0 B8R1.2 BrCC1=CN=CC=C1 4090400 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 NCC1=NC=NC=C1 4102725 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.2 NNC1=CC=CN=C1 4090882 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 NNC1=CC=NC=C1 4089280 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 O=CC1=CC=NN=C1 4015481 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 ClC1=CN=CC=N1 3020065 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,1,0,0,0,0|1,0,1]=3 18 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,1,0,0,0,0|0,0,0]=1 20 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.8 CNCC1=CC=NC=C1 3002392 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.8 NCCC1=NC=CC=C1 3020070 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.15 CC1=NC=CC=C1CCl 4088270 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.15 CC1=NC=CN=C1C=O 4030187 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.15 COC1=CN=CN=C1N 4065839 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 C#CC1=CC=CO1 4045318 [0,0,0,0,1,0|1,0,2]=4 31 B7R1.1 C1=NC=C(CO)S1 4050354 [0,0,0,0,1,0|2,0,0]=3 32 B7R1.1 CCC1C=CCN1 4090190 [0,0,0,0,1,0|0,0,3]=4 33 B7R1.1 CCN1C=CC=N1 3020409 [0,0,0,0,1,0|1,0,0]=2 34 B7R1.1 ClCC1=CN=CS1 4089081 [0,0,0,0,1,0|2,0,0]=3 35 B7R1.1 ClCC1=CNC=N1 4089538 [0,0,0,0,1,0|2,0,0]=3 36 B7R1.1 ClCC1=CSC=N1 4089258 [0,0,0,0,1,0|2,0,0]=3 37 B7R1.1 ClCC1=NC=CS1 4089816 [0,0,0,0,1,0|2,0,0]=3 38 B7R1.1 ClCC1=NNC=N1 6604383 [0,0,0,0,1,0|3,0,0]=4 39 B7R1.1 ClCC1=NOC=N1 3003095 [0,0,0,0,1,0|3,0,0]=4 40 B7R1.1 NCC1=CC=NN1 4088066 [0,0,0,0,1,0|2,0,0]=3 41 B7R1.1 NCC1=NC=CN1 4089830 [0,0,0,0,1,0|2,0,0]=3 42 B7R1.1 NCC1=NN=CO1 4042037 [0,0,0,0,1,0|3,0,0]=4 43 B7R1.1 NCC1=NOC=C1 2102253 [0,0,0,0,1,0|2,0,0]=3 44 B7R1.1 NCC1=NOC=C1 4088492 [0,0,0,0,1,0|2,0,0]=3 45 B7R1.1 NCC1=NOC=N1 4088690 [0,0,0,0,1,0|3,0,0]=4 46 B7R1.1 O=CC1=CC=NS1 4030495 [0,0,0,0,1,0|2,0,1]=4 47 B7R1.1 O=CC1=CSN=C1 4030020 [0,0,0,0,1,0|2,0,1]=4 48 B7R1.1 OCC1=CNN=N1 4003329 [0,0,0,0,1,0|3,0,0]=4 49 B7R1.1 OCC1=NC=NO1 4043622 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.3 CC1=CN=C(O)N=C1 4090925 [1,1,0,0,0,0|1,0,0]=3 51 B8R1.3 NC1=NC=C(Br)C=N1 3020096 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.3 NC1=NN=C(Cl)C=C1 3020090 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.1 CC1=CC(CN)=NO1 4003548 [0,1,0,0,1,0|2,0,0]=4 54 B8R1.1 CC1=CSC(CCl)=N1 4089233 [0,1,0,0,1,0|2,0,0]=4 55 B8R1.1 CC1=NC(CCl)=CO1 4038462 [0,1,0,0,1,0|2,0,0]=4 56 B8R1.1 CC1=NC(CCl)=CS1 4089600 [0,1,0,0,1,0|2,0,0]=4 57 B8R1.1 CC1=NNC(CN)=C1 4090142 [0,1,0,0,1,0|2,0,0]=4 58 B8R1.1 CCC1=CSC(N)=N1 4034888 [0,1,0,0,1,0|1,0,0]=3 59 B8R1.1 CCC1=CSC(N)=N1 4090225 [0,1,0,0,1,0|1,0,0]=3 60 B8R1.1 CCC1=NC(N)=NO1 4014409 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.1 CCC1=NC=C(Br)S1 4041002 [0,1,0,0,1,0|1,0,0]=3 62 B8R1.1 CCC1=NC=C(Br)S1 4088439 [0,1,0,0,1,0|1,0,0]=3 63 B8R1.1 CCN1C=C(N)C=N1 4087911 [0,1,0,0,1,0|1,0,0]=3 64 B8R1.1 CCN1C=C(N)C=N1 4089653 [0,1,0,0,1,0|1,0,0]=3 65 B8R1.1 CCN1C=C(N)N=N1 4088511 [0,1,0,0,1,0|2,0,0]=4 66 B8R1.1 CCN1C=NC(N)=N1 4088619 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.1 CNC1=NC=C(Br)S1 4039821 [0,1,0,0,1,0|2,0,0]=4 68 B8R1.1 OCC1=CSC(Br)=N1 4088989 [0,1,0,0,1,0|2,0,0]=4 69 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,1,0,0,1,0|1,0,0]=3 70 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,1,0,0,1,0|1,0,0]=3 71 B8R1.7 CC(N)C1=NC=NN1 4089755 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,1,0,0,1,0|1,0,0]=3 73 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,1,0,0,1,0|1,0,0]=3 74 B8R1.8 BrCCN1C=NC=N1 4089347 [0,1,0,0,1,0|2,0,0]=4 75 B8R1.8 CCCC1=NNC=N1 4089398 [0,1,0,0,1,0|2,0,0]=4 76 B8R1.8 CNCC1=CC=CS1 4087952 [0,1,0,0,1,0|1,0,0]=3 77 B8R1.8 CNCC1=CC=NN1 4088708 [0,1,0,0,1,0|1,0,0]=3 78 B8R1.8 CNCC1=CSC=N1 4088415 [0,1,0,0,1,0|1,0,0]=3 79 B8R1.8 CNCC1=NC=CN1 4088413 [0,1,0,0,1,0|1,0,0]=3 80 B8R1.8 CNCC1=NC=CS1 4090726 [0,1,0,0,1,0|1,0,0]=3 81 B8R1.8 CNCC1=NOC=C1 2102254 [0,1,0,0,1,0|1,0,0]=3 82 B8R1.8 ClCCC1=CNN=C1 4090809 [0,1,0,0,1,0|1,0,0]=3 83 B8R1.8 ClCCC1=NC=CN1 4090066 [0,1,0,0,1,0|1,0,0]=3 84 B8R1.8 NCCC1=CC=CO1 4087953 [0,1,0,0,1,0|1,0,0]=3 85 B8R1.8 NCCC1=CC=CS1 3020071 [0,1,0,0,1,0|1,0,0]=3 86 B8R1.8 NCCC1=CNN=C1 4087965 [0,1,0,0,1,0|1,0,0]=3 87 B8R1.8 NCCC1=CSC=N1 4090876 [0,1,0,0,1,0|1,0,0]=3 88 B8R1.8 NCCN1C=CN=C1 4090168 [0,1,0,0,1,0|1,0,0]=3 89 B8R1.8 NCCN1C=NN=C1 4088364 [0,1,0,0,1,0|2,0,0]=4 90 B8R1.8 NNCC1=CC=CS1 4088418 [0,1,0,0,1,0|2,0,0]=4 91 B8R1.8 OCCC1=CC=CO1 4039978 [0,1,0,0,1,0|1,0,0]=3 92 B8R1.11 CC1=C(CBr)SC=N1 4089692 [0,1,0,0,1,0|2,0,0]=4 93 B8R1.11 CC1=C(CCl)N=CN1 4090770 [0,1,0,0,1,0|2,0,0]=4 94 B8R1.11 CC1=C(CN)NC=N1 4091171 [0,1,0,0,1,0|2,0,0]=4 95 B8R1.11 CC1=C(CN)SC=C1 4088805 [0,1,0,0,1,0|2,0,0]=4 96 B8R1.11 CC1=C(CO)N=CS1 4091170 [0,1,0,0,1,0|2,0,0]=4 97 B8R1.11 CCN1C=CN=C1Br 4088617 [0,1,0,0,1,0|1,0,0]=3 98 B8R1.11 CCN1N=CN=C1N 4088125 [0,1,0,0,1,0|2,0,0]=4 99 B8R1.11 CN1C=CN=C1CN 4090095 [0,1,0,0,1,0|2,0,0]=4 100 B8R1.11 CN1C=NC=C1CCl 4088903 [0,1,0,0,1,0|2,0,0]=4 101 B8R1.11 CN1N=CC=C1CCl 4089161 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [0,2,0,0,0,0|1,0,0]=3 103 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [0,2,0,0,0,0|0,0,0]=2 104 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [0,2,0,0,0,0|0,0,0]=2 107 B10R1.13 CC(C)C1=CNC(=O)N=C1 4089680 [0,2,0,0,0,0|1,0,0]=3 108 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 4045063 [0,2,0,0,0,0|1,0,0]=3 109 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [0,2,0,0,0,0|1,0,0]=3 110 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [0,2,0,0,0,0|0,0,0]=2 111 B10R1.25 CC1=CC(C)=C(CN)C=N1 4003180 [0,2,0,0,0,0|1,0,0]=3 112 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.30 CCC1=C(N)C=CC(I)=C1 4091033 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.30 CCC1=CC(Cl)=CC=C1N 4091185 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [0,2,0,0,0,0|1,0,0]=3 124 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [0,2,0,0,0,0|1,0,0]=3 125 B10R1.172 CSC1=CC=CC(CN)=C1 4089405 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.172 N#CC1=CC(CN)=CC=C1 4088569 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.172 NCC1=CC=CC(CO)=C1 4088760 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,2,0,0,0,0|0,0,0]=2 130 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,2,0,0,0,0|0,0,0]=2 131 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,2,0,0,0,0|0,0,1]=3 134 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [0,2,0,0,0,0|1,0,0]=3 135 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.61 NC1=CC=NC=C1B(O)O 4088782 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.4 CC1=CC=CN=C1CCN 4002940 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.4 CNCC1=CC=CC=C1C 4090872 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,2,0,0,0,0|0,0,0]=2 142 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,2,0,0,0,0|0,0,0]=2 143 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [0,2,0,0,0,0|1,0,1]=4 146 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,2,0,0,0,0|0,0,0]=2 147 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,2,0,0,0,0|0,0,1]=3 150 B10R1.20 CNC1=NC=CC=C1C=O 4090184 [0,2,0,0,0,0|1,0,1]=4 151 B10R1.20 COC1=CC=CN=C1CCl 4089597 [0,2,0,0,0,0|1,0,0]=3 152 B10R1.245 COC1=C(N)C=CN=C1Cl 4049281 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.245 COC1=C(N)C=CN=C1Cl 4089025 [0,2,0,0,0,0|1,0,0]=3 154 B6R1.2 BrC1=CC=NS1 4047938 [1,0,0,0,1,0|2,0,0]=4 155 B6R1.2 BrC1=CNN=C1 3001964 [1,0,0,0,1,0|2,0,0]=4 156 B6R1.2 ClC1=CNN=C1 3002277 [1,0,0,0,1,0|2,0,0]=4 157 B6R1.2 IC1=CC=NS1 4075854 [1,0,0,0,1,0|2,0,0]=4 158 B6R1.2 NC1=NNC=C1 3002058 [1,0,0,0,1,0|2,0,0]=4 159 B6R1.2 OC1=CNN=C1 4089099 [1,0,0,0,1,0|2,0,0]=4