0 B8R1.7 C1=C(B(O)O)OC=C1 AK-47548 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 C1=C([N+]([O-])=O)[NH]C=N1 AK-34599 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 C1=C([N+]([O-])=O)[NH]N=C1 AK-27124 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 C1=CC=N[N]1[N+](=O)[O-] AK-50064 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 C1=COC=C1C(O)=O AK-32276 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.7 CC(C1=NC=CN1)C AK106223 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.7 CC(C1SCCN1)=O AK163728 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.7 CC(N)C1=NC=CS1 AK-77903 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.7 CC(N)C1=NC=CS1 AK-77904 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.7 CC(N1N=CC=C1)C AK-61646 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.7 C[C@@H](N)C1=NC=CS1 AK153996 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.7 C[C@H](N)C1=NC=CS1 AK153993 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.7 N=C(C1=NC=CS1)N AK-78239 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.7 N=C(N1N=CC=C1)N AK-27720 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.7 NC(=O)C1=NC=NN1 AK-32575 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,0,0,0,0,0|2,0,2]=4 34 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [0,0,0,0,0,0|1,0,1]=2 37 B8R1.7 O=C(C1=COC=N1)O AK-29026 [0,0,0,0,0,0|2,0,1]=3 38 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [0,0,0,0,0,0|2,0,1]=3 40 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.7 O=C(C1=NC=CN1)N AK139797 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [0,0,0,0,0,0|2,0,1]=3 45 B8R1.7 O=C(C1CC=CC1)O AK-36334 [0,0,0,0,0,0|2,0,2]=4 46 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [0,0,0,0,0,0|1,0,2]=3 47 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.7 O=[N+](C1=NC=CN1)[O-] AK-28550 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.7 OB(C1=CC=CS1)O AK-46314 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.7 OB(C1=NC=CN1)O AK-72835 [0,0,0,0,0,0|3,0,1]=4 51 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [0,0,0,0,0,0|1,0,1]=2 54 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [0,0,0,0,0,0|2,0,1]=3 55 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [0,0,0,0,0,0|2,1,0]=3 56 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [0,0,0,0,0,0|1,0,2]=3 57 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [0,0,0,0,0,0|2,0,0]=2 59 B8R1.7 [O-][N+](=O)C1=CNC=C1 AK-82340 [0,0,0,0,0,0|4,0,0]=4 60 B7R1.1 BrCC1=NC=CN1 AK142906 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 C1=C(N=CS1)C=O AK-23930 [1,0,0,0,0,0|1,0,1]=3 62 B7R1.1 C1=C(SC=C1)C#N AK-46367 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.1 C1=C(SC=C1)C=O AK-26482 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [1,0,0,0,0,0|1,0,0]=2 66 B7R1.1 C1=CSC(=N1)C=O AK-46309 [1,0,0,0,0,0|1,0,1]=3 67 B7R1.1 C=CC1=NC=CS1 AK251551 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.1 CCC1=CC=CS1 AK-76635 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 CCC1=NC=CN1 AK161825 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 CCN1N=CC=C1 AK-39994 [1,0,0,0,0,0|1,0,2]=4 71 B7R1.1 CNC1=NC=CS1 AK-32595 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 COC1=CC=CS1 AK-60885 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 COC1=CSC=C1 AK-60944 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 COC1=NC=CS1 AK-46322 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 N#CC1=NC=CN1 AK-81383 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 NCC1=CC=CN1 AK-39872 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.1 NCC1=CC=CS1 AK-46394 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 O=CC1=CC=CN1 AK-25235 [1,0,0,0,0,0|0,0,0]=1 79 B7R1.1 O=CC1=CN=CS1 AK-39378 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 O=CC1=CNC=C1 AK-36182 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 O=CC1=CNN=C1 AK-25836 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 O=CC1=CNN=C1 AK158761 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 O=CC1=CSC=C1 AK-42964 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 OCC1=CC=CS1 AK-93468 [1,0,0,0,0,0|1,0,2]=4 85 B7R1.1 OCC1=NC=CN1 AK-44944 [1,0,0,0,0,0|1,0,2]=4 86 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.11 BrCC(C1=NC=CS1)=O AK-45640 [0,1,0,0,0,0|1,0,1]=3 89 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.11 COC(=O)C1=COC=N1 AK100835 [0,1,0,0,0,0|1,0,1]=3 93 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [0,1,0,0,0,0|1,0,1]=3 94 B9R1.11 NC(C1=CC=CS1)CO AK684513 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [0,1,0,0,0,0|0,0,0]=1 96 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.11 O=C(C1=CNN=C1)OC AK-65272 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [0,1,0,0,0,0|1,0,1]=3 105 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [0,1,0,0,0,0|1,0,1]=3 106 B9R1.11 O=C(C1=NNC=N1)OC AK-30559 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.19 C1=C([S](N)(=O)=O)SC=C1 AK-23658 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.19 O=S(C1=CC=CS1)(O)=O AK-53556 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.19 O=S(C1=NC=CN1)(Cl)=O AK126290 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.35 C1=C(C(=O)O)SC(=N1)N AK-24488 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.35 C1=C(C)ON=C1C(N)=O AK-26695 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.35 C1=C(N=C(S1)N)C(=O)C AK-54799 [0,1,0,0,0,0|1,0,1]=3 116 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.35 C1=C(ON=C1Br)C(=O)O AK-21783 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.35 C1=C([NH]C(=N1)Br)[N+]([O-])=O AK-23609 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.35 C1=C([NH]C(=N1)Cl)[N+]([O-])=O AK-23625 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,1,0,0,0,0|1,0,1]=3 127 B9R1.35 CC(=O)C1=NOC(C)=C1 AK-47045 [0,1,0,0,0,0|1,0,1]=3 128 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.35 CN1C=C(C=N1)C(C)=O AK-34919 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.35 CN1C=CC(=N1)C(N)=O AK102817 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.35 C[N]1C=C(N=C1)C(=O)N AK-47806 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.35 NC1=NN=C(N1)C(O)=O AK-24773 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.35 O=C(C1=CC(O)=NO1)N AK143689 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.35 O=C(C1=CN=C(Br)S1)N AK-48537 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 O=C(C1=CN=C(Br)S1)O AK-26941 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.35 O=C(C1=COC(Br)=N1)O AK-76031 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.35 O=C(C1=COC(I)=N1)O AK-41227 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.35 O=C(C1=CSC(Br)=C1)N AK138264 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.35 O=C(C1=CSC(Br)=N1)O AK-23610 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.35 O=C(C1=CSC(Cl)=N1)O AK-48303 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.35 O=C(C1=CSC(N)=N1)N AK109042 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.35 O=C(C1=NC(Br)=CS1)O AK-40795 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.35 O=C(C1=NC=C(Br)S1)O AK122038 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.35 O=C(C1=NNC(Br)=C1)O AK128451 [0,1,0,0,0,0|2,0,1]=4 166 B9R1.35 O=C(C1=NNC(Cl)=C1)O AK112708 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [0,1,0,0,0,0|2,0,1]=4 168 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.35 O=[N+](C1=CC=C(Br)S1)[O-] AK-25363 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.35 OC(=O)C1=CNC(=O)N1 AK-68699 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.35 OC(=O)C1=COC(Cl)=N1 AK-72648 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.41 BrC1=C[NH]N=C1C(=O)N AK-39986 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.41 C1=C([N](C=N1)C)[N+](=O)[O-] AK-30556 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.41 C1=CC(=C(S1)N)C(=O)N AK-50549 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.41 C1=NC(=C([NH]1)C(=O)N)O AK-26137 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.41 CC(=O)N1C=COC1=O AK-82187 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [0,1,0,0,0,0|0,0,0]=1 186 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [0,1,0,0,0,0|1,0,0]=2 187 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [0,1,0,0,0,0|1,0,0]=2 190 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.41 NC1=C([N+]([O-])=O)SC=C1 AK126981 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.41 O=C(C1=C(Br)C=NN1)O AK-59621 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.41 O=C(C1=C(Br)SC=N1)O AK-22047 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [0,1,0,0,0,0|2,0,1]=4 205 B9R1.41 O=C(C1=C(Cl)C=NN1)O AK-75702 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.41 O=C(C1=C(Cl)C=NS1)O AK314030 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.41 O=C(C1=C(I)C=NN1)O AK-92905 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.41 O=C(C1=C(N)NC=N1)N AK-34082 [0,1,0,0,0,0|2,0,1]=4 210 B9R1.41 O=C(C1=C(N)NC=N1)N AK-48933 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.41 O=C(C1=C(N)SC=N1)N AK-88620 [0,1,0,0,0,0|2,0,1]=4 212 B9R1.41 O=C(C1=CC=CN1N)N AK-45334 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.41 O=C(C1=CN=CN1C)O AK-35106 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.41 O=C(C1=CN=NN1C)O AK-31403 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.41 O=C(C1=NC=NN1C)O AK179208 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.41 O=C(C1=NNC=C1Br)O AK-46340 [0,1,0,0,0,0|2,0,1]=4 220 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.41 O=[N+](C1=C(Br)C=CS1)[O-] AK-98663 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.41 O=[N+](C1=C(C)N=CN1)[O-] AK-49381 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [0,0,1,0,0,0|2,0,0]=3 226 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [0,0,1,0,0,0|1,0,2]=4 227 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [0,0,1,0,0,0|1,0,2]=4 228 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [0,0,1,0,0,0|1,0,2]=4 229 B9R2.2 C1(C2CC2)=NC=CN1 AK165338 [0,0,0,1,0,0|2,0,1]=4 230 B9R2.7 O=C1C2CC=CC2C1 AK-28134 [0,0,0,1,0,0|1,0,2]=4 231 B9R1.6 C(N)(=N)C1=NC=CC=N1 AK-33208 [0,0,0,0,0,1|2,0,1]=4 232 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,0,0,0,0,1|1,0,0]=2 233 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,0,0,0,1|0,0,1]=2 234 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [0,0,0,0,0,1|2,0,0]=3 235 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [0,0,0,0,0,1|0,0,1]=2 236 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [0,0,0,0,0,1|1,0,1]=3 237 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [0,0,0,0,0,1|1,0,1]=3 238 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [0,0,0,0,0,1|1,0,2]=4 239 B9R1.6 C1=NC=CN=C1C(N)=N AK-24427 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [0,0,0,0,0,1|1,0,1]=3 241 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [0,0,0,0,0,1|2,0,1]=4 242 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,0,0,0,0,1|0,0,1]=2 243 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [0,0,0,0,0,1|1,0,1]=3 244 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [0,0,0,0,0,1|0,0,1]=2 245 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [0,0,0,0,0,1|1,0,1]=3 246 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [0,0,0,0,0,1|0,0,1]=2 247 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [0,0,0,0,0,1|1,0,2]=4 248 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [0,0,0,0,0,1|1,0,2]=4 249 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [0,0,0,0,0,1|1,0,2]=4 250 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [0,0,0,0,0,1|0,0,3]=4 251 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [0,0,0,0,0,1|2,0,1]=4 252 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [0,0,0,0,0,1|2,0,1]=4 253 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [0,0,0,0,0,1|1,0,2]=4 254 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [0,0,0,0,0,1|1,0,2]=4 255 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [0,0,0,0,0,1|1,0,2]=4 256 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [0,0,0,0,0,1|1,0,2]=4 257 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [0,0,0,0,0,1|0,0,3]=4 258 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [0,0,0,0,0,1|1,0,2]=4 259 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [0,0,0,0,0,1|1,0,2]=4 260 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [0,0,0,0,0,1|1,1,1]=4 261 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [0,0,0,0,0,1|1,0,2]=4 262 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [0,0,0,0,0,1|1,0,1]=3 263 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [0,0,0,0,0,1|2,0,1]=4 264 B9R1.6 N=C(C1=NC=CC=N1)N AK164164 [0,0,0,0,0,1|2,0,1]=4 265 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [0,0,0,0,0,1|2,0,1]=4 269 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [0,0,0,0,0,1|2,0,1]=4 270 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [0,0,0,0,0,1|1,0,1]=3 272 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [0,0,0,0,0,1|2,1,0]=4 273 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [0,0,0,0,0,1|2,0,1]=4 274 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [0,0,0,0,0,1|1,0,2]=4 275 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [0,0,0,0,0,1|1,0,1]=3 276 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [0,0,0,0,0,1|2,0,0]=3 277 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [0,0,0,0,0,1|1,0,1]=3 278 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,0,0,0,0,1|1,0,1]=3 279 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [0,0,0,0,0,1|1,0,1]=3 280 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,0,0,0,0,1|1,0,1]=3 281 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [0,0,0,0,0,1|2,0,0]=3 283 B9R1.13 CC(NC1=CSC=C1)=O AK-78788 [0,0,0,0,0,1|2,0,0]=3 284 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [0,0,0,0,0,1|2,0,0]=3 286 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,0,0,0,0,1|2,0,0]=3 287 B9R1.13 O=C(O)CC1=CN=CN1 AK-35977 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.13 O=C(O)CC1=NNC=C1 AK153425 [0,0,0,0,0,1|2,0,1]=4 289 B6R1.2 BrC1=NC=CN1 AK-60873 [2,0,0,0,0,0|2,0,0]=4 290 B6R1.2 C1=C(Cl)[NH]C=N1 AK-39375 [2,0,0,0,0,0|2,0,0]=4 291 B6R1.2 C1=C(N=CS1)C AK-27071 [2,0,0,0,0,0|1,0,1]=4 292 B6R1.2 C1=C([NH]C=N1)Br AK-29028 [2,0,0,0,0,0|2,0,0]=4 293 B6R1.2 C1=C([NH]N=C1)C AK-47298 [2,0,0,0,0,0|1,0,0]=3 294 B6R1.2 C1=CN=C([NH]1)N AK-25424 [2,0,0,0,0,0|2,0,0]=4 295 B6R1.2 C1=CSC(=N1)C AK-25844 [2,0,0,0,0,0|1,0,1]=4 296 B6R1.2 C1=NC=C(I)[NH]1 AH-10005 [2,0,0,0,0,0|2,0,0]=4 297 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [2,0,0,0,0,0|2,0,0]=4 298 B6R1.2 CC1=CN=CS1 AK-40769 [2,0,0,0,0,0|2,0,0]=4 299 B6R1.2 CC1=CNC=C1 AK-59534 [2,0,0,0,0,0|2,0,0]=4 300 B6R1.2 CC1=NC=CN1 AK-76902 [2,0,0,0,0,0|1,0,0]=3 301 B6R1.2 ClC1=CC=NN1 AK132931 [2,0,0,0,0,0|2,0,0]=4 302 B6R1.2 ClC1=NC=CN1 AK-60874 [2,0,0,0,0,0|2,0,0]=4 303 B6R1.2 FC1=NC=CN1 AK143276 [2,0,0,0,0,0|2,0,0]=4 304 B6R1.2 IC1=CC=CS1 AK-77599 [2,0,0,0,0,0|2,0,0]=4 305 B6R1.2 N1=CC=C([NH]1)N AK-36860 [2,0,0,0,0,0|2,0,0]=4 306 B6R1.2 NC1=CN=CN1 AK110462 [2,0,0,0,0,0|2,0,0]=4 307 B6R1.2 NC1=NC=CN1 AK112047 [2,0,0,0,0,0|2,0,0]=4 308 B6R1.2 O=C1CC=NN1 AK-90809 [2,0,0,0,0,0|1,0,1]=4 309 B6R1.2 O=C1NC=CN1 AK-45238 [2,0,0,0,0,0|1,0,0]=3 310 B6R1.2 O=C1NNC=C1 AK-58738 [2,0,0,0,0,0|1,0,0]=3 311 B6R1.2 O=C1NSC=C1 AK101140 [2,0,0,0,0,0|1,0,0]=3 312 B6R1.2 O=C1OCC=C1 AK163254 [2,0,0,0,0,0|1,0,1]=4 313 B6R1.2 S=C1NC=CN1 AK134899 [2,0,0,0,0,0|1,1,0]=4 314 B8R0.3 C=CCC(N)C(OC)=O AK164017 [0,1,1,0,0,0|0,0,2]=4 315 B8R1.1 BrC1=NOC(C=O)=C1 AK-23688 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.1 C1=C(C=O)SC(=N1)Br AK-23611 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [1,1,0,0,0,0|1,0,1]=4 318 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.1 C1=C(SC(=N1)N)C=O AK-21788 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.1 CC1=CC(C=O)=NN1 AK-98775 [1,1,0,0,0,0|1,0,1]=4 321 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.1 CC1=CN=C(CC)N1 AK161824 [1,1,0,0,0,0|1,0,1]=4 323 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [1,1,0,0,0,0|1,0,1]=4 324 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,1,0,0,0,0|1,0,1]=4 325 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [1,1,0,0,0,0|1,0,1]=4 326 B8R1.1 IC1=CNC(C=O)=C1 AK-76715 [1,1,0,0,0,0|0,0,0]=2 327 B8R1.1 IC1=CSC(C=O)=C1 AK-82084 [1,1,0,0,0,0|1,0,0]=3 328 B8R1.1 N#CC1=CC(Cl)=CN1 AK120657 [1,1,0,0,0,0|1,0,1]=4 329 B8R1.1 O=CC1=CC(Br)=CO1 AK-79028 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.1 O=CC1=CC(Br)=CS1 AK-33867 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [1,1,0,0,0,0|1,0,0]=3 332 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.1 O=CC1=CN=C(Cl)S1 AK-45673 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.1 O=CC1=CN=C(N)S1 AK-94752 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.1 O=CC1=CSC(Br)=N1 AK-21791 [1,1,0,0,0,0|1,0,1]=4 340 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.1 O=CC1=CSC(Cl)=C1 AK-50469 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.1 O=CC1=CSC(Cl)=N1 AK-40953 [1,1,0,0,0,0|1,0,1]=4 343 B8R1.1 O=CC1=NC(Br)=CS1 AK-40945 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.1 O=CC1=NOC(C)=C1 AK-35881 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,1,0,0,0,0|1,0,1]=4 347 B8R1.8 ClCCC1=CN=CN1 AK-40927 [1,1,0,0,0,0|1,0,1]=4 348 B8R1.8 NCCC1=CC=CS1 AK-44822 [1,1,0,0,0,0|1,0,1]=4 349 B8R1.8 NCCC1=NC=CN1 AK170004 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,1,0,0,0,0|1,0,1]=4 351 B8R1.8 OCCC1=CN=CN1 AK144733 [1,1,0,0,0,0|1,0,1]=4 352 B8R1.11 BrC1=CSC=C1C=O AK-33868 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.11 C1=CN=C(C=O)[N]1C AK-38404 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.11 CC1=C(C=O)N=CS1 AK-74018 [1,1,0,0,0,0|1,0,1]=4 355 B8R1.11 CC1=C(SC=N1)C=O AK-36462 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.11 CSC1=NC=CN1C AK175602 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [1,1,0,0,0,0|1,0,0]=3 358 B8R1.11 ClC1=C(SC=N1)C=O AK-24953 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.11 NCC1=CC=CN1C AK-44946 [1,1,0,0,0,0|1,0,1]=4 360 B8R1.11 O=CC1=C(Br)C=CS1 AK-36900 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.11 O=CC1=C(Br)SC=C1 AK129456 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.11 O=CC1=C(C)NC=N1 AK117462 [1,1,0,0,0,0|1,0,1]=4 363 B8R1.11 O=CC1=C(Cl)SC=C1 AK141878 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.11 O=CC1=C(I)SC=C1 AK143585 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [0,1,0,0,0,1|1,0,1]=4 366 B10R1.13 BrC1=CN=C(N=C1)C(=O)O AK-21808 [0,1,0,0,0,1|1,0,1]=4 367 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [0,1,0,0,0,1|0,0,1]=3 368 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [0,1,0,0,0,1|1,0,1]=4 369 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,1,0,0,0,1|0,0,1]=3 370 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,1,0,0,0,1|1,0,0]=3 371 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [0,1,0,0,0,1|1,0,1]=4 375 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [0,1,0,0,0,1|1,0,1]=4 376 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.13 C1=NC(=CN=C1C(=O)N)Cl AK-28055 [0,1,0,0,0,1|1,0,1]=4 378 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [0,1,0,0,0,1|1,0,1]=4 379 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [0,1,0,0,0,1|0,0,1]=3 380 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,1,0,0,0,1|1,0,0]=3 381 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,1,0,0,0,1|1,0,0]=3 382 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [0,1,0,0,0,1|0,0,1]=3 383 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,1,0,0,0,1|1,0,0]=3 384 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,1,0,0,0,1|1,0,0]=3 385 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [0,1,0,0,0,1|0,0,1]=3 386 B10R1.13 CC(C1=CN=C(Cl)N=C1)=O AK135579 [0,1,0,0,0,1|1,0,1]=4 387 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,1,0,0,0,1|0,0,1]=3 388 B10R1.13 CC(C1=NC=C(Br)C=N1)=O AK129384 [0,1,0,0,0,1|0,0,1]=3 389 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,1,0,0,0,1|0,0,1]=3 390 B10R1.13 CC(C1=NC=C(Cl)N=C1)=O AK-42149 [0,1,0,0,0,1|0,0,1]=3 391 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,1,0,0,0,1|0,0,1]=3 392 B10R1.13 CC(C1=NC=C(O)N=C1)=O AK134806 [0,1,0,0,0,1|0,0,1]=3 393 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [0,1,0,0,0,1|0,0,1]=3 394 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [0,1,0,0,0,1|1,0,1]=4 395 B10R1.13 ClC1=CC=C(N=N1)C(=O)N AK-28115 [0,1,0,0,0,1|1,0,1]=4 396 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [0,1,0,0,0,1|1,0,1]=4 397 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [0,1,0,0,0,1|1,0,1]=4 398 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.13 NC(=O)C1=NC=C(N)C=N1 AK-82639 [0,1,0,0,0,1|1,0,1]=4 400 B10R1.13 NC(=O)C1=NC=C(N)N=C1 AK102768 [0,1,0,0,0,1|1,0,1]=4 401 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [0,1,0,0,0,1|1,0,1]=4 402 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [0,1,0,0,0,1|1,0,1]=4 403 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [0,1,0,0,0,1|1,0,1]=4 404 B10R1.13 O=C(C1=CC=C(Cl)N=C1)N AK-44668 [0,1,0,0,0,1|1,0,1]=4 405 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [0,1,0,0,0,1|1,0,1]=4 406 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [0,1,0,0,0,1|1,0,1]=4 407 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [0,1,0,0,0,1|1,0,1]=4 408 B10R1.13 O=C(C1=NC=C(Br)C=N1)N AK-75832 [0,1,0,0,0,1|1,0,1]=4 409 B10R1.13 O=C(C1=NC=C(Br)N=C1)N AK156282 [0,1,0,0,0,1|1,0,1]=4 410 B10R1.13 O=C(C1=NC=C(C)C=N1)O AK-29650 [0,1,0,0,0,1|1,0,1]=4 411 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [0,1,0,0,0,1|1,0,1]=4 412 B10R1.13 O=C(C1=NC=C(O)C=N1)O AK-40704 [0,1,0,0,0,1|1,0,1]=4 413 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [0,1,0,0,0,1|1,0,1]=4 414 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [0,1,0,0,0,1|1,0,1]=4 416 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 AK-41744 [0,1,0,0,0,1|1,0,1]=4 420 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [0,1,0,0,0,1|1,0,1]=4 421 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [0,1,0,0,0,1|1,0,1]=4 422 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [0,1,0,0,0,1|1,0,1]=4 423 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [0,1,0,0,0,1|1,0,1]=4 429 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [0,1,0,0,0,1|1,0,1]=4 430 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [0,1,0,0,0,1|1,0,0]=3 431 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [0,1,0,0,0,1|1,0,1]=4 432 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.13 O=[N+]([O-])C1=CNC(=O)C=C1 AK-29363 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [0,1,0,0,0,1|1,0,1]=4 437 B10R1.13 OC(=O)C1=NC=C(Cl)C=N1 AK-64297 [0,1,0,0,0,1|1,0,1]=4 438 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [0,1,0,0,0,1|1,0,1]=4 439 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [0,1,0,0,0,1|1,0,0]=3 441 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,1,0,0,0,1|0,0,1]=3 442 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [0,1,0,0,0,1|0,0,1]=3 443 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [0,1,0,0,0,1|0,0,1]=3 444 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [0,1,0,0,0,1|1,0,1]=4 445 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,1,0,0,0,1|1,0,0]=3 446 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.15 NNC(C1=CC=CN=C1)=O AK-44810 [0,1,0,0,0,1|1,0,1]=4 448 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,1,0,0,0,1|0,0,1]=3 449 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [0,1,0,0,0,1|0,0,1]=3 450 B10R1.15 O=C(C1=NC=NC=C1)NN AK-68698 [0,1,0,0,0,1|1,0,1]=4 451 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [0,1,0,0,0,1|0,0,1]=3 452 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,1,0,0,0,1|1,0,0]=3 453 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [0,1,0,0,0,1|1,0,1]=4 454 B10R1.15 O=C(NN)C1=NC=CN=C1 AK-48495 [0,1,0,0,0,1|1,0,1]=4 455 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,1,0,0,0,1|1,0,0]=3 458 B10R1.61 BrC1=C(C(=O)N)C=CN=C1 AK-29834 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.61 BrC1=C(C=CN=C1)C(=O)O AK-23517 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.61 BrC1=CC=CN=C1C(=O)O AK-25745 [0,1,0,0,0,1|1,0,1]=4 461 B10R1.61 BrC1=CN=CN=C1C(=O)O AK-23815 [0,1,0,0,0,1|1,0,1]=4 462 B10R1.61 BrC1=NC=CN=C1C(=O)O AK-30736 [0,1,0,0,0,1|1,0,1]=4 463 B10R1.61 C1=C(C(=NC=C1)Cl)C(N)=O AK-39181 [0,1,0,0,0,1|1,0,1]=4 464 B10R1.61 C1=C(C(=NC=C1)Cl)C(O)=O AK-27015 [0,1,0,0,0,1|1,0,1]=4 465 B10R1.61 C1=C(C(=NC=C1)F)C(O)=O AK-25163 [0,1,0,0,0,1|1,0,1]=4 466 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [0,1,0,0,0,1|1,0,0]=3 467 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [0,1,0,0,0,1|1,0,0]=3 468 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [0,1,0,0,0,1|1,0,0]=3 470 B10R1.61 C1=CC=NC(=C1C)C(O)=O AK-26613 [0,1,0,0,0,1|1,0,1]=4 471 B10R1.61 C1=CN=C(C(=C1)C(=O)N)F AK-25200 [0,1,0,0,0,1|1,0,1]=4 472 B10R1.61 C1=CN=C(C(=N1)C(O)=O)N AK-16902 [0,1,0,0,0,1|1,0,1]=4 473 B10R1.61 C1=CN=CC(=C1C(=O)O)F AK-25903 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.61 C1=NC=CC(=C1C(O)=O)C AK-34679 [0,1,0,0,0,1|1,0,1]=4 475 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 AK-31153 [0,1,0,0,0,1|0,0,1]=3 476 B10R1.61 CC(=O)C1=C(C)N=CC=N1 AK-89662 [0,1,0,0,0,1|0,0,1]=3 477 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [0,1,0,0,0,1|1,0,0]=3 478 B10R1.61 CC(=O)C1=CC=CN=C1F AK-36408 [0,1,0,0,0,1|0,0,1]=3 479 B10R1.61 CC(=O)C1=CC=CN=C1N AK-61895 [0,1,0,0,0,1|0,0,1]=3 480 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [0,1,0,0,0,1|0,0,1]=3 481 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [0,1,0,0,0,1|1,0,0]=3 483 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [0,1,0,0,0,1|1,0,0]=3 484 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [0,1,0,0,0,1|0,0,1]=3 485 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [0,1,0,0,0,1|0,0,1]=3 486 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [0,1,0,0,0,1|0,0,1]=3 487 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [0,1,0,0,0,1|0,0,1]=3 488 B10R1.61 CC1=C(C(=O)N)C=CC=N1 AK-39636 [0,1,0,0,0,1|1,0,1]=4 489 B10R1.61 CC1=C(C(=O)O)C=CC=N1 AK-25768 [0,1,0,0,0,1|1,0,1]=4 490 B10R1.61 CC1=NC=CN=C1C(=O)O AK-25946 [0,1,0,0,0,1|1,0,1]=4 491 B10R1.61 ClC1=C(C(=O)O)C=CN=C1 AK-26411 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.61 ClC1=CC=CN=C1C(=O)O AK-23699 [0,1,0,0,0,1|1,0,1]=4 493 B10R1.61 ClC1=CC=NC=C1C(=O)O AK-25252 [0,1,0,0,0,1|1,0,1]=4 494 B10R1.61 ClC1=NC=CN=C1C(=O)O AK-24100 [0,1,0,0,0,1|1,0,1]=4 495 B10R1.61 FC1=C(C=CN=C1)C(C)=O AK-37142 [0,1,0,0,0,1|1,0,0]=3 496 B10R1.61 FC1=C(N=CC=C1)C(=O)O AK-28801 [0,1,0,0,0,1|1,0,1]=4 497 B10R1.61 NC1=C(C=NC=C1)C(=O)N AK-29493 [0,1,0,0,0,1|1,0,1]=4 498 B10R1.61 NC1=C(C=NC=C1)C(O)=O AK-27731 [0,1,0,0,0,1|1,0,1]=4 499 B10R1.61 O=C(C1=CN=CNC1=O)O AK-39341 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.61 O=C(C1=NC=CC=C1N)O AK-25432 [0,1,0,0,0,1|1,0,1]=4 501 B10R1.61 O=C(C1=NC=CN=C1Cl)N AK-80835 [0,1,0,0,0,1|1,0,1]=4 502 B10R1.61 O=C(C1=NC=CN=C1I)O AK-30598 [0,1,0,0,0,1|1,0,1]=4 503 B10R1.61 O=C(C1=NC=CN=C1O)N AK-39215 [0,1,0,0,0,1|1,0,1]=4 504 B10R1.61 O=C(C1=NC=CNC1=O)O AK-30536 [0,1,0,0,0,1|1,0,1]=4 505 B10R1.61 O=C(C1=NC=NC=C1C)O AK140920 [0,1,0,0,0,1|1,0,1]=4 506 B10R1.61 O=C(N)C1=CC=CC=C1Br AK-47071 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.61 O=C(N)C1=CC=CC=C1Cl AK128986 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.61 O=C(N)C1=CC=CC=C1F AK161780 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.61 O=C(N)C1=CC=CC=C1I AK115884 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.61 O=C(N)C1=CC=CC=C1N AK109256 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.61 O=C(N)C1=CC=NC=C1C AK-29933 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.61 O=C(N)C1=CC=NC=C1N AK-77290 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.61 O=C(N)C1=NC=CC=C1C AK-48603 [0,1,0,0,0,1|1,0,1]=4 514 B10R1.61 O=C(N)C1=NC=CC=C1N AK-35369 [0,1,0,0,0,1|1,0,1]=4 515 B10R1.61 O=C(O)C1=C(N)N=CC=C1 AK-26982 [0,1,0,0,0,1|1,0,1]=4 516 B10R1.61 O=C(O)C1=C(S)N=CC=C1 AK-48961 [0,1,0,0,0,1|1,0,1]=4 517 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.61 O=C(O)C1=CC=NC=C1C AK-30383 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.61 O=C(O)C1=CC=NC=C1N AK-23678 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.61 O=C(O)C1=CC=NC=C1O AK-23523 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.61 O=C(O)C1=CN=CC=C1Br AK-25100 [0,1,0,0,0,1|1,0,1]=4 525 B10R1.61 O=C(O)C1=CN=CC=C1C AK-75600 [0,1,0,0,0,1|1,0,1]=4 526 B10R1.61 O=C(O)C1=NC=CC=C1I AK-29488 [0,1,0,0,0,1|1,0,1]=4 527 B10R1.61 O=C(O)C1=NC=CC=C1O AK-26380 [0,1,0,0,0,1|1,0,1]=4 528 B10R1.61 O=C1C(=CC=CN1)C(O)=O AK-47329 [0,1,0,0,0,1|1,0,0]=3 529 B10R1.61 O=C1C(=CNC=C1)C(=O)O AK-26174 [0,1,0,0,0,1|1,0,0]=3 530 B10R1.61 O=C1C(=CNC=C1)[N+](=O)[O-] AK-25459 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [0,1,0,0,0,1|0,0,0]=2 532 B10R1.61 O=C1C(C(C)=O)=CNC=C1 AK501394 [0,1,0,0,0,1|0,0,0]=2 533 B10R1.61 OC(=O)C1=CC=CN=C1Br AK-25846 [0,1,0,0,0,1|1,0,1]=4 534 B10R1.61 OC(=O)C1=CC=NNC1=O AK-89567 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.113 BrC1=CC(=CN=C1)C(=C)C AK-40102 [0,1,0,0,0,1|1,0,1]=4 538 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [0,1,0,0,0,1|0,0,1]=3 539 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [0,1,0,0,0,1|1,0,0]=3 540 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [0,1,0,0,0,1|0,0,1]=3 541 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [0,1,0,0,0,1|1,0,0]=3 542 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.113 C1=C(C=NC=C1Br)C(N)=O AK-34529 [0,1,0,0,0,1|1,0,1]=4 546 B10R1.113 C1=C(C=NC=C1C(O)=O)F AK-25931 [0,1,0,0,0,1|1,0,1]=4 547 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [0,1,0,0,0,1|1,0,1]=4 548 B10R1.113 C1=C(C=NC=C1Cl)C(O)=O AK-25160 [0,1,0,0,0,1|1,0,1]=4 549 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [0,1,0,0,0,1|1,0,1]=4 550 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [0,1,0,0,0,1|1,0,1]=4 551 B10R1.113 C1=NC=C(C=C1C(=O)N)N AK-26169 [0,1,0,0,0,1|1,0,1]=4 552 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [0,1,0,0,0,1|1,0,1]=4 553 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [0,1,0,0,0,1|1,0,1]=4 554 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [0,1,0,0,0,1|1,0,0]=3 555 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 AK100632 [0,1,0,0,0,1|0,0,1]=3 556 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [0,1,0,0,0,1|0,0,1]=3 557 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [0,1,0,0,0,1|1,0,0]=3 558 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [0,1,0,0,0,1|1,0,0]=3 559 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,1,0,0,0,1|1,0,0]=3 560 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [0,1,0,0,0,1|0,0,1]=3 561 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [0,1,0,0,0,1|0,0,1]=3 562 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,1,0,0,0,1|0,0,1]=3 563 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,1,0,0,0,1|0,0,1]=3 564 B10R1.113 CC(C1=NC=NC(C)=C1)=O AK-78932 [0,1,0,0,0,1|0,0,1]=3 565 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,1,0,0,0,1|0,0,1]=3 566 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [0,1,0,0,0,1|1,0,1]=4 567 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [0,1,0,0,0,1|1,0,1]=4 568 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [0,1,0,0,0,1|1,0,1]=4 569 B10R1.113 ClC1=NC=CC(=N1)C(=O)O AK-28365 [0,1,0,0,0,1|1,0,1]=4 570 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 AK-39096 [0,1,0,0,0,1|1,0,1]=4 571 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [0,1,0,0,0,1|1,0,0]=3 572 B10R1.113 NC1=CC=NC(=C1)C(=O)O AK-72771 [0,1,0,0,0,1|1,0,1]=4 573 B10R1.113 NC1=CN=CC(=C1)C(O)=O AK-34306 [0,1,0,0,0,1|1,0,1]=4 574 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [0,1,0,0,0,1|1,0,1]=4 575 B10R1.113 O=C(C1=CC(=O)N=CN1)O AK-24985 [0,1,0,0,0,1|1,0,0]=3 576 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [0,1,0,0,0,1|1,0,1]=4 577 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [0,1,0,0,0,1|1,0,0]=3 578 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [0,1,0,0,0,1|1,0,1]=4 579 B10R1.113 O=C(C1=NC(Br)=NC=C1)O AK145986 [0,1,0,0,0,1|1,0,1]=4 580 B10R1.113 O=C(C1=NC(Cl)=NC=C1)N AK107035 [0,1,0,0,0,1|1,0,1]=4 581 B10R1.113 O=C(C1=NC(N)=NC=C1)N AK145739 [0,1,0,0,0,1|1,0,1]=4 582 B10R1.113 O=C(C1=NC(N)=NC=C1)O AK-65335 [0,1,0,0,0,1|1,0,1]=4 583 B10R1.113 O=C(C1=NC=CC(Br)=C1)O AK-23753 [0,1,0,0,0,1|1,0,1]=4 584 B10R1.113 O=C(C1=NC=NC(C)=C1)O AK114394 [0,1,0,0,0,1|1,0,1]=4 585 B10R1.113 O=C(C1=NN=CC(Cl)=C1)O AK398901 [0,1,0,0,0,1|1,0,1]=4 586 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.113 O=C(N)C1=NC=CC(N)=C1 AK103735 [0,1,0,0,0,1|1,0,1]=4 590 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 AK-25583 [0,1,0,0,0,1|1,0,1]=4 599 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AK-28811 [0,1,0,0,0,1|1,0,1]=4 600 B10R1.113 O=C(O)C1=CN=CC(O)=C1 AK-25698 [0,1,0,0,0,1|1,0,1]=4 601 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AK-23768 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AK-30405 [0,1,0,0,0,1|1,0,1]=4 603 B10R1.113 O=C1NC(=CC=N1)C(=O)O AK-30175 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [0,1,0,0,0,1|1,0,1]=4 607 B10R1.113 OC(=O)C1=NC=NC(Cl)=C1 AK-29233 [0,1,0,0,0,1|1,0,1]=4 608 B10R1.23 O=C(O)[C@H](N)C1=CC=CS1 AK162653 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.54 CC(=O)NC1=CC=C(Br)S1 AK-86925 [0,1,0,0,0,1|1,0,0]=3 610 B10R1.54 CC(NC1=NNC(C)=C1)=O AK-86539 [0,1,0,0,0,1|1,0,1]=4 611 B10R1.11 C1=C(C(=O)OCC)SC=N1 AK-29162 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.11 C1=C([NH]C=N1)C(OCC)=O AK-25642 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O AK-39974 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [0,2,0,0,0,0|0,0,0]=2 615 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.11 O=C(C1=COC=N1)OCC AK-28248 [0,2,0,0,0,0|1,0,1]=4 618 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [0,2,0,0,0,0|1,0,1]=4 619 B10R1.11 O=C(C1=NNC=C1)OCC AK-45333 [0,2,0,0,0,0|1,0,1]=4 620 B10R1.14 C1=C(C(C=O)=O)SC(=C1)Br AK-10033 [0,2,0,0,0,0|1,0,1]=4 621 B10R1.14 C1=C(C(OC)=O)N=C(S1)N AK-15127 [0,2,0,0,0,0|1,0,1]=4 622 B10R1.14 C1=C(C(OC)=O)SC(=N1)Br AK-23911 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.14 C1=C(C(OC)=O)SC(=N1)N AK-23910 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.14 C1=C(N=C(S1)Br)C(=O)OC AK-21789 [0,2,0,0,0,0|1,0,1]=4 625 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [0,2,0,0,0,0|1,0,0]=3 626 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [0,2,0,0,0,0|0,0,0]=2 628 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [0,2,0,0,0,0|1,0,0]=3 629 B10R1.14 COC(=O)C1=CC(C)=NO1 AK-99990 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.14 COC(=O)C1=CC(NO1)=O AK-32642 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.14 COC(=O)C1=NNC(Br)=C1 AK109827 [0,2,0,0,0,0|1,0,1]=4 634 B10R1.14 COC(=O)C1=NNC(C)=C1 AK-77018 [0,2,0,0,0,0|1,0,1]=4 635 B10R1.14 ClC1=NC=C(S1)C(=O)OC AK-65059 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.14 NC1=CC(=N[NH]1)C(=O)OC AK-35933 [0,2,0,0,0,0|1,0,1]=4 637 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,2,0,0,0,0|0,0,0]=2 638 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,2,0,0,0,0|1,0,0]=3 642 B10R1.14 O=C(C1=CN=C(Br)O1)OC AK-75897 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.14 O=C(C1=CN=C(Cl)O1)OC AK-77391 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.14 O=C(C1=CN=C(N)S1)NC AK164189 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.14 O=C(C1=COC(Br)=N1)OC AK-41107 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.14 O=C(C1=COC(Cl)=N1)OC AK-36915 [0,2,0,0,0,0|1,0,1]=4 648 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.14 O=C(C1=NC(Br)=CS1)OC AK146642 [0,2,0,0,0,0|1,0,1]=4 650 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,2,0,0,0,0|1,0,1]=4 651 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,2,0,0,0,0|1,0,1]=4 652 B10R1.14 O=C(C1=NNC(O)=C1)OC AK-77271 [0,2,0,0,0,0|1,0,1]=4 653 B10R1.14 O=C(C1=NOC(C)=C1)NC AK686886 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.149 BrC1=C(N=CS1)C(=O)OC AK-22046 [0,2,0,0,0,0|1,0,1]=4 655 B10R1.149 C1=CSC(=C1C(OC)=O)N AK-26003 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.149 CC1=C(C=CS1)C(=O)OC AK-40494 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.149 CC1=C(SC=N1)C(=O)OC AK-27820 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.149 COC(=O)C1=C(Br)SC=C1 AK-68215 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.149 COC(=O)C1=C(C)C=CO1 AK-89345 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.149 COC(=O)C1=C(Cl)C=CN1 AK109924 [0,2,0,0,0,0|0,0,0]=2 661 B10R1.149 COC(=O)C1=CSC=C1Br AK102742 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.149 COC(=O)C1=NNC=C1I AK100557 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.149 COC(C1=N[NH]C=C1Br)=O AK-39576 [0,2,0,0,0,0|1,0,1]=4 664 B10R1.149 NC1=C(OC=C1)C(=O)OC AK-28297 [0,2,0,0,0,0|1,0,0]=3 665 B10R1.149 O=C(C1=C(Br)C=CS1)OC AK-24670 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.149 O=C(C1=C(C)C=CS1)OC AK-29549 [0,2,0,0,0,0|1,0,0]=3 667 B10R1.149 O=C(C1=C(Cl)N=CS1)OC AK501937 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.149 O=C(C1=C(F)C=CS1)OC AK-40928 [0,2,0,0,0,0|1,0,0]=3 669 B10R1.149 O=C(C1=C(N)C=CS1)OC AK-26736 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.149 O=C(C1=C(N)C=NN1)OC AK134904 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.149 O=C(C1=C(N)N=CS1)OC AK-24209 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.149 O=C(C1=C(O)C=CN1)OC AK123374 [0,2,0,0,0,0|0,0,0]=2 673 B10R1.149 O=C(C1=C(O)C=CS1)OC AK-41067 [0,2,0,0,0,0|1,0,0]=3 674 B10R1.149 O=C(C1=CC=NN1C)OC AK119024 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.149 O=C(C1=CNC=C1C)OC AK126219 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.149 O=C(C1=NC=CN1C)OC AK139738 [0,2,0,0,0,0|1,0,0]=3 677 B10R1.149 O=C(C1=NNC=C1N)OC AK-65279 [0,2,0,0,0,0|1,0,1]=4 678 B10R1.31 C1=C(OC(=C1)CO)C(=O)O AK-26213 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.31 CSC1=CC=C(S1)C(O)=O AK-34056 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.31 O=C(C1=CC(C#N)=CO1)O AK-42021 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.31 O=C(C1=CC=C(C=O)O1)O AK-58389 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.31 O=C(C1=CC=C(C=O)S1)O AK-35246 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.31 O=CC1=CC=C(C(C)=O)S1 AK110433 [0,2,0,0,0,0|1,0,0]=3 684 B10R1.31 OC(=O)C1=CC=C(O1)C#N AK-40423 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.58 O=C(C1=CC(Br)=C(Cl)S1)O AK127057 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.58 O=C(C1=CC(Cl)=C(Br)S1)O AK127116 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.58 O=C(C1=CC(Cl)=C(Cl)N1)N AK138105 [0,2,0,0,0,0|1,0,0]=3 688 B10R1.58 O=C(C1=CC(Cl)=C(Cl)S1)O AK-76939 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.58 O=C(C1=CC(N)=C(Br)S1)O AK-30179 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.58 OC(=O)C1=CC(Br)=C(Br)S1 AK-82334 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 AK-80296 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 AK104686 [0,2,0,0,0,0|1,0,1]=4 693 B10R1.59 CC(C1=C(Br)SC(Br)=C1)=O AK143157 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.59 CC(C1=C(C)C=C(C)O1)=O AK126891 [0,2,0,0,0,0|1,0,0]=3 695 B10R1.59 CC(C1=CC(C)=NN1C)=O AK-39987 [0,2,0,0,0,0|1,0,0]=3 696 B10R1.59 O=C(C1=C(Br)C=C(Cl)S1)O AK156001 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.59 O=C(C1=CC(Br)=CN1C)O AK101071 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.59 O=C(C1=CC(C)=NN1C)N AK-58611 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.59 O=C(C1=CC(C)=NN1C)O AK-29420 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.194 CC(C1=CNC(Br)=C1C)=O AK-25566 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.194 CC1=N[NH]C(=C1C)C(=O)O AK-75831 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.194 O=C(C1=C(C)C(C)=CS1)O AK-36791 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.194 O=C(C1=CC=C(Br)N1C)O AK-36608 [0,2,0,0,0,0|1,0,0]=3 704 B10R1.39 CCN1C=CC=C1C(C)=O AK-87978 [0,2,0,0,0,0|0,0,0]=2 705 B10R1.39 O=C(C1=CC=NN1CC)O AK-83430 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.39 O=C(C1=CN=CN1CC)O AK118722 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.192 O=C(C1=C(Br)C=NN1C)O AK124611 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.192 O=C(C1=C(I)C=NN1C)O AK112051 [0,2,0,0,0,0|2,0,0]=4 709 B8R1.4 BrC1=CC=CC(N)=N1 AK-25560 [0,0,1,1,0,0|2,0,0]=4 710 B8R1.4 C1=C(N=C(C=C1)Br)C AK-26079 [0,0,1,1,0,0|2,0,0]=4 711 B8R1.4 C1=C(N=C(C=C1)Cl)N AK-27165 [0,0,1,1,0,0|2,0,0]=4 712 B8R1.4 C1=CC=C(N=C1C)Cl AK-32452 [0,0,1,1,0,0|2,0,0]=4 713 B8R1.4 C1=CC=C(N=C1C)F AK-25943 [0,0,1,1,0,0|2,0,0]=4 714 B8R1.4 C1=CC=C(N=C1N)N AK-33251 [0,0,1,1,0,0|2,0,0]=4 715 B8R1.4 CC1=CC(I)=CC=C1 AK161788 [0,0,1,1,0,0|2,0,0]=4 716 B8R1.4 CC1=CC=CC(I)=N1 AK-35898 [0,0,1,1,0,0|2,0,0]=4 717 B8R1.4 CC1=CC=CC(N)=N1 AK-28918 [0,0,1,1,0,0|1,0,0]=3 718 B8R1.4 CC1=CN=CC(=N1)N AK-26646 [0,0,1,1,0,0|2,0,0]=4 719 B8R1.4 FC1=CC=CC(N)=N1 AK-28849 [0,0,1,1,0,0|2,0,0]=4 720 B8R1.4 NC1=CC(=NC=C1)C AK-28926 [0,0,1,1,0,0|2,0,0]=4 721 B8R1.4 NC1=CC=CC(I)=C1 AK-95998 [0,0,1,1,0,0|1,0,1]=4 722 B8R1.4 NC1=NC(C)=NC=C1 AK-30457 [0,0,1,1,0,0|2,0,0]=4 723 B8R1.4 NC1=NC(I)=CC=C1 AK-44440 [0,0,1,1,0,0|2,0,0]=4 724 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,0,1,1,0,0|2,0,0]=4 725 B8R1.4 O=C1C=CC=C(Cl)N1 AK-27743 [0,0,1,1,0,0|2,0,0]=4 726 B8R1.4 O=C1N=C(N)C=CN1 AK-77374 [0,0,1,1,0,0|2,0,0]=4 727 B8R1.4 O=C1N=C(N)NC=C1 AK-77015 [0,0,1,1,0,0|2,0,0]=4 728 B8R1.4 O=C1NC(=CC=C1)N AK-28666 [0,0,1,1,0,0|1,0,0]=3 729 B8R1.4 O=C1NC(=NC=C1)N AK-23592 [0,0,1,1,0,0|2,0,0]=4 730 B8R1.5 BrC1=CC=CN=C1C AK-25896 [0,0,1,1,0,0|2,0,0]=4 731 B8R1.5 C1=CC=CC(=C1N)I AK-46500 [0,0,1,1,0,0|1,0,1]=4 732 B8R1.5 C1=CN=CC(=C1C)N AK-27057 [0,0,1,1,0,0|2,0,0]=4 733 B8R1.5 C1=NC(=C(C=N1)N)C AK-28385 [0,0,1,1,0,0|2,0,0]=4 734 B8R1.5 CC1=CC=CC=C1I AK-77011 [0,0,1,1,0,0|2,0,0]=4 735 B8R1.5 CC1=CC=CNC1=O AK-32442 [0,0,1,1,0,0|2,0,0]=4 736 B8R1.5 CC1=NC=CC=C1F AK-33505 [0,0,1,1,0,0|2,0,0]=4 737 B8R1.5 ClC1=NC=CC=C1N AK-30071 [0,0,1,1,0,0|2,0,0]=4 738 B8R1.5 NC1=C(C)C=NC=C1 AK-25562 [0,0,1,1,0,0|2,0,0]=4 739 B8R1.5 NC1=CC=CN=C1Br AK-25918 [0,0,1,1,0,0|2,0,0]=4 740 B8R1.5 NC1=CC=CN=C1C AK-28661 [0,0,1,1,0,0|1,0,0]=3 741 B8R1.5 NC1=CC=CN=C1F AK-28850 [0,0,1,1,0,0|2,0,0]=4 742 B8R1.5 NC1=CC=CN=C1I AK-25585 [0,0,1,1,0,0|2,0,0]=4 743 B8R1.5 NC1=NC=CN=C1C AK-23583 [0,0,1,1,0,0|2,0,0]=4 744 B8R1.5 O=C1C(Br)=CC=CN1 AK-28771 [0,0,1,1,0,0|2,0,0]=4 745 B8R1.5 O=C1C(C)=NC=CN1 AK-24748 [0,0,1,1,0,0|2,0,0]=4 746 B8R1.5 O=C1C(N)=CC=CN1 AK-88485 [0,0,1,1,0,0|1,0,0]=3 747 B8R1.5 O=C1C(N)=NC=CN1 AK-23582 [0,0,1,1,0,0|2,0,0]=4 748 B8R1.5 O=C1C(O)=CC=CO1 AK-77266 [0,0,1,1,0,0|2,0,0]=4 749 B8R1.5 OC1=CC=CN=C1C AK-29777 [0,0,1,1,0,0|2,0,0]=4 750 B8R1.5 S=C1C(N)=CC=CN1 AK-79026 [0,0,1,1,0,0|1,1,0]=4 751 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [0,0,0,1,0,1|1,0,0]=3 752 B10R2.2 O=C1NC2=C(C=CS2)N1 AK167547 [0,0,0,1,0,1|2,0,0]=4 753 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.2 C1=CN=CC=C1OC AK-54547 [1,0,0,0,0,1|2,0,0]=4 755 B8R1.2 CNC1=CC=CN=C1 AK-72893 [1,0,0,0,0,1|1,0,1]=4 756 B8R1.2 CNC1=NC=CC=N1 AK-27708 [1,0,0,0,0,1|1,0,1]=4 757 B8R1.2 COC1=CC=CN=C1 AK-76565 [1,0,0,0,0,1|1,0,1]=4 758 B8R1.2 COC1=CC=CN=N1 AK-28954 [1,0,0,0,0,1|1,0,1]=4 759 B8R1.2 CSC1=NC=CN=C1 AK-41535 [1,0,0,0,0,1|1,0,1]=4 760 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [1,0,0,0,0,1|0,0,1]=3 761 B8R1.2 N1=CN=CC(=C1)C=O AK-25240 [1,0,0,0,0,1|1,0,1]=4 762 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [1,0,0,0,0,1|1,0,0]=3 763 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,0,2|1,0,0]=3 764 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,0,0,0,0,2|2,0,0]=4 765 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,0,0,0,0,2|1,0,1]=4 766 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,0,2|0,0,1]=3 767 B10R1.18 CC(NC1=NC=CC=N1)=O AK137493 [0,0,0,0,0,2|0,0,1]=3 768 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,0,2|2,0,0]=4 769 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,0,2|2,0,0]=4 770 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,0,0,0,0,2|1,0,1]=4 771 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,0,0,0,0,2|1,0,1]=4 772 B10R1.18 O=C(N)NC1=NC=CN=C1 AK321494 [0,0,0,0,0,2|1,0,1]=4 773 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,0,0,0,0,2|1,0,1]=4 774 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,0,2|1,0,1]=4 775 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [0,0,0,0,0,2|1,0,0]=3 776 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,0,0,0,0,2|1,0,0]=3 777 B10R1.66 O=C(O)CCC1=NC=CN1 AK-33774 [0,0,0,0,0,2|2,0,0]=4