0 B5R1.1 N1C=CN=C1 AK-68419 [0,0,0,0,0,0|1,0,0]=1 1 B5R1.1 N1CC=CC1 AK-35945 [0,0,0,0,0,0|0,0,2]=2 2 B5R1.1 N1N=CC=C1 AK-80047 [0,0,0,0,0,0|1,0,0]=1 3 B5R1.1 N1N=CN=C1 AK111541 [0,0,0,0,0,0|2,0,0]=2 4 B5R1.1 N1N=NC=C1 AK-82525 [0,0,0,0,0,0|2,0,0]=2 5 B5R1.1 S1CNCC1 AK340267 [0,0,0,0,0,0|1,0,3]=4 6 B5R1.1 [N-]1N=CN=C1 AK161856 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 BrC1=CSN=C1 AK-29054 [0,1,0,0,0,0|1,0,1]=3 8 B6R1.2 BrC1=NC=CN1 AK-60873 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 BrC1=NC=CS1 AK130463 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.2 BrC1=NC=NS1 AK-43226 [0,1,0,0,0,0|2,0,1]=4 11 B6R1.2 BrC1=NN=CS1 AK-28207 [0,1,0,0,0,0|2,0,1]=4 12 B6R1.2 BrC1=NOC=C1 AK-32851 [0,1,0,0,0,0|1,0,1]=3 13 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 C1=C(Br)SC=N1 AK-22153 [0,1,0,0,0,0|1,0,1]=3 15 B6R1.2 C1=C(Cl)[NH]C=N1 AK-39375 [0,1,0,0,0,0|1,0,0]=2 16 B6R1.2 C1=C(N=CS1)C AK-27071 [0,1,0,0,0,0|1,0,1]=3 17 B6R1.2 C1=C([NH]C=N1)Br AK-29028 [0,1,0,0,0,0|1,0,0]=2 18 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 C1=CN=C(Cl)S1 AK-21986 [0,1,0,0,0,0|1,0,1]=3 20 B6R1.2 C1=CN=C([NH]1)N AK-25424 [0,1,0,0,0,0|1,0,0]=2 21 B6R1.2 C1=CSC(=N1)C AK-25844 [0,1,0,0,0,0|1,0,1]=3 22 B6R1.2 C1=CSC=C1I AK-73044 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 C1=NC(=CS1)Br AK-23755 [0,1,0,0,0,0|1,0,1]=3 24 B6R1.2 C1=NC=C(I)[NH]1 AH-10005 [0,1,0,0,0,0|1,0,0]=2 25 B6R1.2 C1=NN=C[N]1N AK-47280 [0,1,0,0,0,0|2,0,0]=3 26 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.2 C1=N[NH]C(=N1)Br AK-40012 [0,1,0,0,0,0|2,0,0]=3 28 B6R1.2 C1=N[NH]C=C1Br AK-23744 [0,1,0,0,0,0|1,0,0]=2 29 B6R1.2 C1=N[NH]C=C1C AK-46480 [0,1,0,0,0,0|1,0,0]=2 30 B6R1.2 C1=N[NH]C=C1Cl AK-28843 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 C1=N[NH]C=C1I AK-39171 [0,1,0,0,0,0|1,0,0]=2 32 B6R1.2 C1=N[NH]C=C1N AK-23740 [0,1,0,0,0,0|1,0,0]=2 33 B6R1.2 C1=N[N](C=N1)C AK-51663 [0,1,0,0,0,0|2,0,0]=3 34 B6R1.2 CC1=CN=CS1 AK-40769 [0,1,0,0,0,0|1,0,1]=3 35 B6R1.2 CC1=CNC=C1 AK-59534 [0,1,0,0,0,0|0,0,0]=1 36 B6R1.2 CC1=CNN=N1 AK-38543 [0,1,0,0,0,0|2,0,0]=3 37 B6R1.2 CC1=NC=CN1 AK-76902 [0,1,0,0,0,0|1,0,0]=2 38 B6R1.2 CC1=NN=CO1 AK-50870 [0,1,0,0,0,0|2,0,1]=4 39 B6R1.2 CC1=NNC=N1 AK-46139 [0,1,0,0,0,0|2,0,0]=3 40 B6R1.2 CC1=NON=C1 AK-49621 [0,1,0,0,0,0|2,0,1]=4 41 B6R1.2 CN1C=CN=N1 AK-60587 [0,1,0,0,0,0|2,0,0]=3 42 B6R1.2 CN1C=NN=C1 AK321144 [0,1,0,0,0,0|2,0,0]=3 43 B6R1.2 ClC1=CC=NN1 AK132931 [0,1,0,0,0,0|1,0,0]=2 44 B6R1.2 ClC1=CSC=N1 AK-23769 [0,1,0,0,0,0|1,0,1]=3 45 B6R1.2 ClC1=NC=CN1 AK-60874 [0,1,0,0,0,0|1,0,0]=2 46 B6R1.2 ClC1=NC=NS1 AK-25892 [0,1,0,0,0,0|2,0,1]=4 47 B6R1.2 ClC1=NNC=C1 AK-64806 [0,1,0,0,0,0|1,0,0]=2 48 B6R1.2 ClC1=NNC=N1 AK-36097 [0,1,0,0,0,0|2,0,0]=3 49 B6R1.2 FC1=NC=CN1 AK143276 [0,1,0,0,0,0|1,0,0]=2 50 B6R1.2 IC1=CC=CS1 AK-77599 [0,1,0,0,0,0|1,0,0]=2 51 B6R1.2 IC1=CON=C1 AK-24636 [0,1,0,0,0,0|1,0,1]=3 52 B6R1.2 IC1=NN=CS1 AK109229 [0,1,0,0,0,0|2,0,1]=4 53 B6R1.2 IC1=NNC=C1 AK-31094 [0,1,0,0,0,0|1,0,0]=2 54 B6R1.2 N1=CC=C([NH]1)N AK-36860 [0,1,0,0,0,0|1,0,0]=2 55 B6R1.2 NC1=CC=NO1 AK-46390 [0,1,0,0,0,0|1,0,1]=3 56 B6R1.2 NC1=CN=CN1 AK110462 [0,1,0,0,0,0|1,0,0]=2 57 B6R1.2 NC1=CN=NS1 AK-68792 [0,1,0,0,0,0|2,0,1]=4 58 B6R1.2 NC1=CNN=C1 AK-24373 [0,1,0,0,0,0|1,0,0]=2 59 B6R1.2 NC1=CON=C1 AK-24626 [0,1,0,0,0,0|1,0,1]=3 60 B6R1.2 NC1=CON=C1 AK-24638 [0,1,0,0,0,0|1,0,1]=3 61 B6R1.2 NC1=CSC=N1 AK142332 [0,1,0,0,0,0|1,0,1]=3 62 B6R1.2 NC1=NC=CN1 AK112047 [0,1,0,0,0,0|1,0,0]=2 63 B6R1.2 NC1=NC=CO1 AK-25998 [0,1,0,0,0,0|1,0,1]=3 64 B6R1.2 NC1=NC=CS1 AK-44151 [0,1,0,0,0,0|1,0,1]=3 65 B6R1.2 NC1=NC=CS1 AK112070 [0,1,0,0,0,0|1,0,1]=3 66 B6R1.2 NC1=NC=NS1 AK136080 [0,1,0,0,0,0|2,0,1]=4 67 B6R1.2 NC1=NN=CS1 AK-31974 [0,1,0,0,0,0|2,0,1]=4 68 B6R1.2 NC1=NOC=C1 AK-25502 [0,1,0,0,0,0|1,0,1]=3 69 B6R1.2 NC1CC=CC1 AK-44792 [0,1,0,0,0,0|1,0,2]=4 70 B6R1.2 NN1C=CC=C1 AK-88561 [0,1,0,0,0,0|0,0,0]=1 71 B6R1.2 NN1C=CN=C1 AK187814 [0,1,0,0,0,0|1,0,0]=2 72 B6R1.2 NN1N=CC=C1 AK-31764 [0,1,0,0,0,0|1,0,0]=2 73 B6R1.2 O=C1CC=NN1 AK-90809 [0,1,0,0,0,0|1,0,1]=3 74 B6R1.2 O=C1CCNC1 AK-46584 [0,1,0,0,0,0|0,0,3]=4 75 B6R1.2 O=C1NC=CN1 AK-45238 [0,1,0,0,0,0|1,0,0]=2 76 B6R1.2 O=C1NNC=C1 AK-58738 [0,1,0,0,0,0|1,0,0]=2 77 B6R1.2 O=C1NNCC1 AK-46169 [0,1,0,0,0,0|1,0,2]=4 78 B6R1.2 O=C1NOCC1 AK122832 [0,1,0,0,0,0|1,0,2]=4 79 B6R1.2 O=C1NSC=C1 AK101140 [0,1,0,0,0,0|1,0,0]=2 80 B6R1.2 O=C1OCC=C1 AK163254 [0,1,0,0,0,0|1,0,1]=3 81 B6R1.2 O=C1OCCN1 AK-94050 [0,1,0,0,0,0|1,0,2]=4 82 B6R1.2 O=C1SCCN1 AK-89361 [0,1,0,0,0,0|1,0,2]=4 83 B6R1.2 OC1=NC=CS1 AK-29553 [0,1,0,0,0,0|1,0,1]=3 84 B6R1.2 OC1=NNC=C1 AK-96005 [0,1,0,0,0,0|1,0,0]=2 85 B6R1.2 ON1N=CC=C1 AK115932 [0,1,0,0,0,0|1,0,0]=2 86 B6R1.2 S1C(=CN=C1)N AK-28900 [0,1,0,0,0,0|1,0,1]=3 87 B6R1.2 S1C(=NC=N1)N AK-54916 [0,1,0,0,0,0|2,0,1]=4 88 B6R1.2 S=C1NC=CN1 AK134899 [0,1,0,0,0,0|1,0,0]=2 89 B6R1.2 SC1=NNC=N1 AK308496 [0,1,0,0,0,0|2,0,0]=3 90 B4R0.2 C=CCCN AK165308 [0,0,1,0,0,0|0,0,2]=3 91 B4R0.2 C=CC[Pd]Cl AK327212 [0,0,1,0,0,0|2,0,1]=4 92 B4R0.2 NOCC=C AK208821 [0,0,1,0,0,0|1,0,1]=3 93 B4R1.1 N1CCC1 AK-23880 [0,0,0,0,1,0|0,0,3]=4 94 B6R1.1 C1=CC=CC=C1 AK137956 [0,0,0,0,0,1|1,0,0]=2 95 B6R1.1 C1=NN=CC=C1 AK120859 [0,0,0,0,0,1|0,0,1]=2 96 B6R1.1 C1CC=CCN1 AK-91689 [0,0,0,0,0,1|0,0,2]=3 97 B6R1.1 N1=CN=CN=C1 AK108407 [0,0,0,0,0,1|1,0,1]=3 98 B5R0.1 NOCC(C)=C AK550273 [0,1,1,0,0,0|1,0,1]=4 99 B5R0.3 C=CC(NC)=O AK115593 [0,1,1,0,0,0|0,0,1]=3 100 B5R0.3 NOC(C=C)C AK550274 [0,1,1,0,0,0|1,0,1]=4 101 B5R1.2 O=C1CNC1 AK-59488 [0,1,0,0,1,0|0,0,2]=4 102 B5R1.2 O=C1NCC1 AK-36897 [0,1,0,0,1,0|0,0,2]=4 103 B7R1.3 BrC1=CC=NC=C1 AK-47562 [0,1,0,0,0,1|0,0,1]=3 104 B7R1.3 BrC1=NC=CC=N1 AK-41165 [0,1,0,0,0,1|0,0,1]=3 105 B7R1.3 BrC1=NC=CN=C1 AK-21911 [0,1,0,0,0,1|0,0,1]=3 106 B7R1.3 C1=C(C)C=NC=N1 AK-30562 [0,1,0,0,0,1|0,0,1]=3 107 B7R1.3 C1=C(C)C=NN=C1 AK-30760 [0,1,0,0,0,1|0,0,1]=3 108 B7R1.3 C1=C(C=NC=N1)N AK-23967 [0,1,0,0,0,1|0,0,1]=3 109 B7R1.3 C1=C(C=NN=C1)N AK-23741 [0,1,0,0,0,1|0,0,1]=3 110 B7R1.3 C1=C(Cl)C=CN=C1 AK-50078 [0,1,0,0,0,1|0,0,1]=3 111 B7R1.3 C1=CC=NN=C1N AK-21777 [0,1,0,0,0,1|0,0,1]=3 112 B7R1.3 C1=CC=NN=C1N AK-23968 [0,1,0,0,0,1|0,0,1]=3 113 B7R1.3 C1=CN=CN=C1N AK-24798 [0,1,0,0,0,1|0,0,1]=3 114 B7R1.3 C1=NC=NC=C1Br AK-46790 [0,1,0,0,0,1|0,0,1]=3 115 B7R1.3 CC1=CN=CC=N1 AK-88672 [0,1,0,0,0,1|0,0,1]=3 116 B7R1.3 CC1=NC=NC=C1 AK-34763 [0,1,0,0,0,1|0,0,1]=3 117 B7R1.3 ClC1=CC=NN=C1 AK-76794 [0,1,0,0,0,1|0,0,1]=3 118 B7R1.3 ClC1=CN=CN=C1 AK-26627 [0,1,0,0,0,1|0,0,1]=3 119 B7R1.3 ClC1=NC=CC=N1 AK-80229 [0,1,0,0,0,1|0,0,1]=3 120 B7R1.3 ClC1=NC=NC=C1 AK-87917 [0,1,0,0,0,1|0,0,1]=3 121 B7R1.3 FC1=CC=NC=C1 AK-61793 [0,1,0,0,0,1|0,0,1]=3 122 B7R1.3 FC1=CN=CN=C1 AK-30119 [0,1,0,0,0,1|0,0,1]=3 123 B7R1.3 IC1=CC=CC=C1 AK-88660 [0,1,0,0,0,1|1,0,0]=3 124 B7R1.3 IC1=CC=CN=C1 AK-46371 [0,1,0,0,0,1|0,0,1]=3 125 B7R1.3 IC1=CC=NC=C1 AK-47904 [0,1,0,0,0,1|0,0,1]=3 126 B7R1.3 IC1=CN=CC=N1 AK-23638 [0,1,0,0,0,1|0,0,1]=3 127 B7R1.3 IC1=CN=CN=C1 AK-24277 [0,1,0,0,0,1|0,0,1]=3 128 B7R1.3 IC1=NC=CC=C1 AK-43060 [0,1,0,0,0,1|0,0,1]=3 129 B7R1.3 IC1=NC=CC=N1 AK-51554 [0,1,0,0,0,1|0,0,1]=3 130 B7R1.3 N1=CN=C(C=C1)O AK-25153 [0,1,0,0,0,1|0,0,1]=3 131 B7R1.3 NC1=CC=NN=C1 AK170584 [0,1,0,0,0,1|0,0,1]=3 132 B7R1.3 NC1=NC=CC=N1 AK-72832 [0,1,0,0,0,1|0,0,1]=3 133 B7R1.3 NC1=NC=CN=C1 AK-24896 [0,1,0,0,0,1|0,0,1]=3 134 B7R1.3 NC1=NC=CN=N1 AK-39292 [0,1,0,0,0,1|1,0,1]=4 135 B7R1.3 O=C1C=CC=NN1 AK-29318 [0,1,0,0,0,1|0,0,0]=2 136 B7R1.3 O=C1C=COC=C1 AK110934 [0,1,0,0,0,1|1,0,0]=3 137 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,0,0,1|1,0,1]=4 138 B7R1.3 O=C1NC=CN=C1 AK-24500 [0,1,0,0,0,1|0,0,0]=2 139 B7R1.3 O=C1NC=NC=C1 Ak-75843 [0,1,0,0,0,1|0,0,0]=2 140 B7R1.3 O=C1NCCC=C1 AK110027 [0,1,0,0,0,1|0,0,1]=3 141 B7R1.3 OC1=CC=CN=C1 AK-44238 [0,1,0,0,0,1|0,0,1]=3 142 B7R1.3 OC1=CC=NC=C1 AK110406 [0,1,0,0,0,1|0,0,1]=3 143 B7R1.3 OC1=CN=CN=C1 AK-28351 [0,1,0,0,0,1|0,0,1]=3 144 B7R1.3 OC1=CN=NC=C1 AK-28962 [0,1,0,0,0,1|0,0,1]=3 145 B7R1.3 OC1=NC=CC=N1 AK-41674 [0,1,0,0,0,1|0,0,1]=3 146 B7R1.3 OC1=NC=CC=N1 AK-49044 [0,1,0,0,0,1|0,0,1]=3 147 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [0,1,0,0,0,1|1,0,0]=3 148 B7R1.1 BrCC1=CSC=N1 AK158849 [0,2,0,0,0,0|1,0,1]=4 149 B7R1.1 BrCC1=NC=CN1 AK142906 [0,2,0,0,0,0|1,0,0]=3 150 B7R1.1 C(#N)C1=NC=CS1 AK-24120 [0,2,0,0,0,0|1,0,1]=4 151 B7R1.1 C1=C(C#N)C=CS1 AK-50641 [0,2,0,0,0,0|1,0,0]=3 152 B7R1.1 C1=C(N=CS1)C=O AK-23930 [0,2,0,0,0,0|1,0,1]=4 153 B7R1.1 C1=C(SC=C1)C#N AK-46367 [0,2,0,0,0,0|1,0,0]=3 154 B7R1.1 C1=C(SC=C1)C=O AK-26482 [0,2,0,0,0,0|1,0,0]=3 155 B7R1.1 C1=C(SC=N1)CO AK-23792 [0,2,0,0,0,0|1,0,1]=4 156 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [0,2,0,0,0,0|1,0,0]=3 157 B7R1.1 C1=CC=N[N]1CO AK-21910 [0,2,0,0,0,0|1,0,0]=3 158 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [0,2,0,0,0,0|1,0,0]=3 159 B7R1.1 C1=CSC(=N1)C=O AK-46309 [0,2,0,0,0,0|1,0,1]=4 160 B7R1.1 C1=NC(=CS1)C#N AK-24730 [0,2,0,0,0,0|1,0,1]=4 161 B7R1.1 C1=NC(=CS1)CO AK-23714 [0,2,0,0,0,0|1,0,1]=4 162 B7R1.1 C1=N[NH]C(=N1)C#N AK-26793 [0,2,0,0,0,0|2,0,0]=4 163 B7R1.1 C1=N[NH]C=C1CO AK-29936 [0,2,0,0,0,0|1,0,0]=3 164 B7R1.1 C=CC1=NC=CS1 AK251551 [0,2,0,0,0,0|1,0,1]=4 165 B7R1.1 CCC1=CC=CS1 AK-76635 [0,2,0,0,0,0|1,0,0]=3 166 B7R1.1 CCC1=NC=CN1 AK161825 [0,2,0,0,0,0|1,0,0]=3 167 B7R1.1 CCC1=NNC=N1 AK124531 [0,2,0,0,0,0|2,0,0]=4 168 B7R1.1 CCN1C=CN=C1 AK-47598 [0,2,0,0,0,0|1,0,0]=3 169 B7R1.1 CCN1N=CC=C1 AK-39994 [0,2,0,0,0,0|1,0,0]=3 170 B7R1.1 CNC1=NC=CS1 AK-32595 [0,2,0,0,0,0|1,0,1]=4 171 B7R1.1 COC1=CC=CS1 AK-60885 [0,2,0,0,0,0|1,0,0]=3 172 B7R1.1 COC1=CNN=C1 AK200730 [0,2,0,0,0,0|1,0,0]=3 173 B7R1.1 COC1=CSC=C1 AK-60944 [0,2,0,0,0,0|1,0,0]=3 174 B7R1.1 COC1=NC=CS1 AK-46322 [0,2,0,0,0,0|1,0,1]=4 175 B7R1.1 ClCC1=CN=CO1 AK143331 [0,2,0,0,0,0|1,0,1]=4 176 B7R1.1 ClCC1=CN=CS1 AK-94779 [0,2,0,0,0,0|1,0,1]=4 177 B7R1.1 ClCC1=NC=CO1 AK-33839 [0,2,0,0,0,0|1,0,1]=4 178 B7R1.1 N#CC1=CNC=C1 AK-46080 [0,2,0,0,0,0|0,0,0]=2 179 B7R1.1 N#CC1=CNC=N1 AK-35688 [0,2,0,0,0,0|1,0,0]=3 180 B7R1.1 N#CC1=CNN=C1 AK-23770 [0,2,0,0,0,0|1,0,0]=3 181 B7R1.1 N#CC1=CSN=C1 AK163753 [0,2,0,0,0,0|1,0,1]=4 182 B7R1.1 N#CC1=NC=CN1 AK-81383 [0,2,0,0,0,0|1,0,0]=3 183 B7R1.1 NCC1=CC=CN1 AK-39872 [0,2,0,0,0,0|0,0,0]=2 184 B7R1.1 NCC1=CC=CS1 AK-46394 [0,2,0,0,0,0|1,0,0]=3 185 B7R1.1 NCC1=CN=CO1 AK-25086 [0,2,0,0,0,0|1,0,1]=4 186 B7R1.1 NCC1=CN=CS1 AK-24530 [0,2,0,0,0,0|1,0,1]=4 187 B7R1.1 NCC1=CNC=C1 AK-67638 [0,2,0,0,0,0|0,0,0]=2 188 B7R1.1 NCC1=CNC=N1 AK-33143 [0,2,0,0,0,0|1,0,0]=3 189 B7R1.1 NCC1=CSC=C1 AK-28306 [0,2,0,0,0,0|1,0,0]=3 190 B7R1.1 NCC1=CSC=C1 AK-48092 [0,2,0,0,0,0|1,0,0]=3 191 B7R1.1 NCC1=NC=CO1 AK-48266 [0,2,0,0,0,0|1,0,1]=4 192 B7R1.1 NCC1=NC=CS1 AK-26128 [0,2,0,0,0,0|1,0,1]=4 193 B7R1.1 NCC1=NC=CS1 AK-95677 [0,2,0,0,0,0|1,0,1]=4 194 B7R1.1 NCC1=NNC=C1 AK-25875 [0,2,0,0,0,0|1,0,0]=3 195 B7R1.1 NCC1=NNC=N1 AK199214 [0,2,0,0,0,0|2,0,0]=4 196 B7R1.1 NNC1=NC=CS1 AK162847 [0,2,0,0,0,0|1,0,1]=4 197 B7R1.1 O=CC1=CC=CN1 AK-25235 [0,2,0,0,0,0|0,0,0]=2 198 B7R1.1 O=CC1=CN=CS1 AK-39378 [0,2,0,0,0,0|1,0,1]=4 199 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,2,0,0,0,0|0,0,0]=2 200 B7R1.1 O=CC1=CNN=C1 AK-25836 [0,2,0,0,0,0|1,0,0]=3 201 B7R1.1 O=CC1=CNN=C1 AK158761 [0,2,0,0,0,0|1,0,0]=3 202 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,2,0,0,0,0|1,0,0]=3 203 B7R1.1 OCC1=CC=CS1 AK-93468 [0,2,0,0,0,0|1,0,0]=3 204 B7R1.1 OCC1=CC=NO1 AK-68490 [0,2,0,0,0,0|1,0,1]=4 205 B7R1.1 OCC1=CN=CO1 AK-25343 [0,2,0,0,0,0|1,0,1]=4 206 B7R1.1 OCC1=COC=C1 AK-46116 [0,2,0,0,0,0|1,0,0]=3 207 B7R1.1 OCC1=CSC=C1 AK-36199 [0,2,0,0,0,0|1,0,0]=3 208 B7R1.1 OCC1=NC=CN1 AK-44944 [0,2,0,0,0,0|1,0,0]=3 209 B7R1.1 OCC1=NC=CO1 AK-29821 [0,2,0,0,0,0|1,0,1]=4 210 B7R1.1 OCC1=NC=NN1 AK173322 [0,2,0,0,0,0|2,0,0]=4 211 B7R1.1 OCC1=NOC=C1 AK-25087 [0,2,0,0,0,0|1,0,1]=4 212 B7R1.1 OCN1N=CN=C1 AK132964 [0,2,0,0,0,0|2,0,0]=4 213 B7R1.1 [NH]1C=CC(=N1)C#N AK-30564 [0,2,0,0,0,0|1,0,0]=3 214 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,2,0,0,0,0|1,0,0]=3 215 B7R1.2 BrC1=CN=C(N)S1 AK-26181 [0,2,0,0,0,0|1,0,1]=4 216 B7R1.2 BrC1=CSC(=C1)C AK-28080 [0,2,0,0,0,0|1,0,0]=3 217 B7R1.2 BrC1=NC=C(S1)C AK-23612 [0,2,0,0,0,0|1,0,1]=4 218 B7R1.2 BrC1=NC=C(S1)Cl AK-30271 [0,2,0,0,0,0|1,0,1]=4 219 B7R1.2 C1(=N[NH]C(=N1)Br)Br AK-28633 [0,2,0,0,0,0|2,0,0]=4 220 B7R1.2 C1=C(Br)C=N[N]1C AK-26682 [0,2,0,0,0,0|1,0,0]=3 221 B7R1.2 C1=C(Br)SC(=C1)Br AK-46301 [0,2,0,0,0,0|1,0,0]=3 222 B7R1.2 C1=C(C)N=C(N)S1 AK-33524 [0,2,0,0,0,0|1,0,1]=4 223 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [0,2,0,0,0,0|1,0,1]=4 224 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,2,0,0,0,0|1,0,0]=3 225 B7R1.2 C1=C(N=C(Br)S1)Br AK-27022 [0,2,0,0,0,0|1,0,1]=4 226 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [0,2,0,0,0,0|1,0,1]=4 227 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,2,0,0,0,0|1,0,0]=3 228 B7R1.2 C1=C(SC(=N1)Br)Br AK-35104 [0,2,0,0,0,0|1,0,1]=4 229 B7R1.2 C1=C(SC(=N1)N)C AK-26992 [0,2,0,0,0,0|1,0,1]=4 230 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [0,2,0,0,0,0|1,0,0]=3 231 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,2,0,0,0,0|1,0,0]=3 232 B7R1.2 C1=C[N](N=C1N)C AK-25543 [0,2,0,0,0,0|1,0,0]=3 233 B7R1.2 C1=N[N](C=C1C)C AK-47523 [0,2,0,0,0,0|1,0,0]=3 234 B7R1.2 CC1=CC(Br)=NN1 AK-49142 [0,2,0,0,0,0|1,0,0]=3 235 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [0,2,0,0,0,0|1,0,1]=4 236 B7R1.2 CC1=CC(I)=NN1 AK100667 [0,2,0,0,0,0|1,0,0]=3 237 B7R1.2 CC1=CC(N)=NO1 AK-32792 [0,2,0,0,0,0|1,0,1]=4 238 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [0,2,0,0,0,0|1,0,1]=4 239 B7R1.2 CC1=CNC(I)=N1 AK113414 [0,2,0,0,0,0|1,0,0]=3 240 B7R1.2 CC1=CSC(Br)=N1 AK-23607 [0,2,0,0,0,0|1,0,1]=4 241 B7R1.2 CC1=NC=C(I)[NH]1 AK-32021 [0,2,0,0,0,0|1,0,0]=3 242 B7R1.2 CC1=NN=C(C)N1 AK-32124 [0,2,0,0,0,0|2,0,0]=4 243 B7R1.2 CC1=NNC(Br)=C1 AK100666 [0,2,0,0,0,0|1,0,0]=3 244 B7R1.2 CC1=NNC(Cl)=C1 AK-80228 [0,2,0,0,0,0|1,0,0]=3 245 B7R1.2 CC1=NNC(N)=C1 AK111310 [0,2,0,0,0,0|1,0,0]=3 246 B7R1.2 CC1=NOC(N)=C1 AK-33327 [0,2,0,0,0,0|1,0,1]=4 247 B7R1.2 CN1C=C(I)N=C1 AK-29464 [0,2,0,0,0,0|1,0,0]=3 248 B7R1.2 CN1C=CC(I)=N1 AK-86815 [0,2,0,0,0,0|1,0,0]=3 249 B7R1.2 CN1N=C(Br)C=C1 AK-28794 [0,2,0,0,0,0|1,0,0]=3 250 B7R1.2 CN1N=C(Br)N=C1 AK-88726 [0,2,0,0,0,0|2,0,0]=4 251 B7R1.2 CN1N=CC(I)=C1 AK-54604 [0,2,0,0,0,0|1,0,0]=3 252 B7R1.2 CN1N=NC(Br)=C1 AK-57913 [0,2,0,0,0,0|2,0,0]=4 253 B7R1.2 C[N+]1=CN(C)C=C1 AK113093 [0,2,0,0,0,0|1,0,0]=3 254 B7R1.2 C[N+]1=CN(N)C=N1 AK127265 [0,2,0,0,0,0|2,0,0]=4 255 B7R1.2 C[N+]1=CN(N)C=N1 AK340879 [0,2,0,0,0,0|2,0,0]=4 256 B7R1.2 C[N]1C=C(C=N1)N AK-30314 [0,2,0,0,0,0|1,0,0]=3 257 B7R1.2 ClC1=CC=C(Cl)S1 AK112943 [0,2,0,0,0,0|1,0,0]=3 258 B7R1.2 ClC1=CC=C(I)S1 AK-82112 [0,2,0,0,0,0|1,0,0]=3 259 B7R1.2 ClC1=CSC(Br)=N1 AK128270 [0,2,0,0,0,0|1,0,1]=4 260 B7R1.2 ClC1=C[N](N=C1)C AK-49050 [0,2,0,0,0,0|1,0,0]=3 261 B7R1.2 ClC1=NC(=CS1)Cl AK-23570 [0,2,0,0,0,0|1,0,1]=4 262 B7R1.2 NC1=CC(Br)=NN1 AK-48862 [0,2,0,0,0,0|1,0,0]=3 263 B7R1.2 NC1=CC(Cl)=NN1 AK100252 [0,2,0,0,0,0|1,0,0]=3 264 B7R1.2 NC1=CN(C)C=N1 AK-77405 [0,2,0,0,0,0|1,0,0]=3 265 B7R1.2 NC1=CN(C)N=C1 AK-40078 [0,2,0,0,0,0|1,0,0]=3 266 B7R1.2 NC1=CN=C(C)S1 AK-85981 [0,2,0,0,0,0|1,0,1]=4 267 B7R1.2 NC1=CSC(Br)=N1 AK-54917 [0,2,0,0,0,0|1,0,1]=4 268 B7R1.2 NC1=CSC(C)=N1 AK165023 [0,2,0,0,0,0|1,0,1]=4 269 B7R1.2 NC1=NC(=CS1)Br AK-24535 [0,2,0,0,0,0|1,0,1]=4 270 B7R1.2 NC1=NC(=O)NN1 AK-89575 [0,2,0,0,0,0|2,0,0]=4 271 B7R1.2 NC1=NC(N)=CS1 AK-68884 [0,2,0,0,0,0|1,0,1]=4 272 B7R1.2 NC1=NC=C(Br)S1 AK-44331 [0,2,0,0,0,0|1,0,1]=4 273 B7R1.2 NC1=NC=C(F)S1 AK-37762 [0,2,0,0,0,0|1,0,1]=4 274 B7R1.2 NC1=NN(C)C=N1 AK105396 [0,2,0,0,0,0|2,0,0]=4 275 B7R1.2 NC1=NNC(Br)=N1 AK-64904 [0,2,0,0,0,0|2,0,0]=4 276 B7R1.2 NC1=NNC(C)=C1 AK-29128 [0,2,0,0,0,0|1,0,0]=3 277 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,2,0,0,0,0|1,0,0]=3 278 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,2,0,0,0,0|1,0,1]=4 279 B7R1.2 O=C1CC(N)=NN1 AK-26757 [0,2,0,0,0,0|1,0,1]=4 280 B7R1.2 O=C1COC(C)=C1 AK142223 [0,2,0,0,0,0|1,0,1]=4 281 B7R1.2 O=C1NC(CC1)=O AK550047 [0,2,0,0,0,0|0,0,2]=4 282 B7R1.2 O=C1NC(CN1)=O AK307300 [0,2,0,0,0,0|1,0,1]=4 283 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,2,0,0,0,0|1,0,1]=4 284 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,2,0,0,0,0|1,0,0]=3 285 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,2,0,0,0,0|1,0,0]=3 286 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,2,0,0,0,0|1,0,0]=3 287 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,2,0,0,0,0|1,0,1]=4 288 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,2,0,0,0,0|1,0,1]=4 289 B7R1.2 OC1=CN(C)N=C1 AK311462 [0,2,0,0,0,0|1,0,0]=3 290 B7R1.2 OC1=NC(Br)=CS1 AK112691 [0,2,0,0,0,0|1,0,1]=4 291 B7R1.2 OC1=NSC(Cl)=C1 AK-80655 [0,2,0,0,0,0|1,0,1]=4 292 B7R1.4 BrC1=C(Br)N=NN1 AK-33426 [0,2,0,0,0,0|2,0,0]=4 293 B7R1.4 BrC1=C(I)SC=C1 AK-81714 [0,2,0,0,0,0|1,0,0]=3 294 B7R1.4 BrC1=CC=N[N]1C AK-34841 [0,2,0,0,0,0|1,0,0]=3 295 B7R1.4 BrC1=CSC=C1I AK-82208 [0,2,0,0,0,0|1,0,0]=3 296 B7R1.4 C1=C(Br)C(=CS1)Br AK-46302 [0,2,0,0,0,0|1,0,0]=3 297 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [0,2,0,0,0,0|1,0,0]=3 298 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,2,0,0,0,0|1,0,0]=3 299 B7R1.4 C1=CSC(=C1Br)Br AK-25755 [0,2,0,0,0,0|1,0,0]=3 300 B7R1.4 C1=N[NH]C(=C1Br)N AK-23671 [0,2,0,0,0,0|1,0,0]=3 301 B7R1.4 CC1=C(Br)C=NO1 AK112982 [0,2,0,0,0,0|1,0,1]=4 302 B7R1.4 CC1=C(Br)NC=N1 AK-92496 [0,2,0,0,0,0|1,0,0]=3 303 B7R1.4 CC1=C(Br)NN=N1 AK109316 [0,2,0,0,0,0|2,0,0]=4 304 B7R1.4 CC1=C(Br)SC=N1 AK-40873 [0,2,0,0,0,0|1,0,1]=4 305 B7R1.4 CC1=C(C)N=CN1 AK157739 [0,2,0,0,0,0|1,0,0]=3 306 B7R1.4 CC1=C(C)N=CS1 AK-46395 [0,2,0,0,0,0|1,0,1]=4 307 B7R1.4 CC1=C(I)NC=N1 AK128524 [0,2,0,0,0,0|1,0,0]=3 308 B7R1.4 CC1=CC=NN1C AK-36127 [0,2,0,0,0,0|1,0,0]=3 309 B7R1.4 CC1=CNN=C1C AK111434 [0,2,0,0,0,0|1,0,0]=3 310 B7R1.4 CC1=CNN=C1C AK117330 [0,2,0,0,0,0|1,0,0]=3 311 B7R1.4 CC1=CSC=C1Br AK-34597 [0,2,0,0,0,0|1,0,0]=3 312 B7R1.4 CC1=CSC=C1C AK-45919 [0,2,0,0,0,0|1,0,0]=3 313 B7R1.4 CC1=NNC=C1Br AK-24746 [0,2,0,0,0,0|1,0,0]=3 314 B7R1.4 CC1=NNC=C1I AK-73045 [0,2,0,0,0,0|1,0,0]=3 315 B7R1.4 CN1C(I)=CN=C1 AK-36203 [0,2,0,0,0,0|1,0,0]=3 316 B7R1.4 CN1C=CN=C1C AK-60401 [0,2,0,0,0,0|1,0,0]=3 317 B7R1.4 CN1C=CN=C1Cl AK-79282 [0,2,0,0,0,0|1,0,0]=3 318 B7R1.4 CN1C=CN=C1I AK-34893 [0,2,0,0,0,0|1,0,0]=3 319 B7R1.4 CN1C=NC=C1Br AK-32615 [0,2,0,0,0,0|1,0,0]=3 320 B7R1.4 CN1N=CN=C1Br AK-49045 [0,2,0,0,0,0|2,0,0]=4 321 B7R1.4 ClC1=C(Br)C=CS1 AK-25922 [0,2,0,0,0,0|1,0,0]=3 322 B7R1.4 ClC1=C(Br)SC=C1 AK-93781 [0,2,0,0,0,0|1,0,0]=3 323 B7R1.4 IC1=C(I)N=CN1 AK-28835 [0,2,0,0,0,0|1,0,0]=3 324 B7R1.4 IC1=CC=N[N]1C AK-34754 [0,2,0,0,0,0|1,0,0]=3 325 B7R1.4 NC1=CN=CN1C AK128338 [0,2,0,0,0,0|1,0,0]=3 326 B7R1.4 NC1=CNN=C1Br AK145116 [0,2,0,0,0,0|1,0,0]=3 327 B7R1.4 NC1=CNN=C1Cl AK120335 [0,2,0,0,0,0|1,0,0]=3 328 B7R1.4 NC1=CNN=C1Cl AK144425 [0,2,0,0,0,0|1,0,0]=3 329 B7R1.4 NC1=NC=CN1C AK-36047 [0,2,0,0,0,0|1,0,0]=3 330 B7R1.4 NC1=NC=CN1C AK125047 [0,2,0,0,0,0|1,0,0]=3 331 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,2,0,0,0,0|1,0,1]=4 332 B7R1.4 O=C1CC=NN1C AK128438 [0,2,0,0,0,0|1,0,1]=4 333 B7R1.4 O=C1N(C)NC=C1 AK113037 [0,2,0,0,0,0|1,0,0]=3 334 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,2,0,0,0,0|1,0,0]=3 335 B7R1.4 O=C1NC=CN1C AK317267 [0,2,0,0,0,0|1,0,0]=3 336 B7R1.4 OC1=CC=N[N]1C AK-39760 [0,2,0,0,0,0|1,0,0]=3