C1=C(C(=O)OC)C(=NC=C1)F AK-25162 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.222 C1=CC=NC(=C1C(OC)=O)Cl AK-44999 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.222 C1=CC=NC(=C1C(OC)=O)N AK-27747 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.222 C1=CN=C(C(=N1)C(OC)=O)N AK-29912 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.222 CC1=C(C(=O)OC)C=CC=N1 AK-27990 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.222 COC(=O)C1=C(C)N=CC=N1 AK-97091 [1,1,0,0,0,0|0,0,0]=2 230 B11R1.222 COC(=O)C1=NC=CC=C1C AK-61199 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.222 ClC1=C(N=CC=C1)C(=O)OC AK-23912 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.222 ClC1=NC=CN=C1C(=O)OC AK-39173 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.222 O=C(C1=NC=CC=C1Br)OC AK-28556 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.222 O=C(C1=NC=CC=C1F)OC AK-30151 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.222 O=C(C1=NC=CN=C1I)OC AK-30597 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.222 O=C(C1=NC=CN=C1N)NN AK-30747 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.222 O=C(OC)C1=NC=CC=C1N AK-29219 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.222 OC1=NC=CN=C1C(=O)OC AK-39232 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.49 C(C)C1=C(SC(=N1)C)C(=O)O AK-56280 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.49 O=C(C1=CC(C)=NN1CC)O AK165900 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.59 O=C(C1=C(CC)NC=C1)OC AK173442 [0,1,0,0,1,0|0,0,1]=3 245 B13R1.141 CCOC1=NC=C(Cl)C=C1C(O)=O AK-76759 [0,2,0,0,0,0|2,0,0]=4 246 B13R1.2209 O=C(C1=NC(Br)=CN=C1NC)OC AK146561 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.2209 O=C(OC)C1=CC(Br)=CC=C1CC AK133837 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.2209 O=C(OC)C1=NC(Br)=CC=C1OC AK-80756 [0,2,0,0,0,0|2,0,0]=4 249 B13R1.2065 O=C(OC)C1=C(OC)N=C(Br)C=C1 AK138895 [0,2,0,0,0,0|2,0,0]=4 250 B13R1.2065 O=C(OC)C1=C(OC)N=C(Cl)C=C1 AK-51086 [0,2,0,0,0,0|2,0,0]=4 251 B13R1.349 OC(=O)C1=C(N=CC=N1)C(F)(F)F AK-57156 [0,2,0,0,0,0|2,0,0]=4 252 B13R1.107 CCC1=C(C=CC=C1O)C(=O)OC AK100902 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.382 O=C(OC)C1=CC=CC=C1CCBr AK130276 [0,2,0,0,0,0|2,0,0]=4 254 B13R1.547 O=C(OC)C1=NC=CC=C1C(Br)Br AK151957 [0,2,0,0,0,0|2,0,0]=4 255 B13R1.2357 O=C(OC)C1=C(OC)N=CC=C1Cl AK109712 [0,2,0,0,0,0|2,0,0]=4 256 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,1,0,0|2,0,0]=4 257 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [1,0,0,1,0,0|0,0,1]=3 258 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [1,0,0,1,0,0|1,0,0]=3 259 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [1,0,0,1,0,0|2,0,0]=4 260 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [1,0,0,1,0,0|1,0,1]=4 262 B11R2.20 C1=NC2=C(N=C1)CCCC2 AK-34766 [1,0,0,1,0,0|0,0,1]=3 263 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [1,0,0,1,0,0|2,0,0]=4 264 B11R2.106 O=C1C2=CC=NN2CCC1 AK137088 [0,0,0,1,1,0|1,0,0]=3 265 B11R2.106 O=C1CCCC2=C1C=CO2 AK-63547 [0,0,0,1,1,0|1,0,0]=3 266 B11R2.106 O=C1CCCC2=C1C=CS2 AK-46453 [0,0,0,1,1,0|1,0,0]=3 267 B11R2.106 O=C1CCCC2=C1SC=N2 AK-38685 [0,0,0,1,1,0|1,0,0]=3 268 B13R2.72 CC(N1CCC2=C1C=CC=C2)=O AK-47012 [0,0,0,1,0,1|2,0,0]=4 269 B13R2.163 C1=CC=CC2=C1NC(=O)CCC2 AK-25978 [0,0,0,1,0,1|2,0,0]=4 270 B13R2.163 O=C1CCCC2=CC=CN=C2N1 AK-87283 [0,0,0,1,0,1|1,0,0]=3 271 B13R2.162 O=C1C2=C(N=CC(Cl)=C2)CCC1 AK-31112 [0,1,0,1,0,0|1,0,0]=3 272 B13R2.162 O=C1CCCC2=C1C=C(Br)C=C2 AK-28669 [0,1,0,1,0,0|2,0,0]=4 273 B13R2.162 O=C1CCCC2=C1C=C(C)C=C2 AK126048 [0,1,0,1,0,0|2,0,0]=4 274 B13R2.162 O=C1CCCC2=C1C=C(Cl)C=C2 AK-34450 [0,1,0,1,0,0|2,0,0]=4 275 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 AK-34151 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.5179 ClC1=CC=C2C(=O)CCNC2=N1 AK-48493 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.5179 O=C1CCCC2=C1C=CC(Br)=C2 AK-30099 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.5179 O=C1CCCC2=C1C=CC(C)=C2 AK153238 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=C2 AK113501 [0,1,0,1,0,0|2,0,0]=4 280 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 AK-65229 [0,1,0,1,0,0|2,0,0]=4 281 B13R2.5179 O=C1CCCC2=C1C=CC(O)=C2 AK-29202 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C12 AK-90073 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O AK110949 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.32 O=C1C(Br)CCC2=C1C=CC=C2 AK-44524 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 AK-80112 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.371 O=C1CCC(O)C2=C1C=CC=C2 AK-40574 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.5252 C1=C2C(=CC=C1)NCCCC2=O AK-29782 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.5252 O=C1NCCCC2=CC=CC=C12 AK-36067 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.342 O=C1CCCC2=C1C=CC=C2Br AK-36105 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.342 O=C1CCCC2=C1C=CC=C2Cl AK-39295 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.342 O=C1CCCC2=C1C=CC=C2F AK-36924 [0,1,0,1,0,0|2,0,0]=4 292 B13R2.342 O=C1CCCC2=C1C=CC=C2I AK127140 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.5569 CC(C1=C2OCCC2=CC=C1)=O AK-33660 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.5514 O=C(O)C1=NC=CC=C1C2CC2 AK131945 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.14 O=CC1=C(OC)C=CO1 AK320838 [1,0,0,0,1,0|2,0,0]=4 296 B9R1.14 O=CC1=NC=CN1CC AK-41483 [1,0,0,0,1,0|1,0,0]=3 297 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [1,0,0,0,1,0|2,0,0]=4 298 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [1,0,0,0,1,0|2,0,0]=4 299 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [1,0,0,0,1,0|1,0,1]=4 300 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [1,0,0,0,1,0|2,0,0]=4 301 B9R1.41 CC1=NOC=C1C(=O)O AK-33667 [1,0,0,0,1,0|2,0,0]=4 302 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [1,0,0,0,1,0|1,0,0]=3 303 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [1,0,0,0,1,0|1,0,0]=3 304 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [1,0,0,0,1,0|1,0,1]=4 305 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [1,0,0,0,1,0|2,0,0]=4 306 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [1,0,0,0,1,0|2,0,0]=4 307 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [1,0,0,0,1,0|2,0,0]=4 308 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [1,0,0,0,1,0|2,0,0]=4 309 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [1,0,0,0,1,0|2,0,0]=4 310 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [1,0,0,0,1,0|2,0,0]=4 311 B9R1.41 O=C(C1=CNN=C1C)O AK-39586 [1,0,0,0,1,0|2,0,0]=4 312 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [1,0,0,0,1,0|2,0,0]=4 313 B9R1.41 O=C(C1=NC=NN1C)O AK179208 [1,0,0,0,1,0|2,0,0]=4 314 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [1,0,0,0,1,0|2,0,0]=4