0 B8R1.2 BrCC1=CN=CC=C1 4090400 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 3 B8R1.2 O=CC1=CC=NN=C1 4015481 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 ClC1=CN=CC=N1 3020065 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.2 CC1=CC(NN)=NC=C1 4032386 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [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|3,0,0]=4 14 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.8 NCCC1=NC=CC=C1 3020070 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.15 CC1=NC=CC=C1CCl 4088270 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.15 CC1=NC=CN=C1C=O 4030187 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.15 COC1=CN=CN=C1N 4065839 [0,1,0,0,0,0|2,1,0]=4 25 B7R1.1 C#CC1=CC=CO1 4045318 [0,0,0,0,1,0|2,0,1]=4 26 B7R1.1 C1=NC=C(CO)S1 4050354 [0,0,0,0,1,0|3,0,0]=4 27 B7R1.1 CCN1C=CC=N1 3020409 [0,0,0,0,1,0|2,0,0]=3 28 B7R1.1 ClCC1=CN=CS1 4089081 [0,0,0,0,1,0|3,0,0]=4 29 B7R1.1 ClCC1=CNC=N1 4089538 [0,0,0,0,1,0|2,0,1]=4 30 B7R1.1 ClCC1=CSC=N1 4089258 [0,0,0,0,1,0|3,0,0]=4 31 B7R1.1 ClCC1=NC=CS1 4089816 [0,0,0,0,1,0|3,0,0]=4 32 B7R1.1 ClCC1=NNC=N1 6604383 [0,0,0,0,1,0|3,0,0]=4 33 B7R1.1 ClCC1=NOC=N1 3003095 [0,0,0,0,1,0|3,0,0]=4 34 B7R1.1 NCC1=CC=NN1 4088066 [0,0,0,0,1,0|3,0,0]=4 35 B7R1.1 NCC1=NC=CN1 4089830 [0,0,0,0,1,0|2,0,1]=4 36 B7R1.1 NCC1=NOC=C1 2102253 [0,0,0,0,1,0|3,0,0]=4 37 B7R1.1 NCC1=NOC=C1 4088492 [0,0,0,0,1,0|3,0,0]=4 38 B7R1.1 NCC1=NOC=N1 4088690 [0,0,0,0,1,0|3,0,0]=4 39 B7R1.1 O=CC1=CC=NS1 4030495 [0,0,0,0,1,0|3,0,0]=4 40 B7R1.1 O=CC1=CSN=C1 4030020 [0,0,0,0,1,0|3,0,0]=4 41 B7R1.1 OCC1=NC=NO1 4043622 [0,0,0,0,1,0|3,0,0]=4 42 B8R1.3 CC1=CN=C(O)N=C1 4090925 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.1 CCC1=CSC(N)=N1 4034888 [0,1,0,0,1,0|2,0,0]=4 44 B8R1.1 CCC1=CSC(N)=N1 4090225 [0,1,0,0,1,0|2,0,0]=4 45 B8R1.1 CCC1=NC(N)=NO1 4014409 [0,1,0,0,1,0|2,0,0]=4 46 B8R1.1 CCC1=NC=C(Br)S1 4041002 [0,1,0,0,1,0|2,0,0]=4 47 B8R1.1 CCC1=NC=C(Br)S1 4088439 [0,1,0,0,1,0|2,0,0]=4 48 B8R1.1 CCN1C=C(N)C=N1 4087911 [0,1,0,0,1,0|2,0,0]=4 49 B8R1.1 CCN1C=C(N)C=N1 4089653 [0,1,0,0,1,0|2,0,0]=4 50 B8R1.1 CCN1C=NC(N)=N1 4088619 [0,1,0,0,1,0|2,0,0]=4 51 B8R1.1 CNC1=NC(Br)=NS1 4059983 [0,1,0,0,1,0|2,0,0]=4 52 B8R1.1 CNC1=NC=C(Br)S1 4039821 [0,1,0,0,1,0|2,0,0]=4 53 B8R1.1 CSC1=NSC(N)=N1 3001842 [0,1,0,0,1,0|1,0,0]=3 54 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,1,0,0,1,0|2,0,0]=4 55 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,1,0,0,1,0|2,0,0]=4 56 B8R1.7 CC(N)C1=NC=NN1 4089755 [0,1,0,0,1,0|2,0,0]=4 57 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,1,0,0,1,0|2,0,0]=4 58 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,1,0,0,1,0|2,0,0]=4 59 B8R1.8 BrCCN1C=NC=N1 4089347 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.8 CCCC1=NNC=N1 4089398 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.8 CNCC1=CC=CS1 4087952 [0,1,0,0,1,0|2,0,0]=4 62 B8R1.8 CNCC1=CC=NN1 4088708 [0,1,0,0,1,0|2,0,0]=4 63 B8R1.8 CNCC1=CSC=N1 4088415 [0,1,0,0,1,0|2,0,0]=4 64 B8R1.8 CNCC1=NC=CN1 4088413 [0,1,0,0,1,0|1,0,1]=4 65 B8R1.8 CNCC1=NC=CS1 4090726 [0,1,0,0,1,0|2,0,0]=4 66 B8R1.8 CNCC1=NOC=C1 2102254 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.8 ClCCC1=CNN=C1 4090809 [0,1,0,0,1,0|2,0,0]=4 68 B8R1.8 ClCCC1=NC=CN1 4090066 [0,1,0,0,1,0|1,0,1]=4 69 B8R1.8 NCCC1=CC=CO1 4087953 [0,1,0,0,1,0|2,0,0]=4 70 B8R1.8 NCCC1=CC=CS1 3020071 [0,1,0,0,1,0|2,0,0]=4 71 B8R1.8 NCCC1=CNN=C1 4087965 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.8 NCCC1=CSC=N1 4090876 [0,1,0,0,1,0|2,0,0]=4 73 B8R1.8 NCCN1C=CN=C1 4090168 [0,1,0,0,1,0|2,0,0]=4 74 B8R1.8 OCCC1=CC=CO1 4039978 [0,1,0,0,1,0|2,0,0]=4 75 B8R1.11 CCN1C=CN=C1Br 4088617 [0,1,0,0,1,0|2,0,0]=4 76 B8R1.11 CCN1N=CN=C1N 4088125 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.172 CSC1=CC=CC(CN)=C1 4089405 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.15 NNC(=O)C1=NC=CN=C1 3002804 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.61 CN(C)C1=NC=CC=C1N 4089183 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.4 CC1=CC=CN=C1CCN 4002940 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.20 CNC1=NC=CC=C1C=O 4090184 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.20 COC1=CC=CN=C1CCl 4089597 [0,2,0,0,0,0|1,1,0]=4 99 B10R1.245 COC1=C(N)C=CN=C1Cl 4049281 [0,2,0,0,0,0|1,1,0]=4 100 B10R1.245 COC1=C(N)C=CN=C1Cl 4089025 [0,2,0,0,0,0|1,1,0]=4 101 B6R1.2 BrC1=CC=NS1 4047938 [1,0,0,0,1,0|2,0,0]=4 102 B6R1.2 BrC1=CNN=C1 3001964 [1,0,0,0,1,0|2,0,0]=4 103 B6R1.2 BrC1=NSC=N1 4108197 [1,0,0,0,1,0|2,0,0]=4 104 B6R1.2 C1=NNC(Br)=N1 4050415 [1,0,0,0,1,0|2,0,0]=4 105 B6R1.2 ClC1=CNN=C1 3002277 [1,0,0,0,1,0|2,0,0]=4 106 B6R1.2 IC1=CC=NS1 4075854 [1,0,0,0,1,0|2,0,0]=4 107 B6R1.2 NC1=NNC=C1 3002058 [1,0,0,0,1,0|2,0,0]=4 108 B6R1.2 OC1=CNN=C1 4089099 [1,0,0,0,1,0|1,1,0]=4