0 B9R1.23 NC1=CN(CC)N=C1C AK488098 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.23 NCC1=NN(C)C(C)=C1 AK-85664 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.23 O=CC1=NC(C)=C(C)S1 AK-64606 [0,0,0,0,0,0|1,1,1]=3 3 B9R1.23 OCC1=NN(C)C(C)=C1 AK-51125 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 CC1=CC(CO)=NO1 AK-29211 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.1 CC1=CN=C(CC)N1 AK161824 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.1 CC1=CSC(C#C)=N1 AK150653 [1,0,0,0,0,0|0,1,2]=4 7 B8R1.1 CC1=CSC(CC)=N1 AK114234 [1,0,0,0,0,0|0,1,0]=2 8 B8R1.1 CC1=NC(CBr)=CS1 AK174562 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.1 CC1=NC(CCl)=NO1 AK-23662 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.1 CC1=NOC(CBr)=C1 AK-86975 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.1 CC1=NOC(CO)=C1 AK105202 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,0,0,0,0,0|1,1,0]=3 13 B8R1.1 CCN1N=CC(Br)=C1 AK-61918 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.1 CN1C=C(CCl)N=C1 AK142814 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.1 C[N]1C=NC(=N1)CO AK-42048 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.1 NC1=CC(CC)=NN1 AK-31629 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 NC1=CC(CC)=NO1 AK-86600 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.1 NC1=NOC(CC)=C1 AK173167 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.1 NCC1=COC(C)=N1 AK668192 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 NCC1=NOC(C)=C1 AK153364 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 NCC1=NOC(C)=N1 AK184311 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.1 OCC1=CC=C(C)O1 AK135169 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.1 OCC1=CN(C)C=N1 AK-44293 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 OCC1=CN=C(C)O1 AK154941 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [1,0,0,0,0,0|1,1,0]=3 27 B8R1.1 OCC1=NN(C)C=C1 AK139734 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.1 OCC1=NN=C(C)S1 AK343138 [1,0,0,0,0,0|2,1,0]=4 29 B8R1.18 BrC1=NC(=C(S1)C)C AK-40981 [1,0,0,0,0,0|1,1,0]=3 30 B8R1.18 CC1=C(Br)N=C(Br)S1 AK100270 [1,0,0,0,0,0|2,1,0]=4 31 B8R1.18 CC1=C(Br)N=C(N)S1 AK-76836 [1,0,0,0,0,0|2,1,0]=4 32 B8R1.18 CC1=C(C)N=C(N)S1 AK-34230 [1,0,0,0,0,0|1,1,0]=3 33 B8R1.18 CC1=C(N=C([NH]1)Br)Br AK-28997 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.18 CC1=CC(Br)=NN1C AK142229 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.18 CC1=CC(C)=NN1C AK-32793 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.18 CC1=NC(C)=C(C)S1 AK-58544 [1,0,0,0,0,0|0,1,0]=2 38 B8R1.18 CC1=NN(C)C=C1I AK501768 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.18 CC1=NN(C)N=C1Br AK-38687 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.18 CN1N=C(C)C=C1N AK-44339 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.18 C[N]1C(=CC(=N1)C)O AK-39754 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.18 NC1=CN(C)N=C1C AK117155 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.18 NC1=NC(=C(S1)Br)C AK-23596 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.18 NC1=NC(=C(S1)Br)C AK-23597 [1,0,0,0,0,0|2,1,0]=4 46 B8R1.18 NC1=NC(C)=C(C)S1 AK-93474 [1,0,0,0,0,0|1,1,0]=3 47 B8R1.18 NC1=NN(C)C(C)=C1 AK-81604 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.34 O=C1C(CC)OC(C)=C1O AK307137 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.8 C1=C(C=C(C=C1CBr)C)C AK-68241 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.8 C1=C(N=C(N=C1Cl)SC)C AK-25154 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.8 CC1=CC(C)=CC(CCl)=N1 AK149126 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.8 CC1=CC(C)=NC(CCl)=N1 AK-43252 [0,0,0,0,0,1|2,0,0]=3 53 B10R1.8 CC1=CC(C)=NC(NN)=N1 AK116848 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.8 CC1=CC(CO)=CC(C)=N1 AK-33797 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.8 CC1=CC(Cl)=NC(OC)=C1 AK148081 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.8 CC1=CC(Cl)=NC(OC)=N1 AK-53334 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.8 CC1=CC(OC)=NC(Br)=N1 AK431086 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.8 CC1=CC(OC)=NC(C)=N1 AK150919 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.8 CC1=NC(Cl)=CC(NC)=N1 AK395423 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.8 CC1=NC(OC)=CC(Cl)=N1 AK113082 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.8 CCC1=NC(N)=NC(Cl)=C1 AK-89417 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.8 CCC1=NC(N)=NC(N)=C1 AK-89398 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.8 CCC1=NC(N)=NC(O)=C1 AK-89410 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.8 COC1=NC(=NC(=N1)C)N AK-47650 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.8 COC1=NC(C)=CC(C)=N1 AK-33225 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.8 COC1=NC(Cl)=NC(C)=C1 AK-53464 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.8 CSC1=NC(N)=CC(C)=N1 AK-34342 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.8 CSC1=NC(O)=NC(C)=C1 AK104684 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.8 N#CC1=NC(C)=CC(C)=N1 AK-34177 [0,0,0,0,0,1|2,0,1]=4 70 B10R1.8 NC1=CC(OC)=NC(C)=C1 AK129481 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.8 OC1=NC(OC)=NC(C)=C1 AK121842 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.8 OCC1=NC(C)=CC(C)=N1 AK-84101 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.176 BrC1=CC=C(N=C1C)OC AK-29800 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.176 CC1=CC(CC)=CC=C1C AK135930 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.176 CC1=CC(CC)=CC=C1I AK149749 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.176 CC1=CC(OC)=CN=C1Cl AK126278 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.176 CC1=CN=C(OC)C=C1N AK291820 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.176 CC1=NC(OC)=NC=C1Br AK143918 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.176 CC1=NC=C(OC)C=C1Br AK133057 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.176 COC1=CC(C)=C(N)C=N1 AK-56992 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.176 COC1=NC(C)=C(F)C=C1 AK-25872 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.176 COC1=NC=C(Br)C(C)=C1 AK-29694 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.176 CSC1=NC(Cl)=C(C)C=N1 AK-80910 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.176 N#CC1=CN=C(C)C(C)=C1 AK145641 [0,0,0,0,0,1|2,0,1]=4 85 B10R1.176 NC1=CC=C(N=C1C)OC AK-26061 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.176 NC1=CC=C(OC)N=C1C AK109424 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.176 NC1=CN=C(OC)N=C1C AK142450 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.176 OCC1=CC=C(C)C(C)=C1 AK-79908 [0,0,0,0,0,1|3,0,0]=4 89 B7R1.1 BrCC1=NC=CN1 AK142906 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.1 CCC1=CC=CS1 AK-76635 [2,0,0,0,0,0|1,1,0]=4 91 B7R1.1 CCC1=NC=CN1 AK161825 [2,0,0,0,0,0|1,0,0]=3 92 B7R1.1 CCC1=NN=CO1 AK-50871 [2,0,0,0,0,0|1,0,0]=3 93 B7R1.1 CCC1=NNC=N1 AK124531 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.1 CCN1N=CC=C1 AK-39994 [2,0,0,0,0,0|2,0,0]=4 95 B7R1.1 CNC1=NC=CS1 AK-32595 [2,0,0,0,0,0|1,1,0]=4 96 B7R1.1 COC1=NC=CS1 AK-46322 [2,0,0,0,0,0|1,1,0]=4 97 B7R1.1 ClCC1=NC=CO1 AK-33839 [2,0,0,0,0,0|1,0,0]=3 98 B7R1.1 NCC1=NC=CO1 AK-48266 [2,0,0,0,0,0|1,0,0]=3 99 B7R1.1 NCC1=NC=CS1 AK-26128 [2,0,0,0,0,0|1,1,0]=4 100 B7R1.1 NCC1=NC=CS1 AK-95677 [2,0,0,0,0,0|1,1,0]=4 101 B7R1.1 OCC1=NC=CN1 AK-44944 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.1 OCC1=NC=CO1 AK-29821 [2,0,0,0,0,0|1,0,0]=3 103 B7R1.2 BrC1=NC=C(S1)C AK-23612 [2,0,0,0,0,0|1,1,0]=4 104 B7R1.2 C1=C(C)N=C(N)S1 AK-33524 [2,0,0,0,0,0|1,1,0]=4 105 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [2,0,0,0,0,0|0,1,0]=3 106 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [2,0,0,0,0,0|2,0,0]=4 107 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [2,0,0,0,0,0|0,1,0]=3 108 B7R1.2 C1=C(SC(=N1)N)C AK-26992 [2,0,0,0,0,0|1,1,0]=4 109 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [2,0,0,0,0,0|1,0,0]=3 110 B7R1.2 C1=C[N](N=C1C)C AK-47383 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.2 C1=N[N](C=C1C)C AK-47523 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [2,0,0,0,0,0|1,1,0]=4 113 B7R1.2 CC1=CNC(I)=N1 AK113414 [2,0,0,0,0,0|2,0,0]=4 114 B7R1.2 CC1=CSC(Br)=N1 AK-23607 [2,0,0,0,0,0|1,1,0]=4 115 B7R1.2 CC1=NC=C(I)[NH]1 AK-32021 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.2 CC1=NN=C(Br)O1 AK154074 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.2 CC1=NN=C(C)N1 AK-32124 [2,0,0,0,0,0|2,0,0]=4 118 B7R1.2 CC1=NN=C(C)O1 AK-54981 [2,0,0,0,0,0|1,0,0]=3 119 B7R1.2 NC1=CN=C(C)S1 AK-85981 [2,0,0,0,0,0|1,1,0]=4 120 B7R1.2 NC1=CSC(C)=N1 AK165023 [2,0,0,0,0,0|1,1,0]=4 121 B7R1.2 NC1=NN=C(C)O1 AK-35499 [2,0,0,0,0,0|2,0,0]=4 122 B7R1.2 NC1=NOC(C)=N1 AK-94935 [2,0,0,0,0,0|2,0,0]=4 123 B7R1.2 O=C1OC(C)=CC1 AK601784 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.4 CC1=C(Br)NC=N1 AK-92496 [2,0,0,0,0,0|2,0,0]=4 125 B7R1.4 CC1=C(Br)SC=N1 AK-40873 [2,0,0,0,0,0|1,1,0]=4 126 B7R1.4 CC1=C(C)N=CN1 AK157739 [2,0,0,0,0,0|1,0,0]=3 127 B7R1.4 CC1=C(C)N=CS1 AK-46395 [2,0,0,0,0,0|0,1,0]=3 128 B7R1.4 CC1=C(I)NC=N1 AK128524 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.4 CC1=CC=NN1C AK-36127 [2,0,0,0,0,0|2,0,0]=4 130 B7R1.4 CC1=CNN=C1C AK111434 [2,0,0,0,0,0|2,0,0]=4 131 B7R1.4 CC1=CNN=C1C AK117330 [2,0,0,0,0,0|2,0,0]=4 132 B7R1.4 CN1C=CN=C1C AK-60401 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [1,1,0,0,0,0|1,0,0]=3 134 B9R1.21 OCC1=CC=C(CO)O1 AK-68226 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [1,1,0,0,0,0|1,0,1]=4 136 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [1,1,0,0,0,0|0,0,1]=3 137 B9R1.35 CC1=CSC(C(C)C)=N1 AK114355 [1,1,0,0,0,0|0,1,0]=3 138 B9R1.37 CC1=C(N)C(C)=NN1C AK-32196 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.37 CN1N=C(C)C(Br)=C1C AK-27790 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.9 CC1=NC(NC)=NC(OC)=N1 AK105367 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.9 COC1=CC(OC)=NC(C)=N1 AK-33164 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.9 CSC1=NC(C)=CC(OC)=N1 AK222892 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.14 CC1=C(Br)C(C)=NC(OC)=C1 AK-69408 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.34 CCOC1=CC(C)=NC(Cl)=N1 AK-51776 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.34 NC1=CC(OCC)=NC(C)=C1 AK131706 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.192 CC1=CC=C(CCN)C=C1C AK-33676 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.192 CNCC1=CC=C(C)C(C)=C1 AK-82567 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.277 OCC1=NC(C)=C(C)N=C1C AK-95406 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.50 CC(C1=C(C)N=C(NC)S1)=O AK385680 [0,2,0,0,0,0|1,1,0]=4 150 B9R1.69 CC1=CN=C(C)C(C)=N1 AK114354 [0,0,1,1,0,0|1,0,1]=4 151 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [1,0,0,0,0,1|2,0,0]=4 152 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [1,0,0,0,0,1|2,0,0]=4 153 B9R1.1 CC1=CN=C(C=N1)CO AK-24727 [1,0,0,0,0,1|2,0,0]=4 154 B9R1.1 CC1=CN=C(CCl)C=N1 AK138019 [1,0,0,0,0,1|2,0,0]=4 155 B9R1.1 CC1=CN=C(CCl)N=C1 AK-76612 [1,0,0,0,0,1|2,0,0]=4 156 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [1,0,0,0,0,1|2,0,0]=4 157 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [1,0,0,0,0,1|2,0,0]=4 158 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [1,0,0,0,0,1|2,0,0]=4 159 B9R1.1 CC1=NN=C(OC)C=C1 AK136314 [1,0,0,0,0,1|2,0,0]=4 160 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [1,0,0,0,0,1|1,0,0]=3 161 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [1,0,0,0,0,1|2,0,0]=4 162 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [1,0,0,0,0,1|2,0,0]=4 163 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [1,0,0,0,0,1|2,0,0]=4 164 B9R1.1 NC1=NC=C(N=C1)CC AK-26631 [1,0,0,0,0,1|2,0,0]=4 165 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [1,0,0,0,0,1|2,0,0]=4 166 B9R1.34 BrC1=NC(=CC(=C1)C)C AK-26024 [1,0,0,0,0,1|2,0,0]=4 167 B9R1.34 C1=C(N=C(C=C1C)N)C AK-35566 [1,0,0,0,0,1|2,0,0]=4 168 B9R1.34 CC1=CC(Br)=CC(C)=N1 AK-35389 [1,0,0,0,0,1|2,0,0]=4 169 B9R1.34 CC1=CC(C)=NC(Br)=N1 AK-63680 [1,0,0,0,0,1|2,0,0]=4 170 B9R1.34 CC1=CC(C)=NC(Cl)=N1 AK-27678 [1,0,0,0,0,1|2,0,0]=4 171 B9R1.34 CC1=CC(C)=NC(N)=N1 AK-26993 [1,0,0,0,0,1|2,0,0]=4 172 B9R1.34 CC1=CC(Cl)=CC(C)=N1 AK-26952 [1,0,0,0,0,1|2,0,0]=4 173 B9R1.34 CC1=CC(O)=NC(C)=C1 AK-63436 [1,0,0,0,0,1|2,0,0]=4 174 B9R1.34 CC1=NC(=O)NC(=C1)C AK-28729 [1,0,0,0,0,1|2,0,0]=4 175 B9R1.34 CC1=NC(=S)NC(=C1)C AK-46763 [1,0,0,0,0,1|2,0,0]=4 176 B9R1.34 CC1=NC(C)=NC(N)=C1 AK-29268 [1,0,0,0,0,1|2,0,0]=4 177 B9R1.34 CC1=NC(C)=NC(O)=C1 AK-54988 [1,0,0,0,0,1|2,0,0]=4 178 B9R1.34 ClC1=NC(=CC(=C1)C)C AK-46768 [1,0,0,0,0,1|2,0,0]=4 179 B9R1.34 ClC1=NC(=NC(=C1)C)C AK-21842 [1,0,0,0,0,1|2,0,0]=4 180 B9R1.34 NC1=CC(C)=NC(C)=C1 AK-34805 [1,0,0,0,0,1|2,0,0]=4