0 B8R1.8 BrCCN1C=NC=N1 4089347 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.8 CCCC1=NNC=N1 4089398 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 CNCC1=CC=CS1 4087952 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CNCC1=CC=NN1 4088708 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=CSC=N1 4088415 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CNCC1=NC=CN1 4088413 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 ClCCC1=CNN=C1 4090809 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 ClCCC1=NC=CN1 4090066 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 NCCC1=CC=CO1 4087953 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.8 NCCC1=CC=CS1 3020071 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 NCCC1=CNN=C1 4087965 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 NCCC1=CSC=N1 4090876 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.8 NCCC1=NN=NN1 4088038 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.8 NCCC1=NN=NN1 4090486 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 NCCN1C=CN=C1 4090168 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 NCCN1C=NN=C1 4088364 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 NNCC1=CC=CS1 4088418 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 OCCC1=CC=CO1 4039978 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 C1=NC=C(CO)S1 4050354 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.1 CCC1C=CCN1 4090190 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.1 CCN1C=CC=N1 3020409 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 ClCC1=CN=CS1 4089081 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 ClCC1=CNC=N1 4089538 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.1 ClCC1=CSC=N1 4089258 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 NCC1=CC=NN1 4088066 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 NCC1=NC=CN1 4089830 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 NCC1=NN=CO1 4042037 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 NCC1=NN=NN1 4087793 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 NCC1=NOC=C1 2102253 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 NCC1=NOC=C1 4088492 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 NCC1=NOC=N1 4088690 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 O=CC1=CN=NN1 4301610 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 OCC1=NC=NO1 4043622 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.7 CC1=CC=C(CCN)S1 4004130 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.7 CC1=CN(CCN)N=C1 4089607 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.7 CC1=NC(CCCl)=CS1 4088359 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.7 CC1=NC(CCN)=NO1 4088883 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.7 CC1=NN(CCN)C=C1 4016693 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.7 CC1=NN=C(CCN)S1 4088819 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.7 NC1=NN(CCO)C=N1 4087830 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.7 NCCC1=CSC(N)=N1 4088132 [0,1,0,0,0,0|1,0,1]=3 41 B9R1.7 NCCC1=NN=C(N)S1 4088616 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.7 NCCC1=NNC(=O)N1 4004850 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.7 NCCC1=NNC(N)=N1 4089251 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,1,0,0,0,0|1,0,2]=4 45 B9R1.11 CC(CN)N1C=CC=N1 4090464 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.11 CC(CN)N1C=CN=C1 4014564 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.11 CC(CN)N1C=CN=C1 4088378 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.11 CC(CN)N1C=NC=N1 4014565 [0,1,0,0,0,0|1,0,1]=3 49 B9R1.11 CC(CN)N1C=NC=N1 4088423 [0,1,0,0,0,0|1,0,1]=3 50 B9R1.12 BrCCCN1C=CN=C1 4089177 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.12 CNCCC1=CNN=C1 4087966 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.12 CNCCC1=CNN=C1 4101522 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.12 CNCCC1=NOC=N1 4044451 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.12 CNCCN1C=CN=C1 4089691 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.12 NCCCC1=NC=CN1 4089532 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.12 NCCCC1=NC=CS1 4101106 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.12 NCCCN1C=CC=N1 4087812 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.12 NCCCN1C=CN=N1 4088545 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.12 NCCCN1C=NC=N1 4088691 [0,1,0,0,0,0|1,0,1]=3 60 B9R1.12 NCCCN1C=NN=C1 4090299 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.33 CC1=C(CCN)SC=C1 4090401 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.33 CC1=NC=CN1CCBr 4090913 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.33 CC1=NC=CN1CCCl 4088886 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.33 CN1C=NC=C1CC#N 4091181 [0,1,0,0,0,0|0,0,2]=3 65 B9R1.33 CN1C=NN=C1CCN 4088356 [0,1,0,0,0,0|1,0,0]=2 66 B9R1.33 CN1N=CN=C1CCN 4089541 [0,1,0,0,0,0|1,0,1]=3 67 B9R1.33 CNCC1=NN=CN1C 4090157 [0,1,0,0,0,0|3,0,0]=4 68 B9R2.3 C1=NC2=C(CCC2)N1 4085442 [0,0,0,1,0,0|1,0,0]=2 69 B9R2.3 C1=NNC2=C1CCC2 4088327 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.8 CNCC1=CC=NC=C1 3002392 [0,0,0,0,0,1|3,0,0]=4 71 B9R1.8 NCCC1=NC=CC=C1 3020070 [0,0,0,0,0,1|1,0,1]=3 72 B8R1.1 CC1=NN=C(CN)O1 4090166 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.1 CC1=NN=C(CN)S1 4034872 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.1 CC1=NN=C(CN)S1 4110614 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 CC1=NNC(CN)=C1 4090142 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.1 CCC1=CSC(N)=N1 4034888 [1,1,0,0,0,0|1,0,1]=4 77 B8R1.1 CCC1=CSC(N)=N1 4090225 [1,1,0,0,0,0|1,0,1]=4 78 B8R1.1 CCC1=NC(N)=NO1 4014409 [1,1,0,0,0,0|1,0,1]=4 79 B8R1.1 CCN1C=NC(N)=N1 4088619 [1,1,0,0,0,0|1,0,1]=4 80 B8R1.1 NCC1=NN=C(N)S1 4089287 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.1 NCC1=NNC(=O)N1 4089406 [1,1,0,0,0,0|1,0,1]=4 82 B8R1.7 CC(C)C1=CC=NN1 4040291 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.7 CC(N)C1=NC=NN1 4089755 [1,1,0,0,0,0|1,0,1]=4 84 B8R1.11 CC1=C(CBr)SC=N1 4089692 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.11 CC1=C(CN)NC=N1 4091171 [1,1,0,0,0,0|0,0,0]=2 86 B8R1.11 CC1=C(CN)SC=C1 4088805 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.11 CC1=NON=C1CN 4089314 [1,1,0,0,0,0|1,0,1]=4 88 B8R1.11 CCN1C=CN=C1Br 4088617 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.11 CCN1N=CN=C1N 4088125 [1,1,0,0,0,0|1,0,1]=4 90 B8R1.11 CN1C=CN=C1CN 4090095 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.11 CN1C=NC=C1CCl 4088903 [1,1,0,0,0,0|1,0,0]=3 92 B8R1.11 CN1C=NN=C1CCl 4088922 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.4 CC1=CC=CN=C1CCN 4002940 [0,1,0,0,0,1|1,0,1]=4 94 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [0,1,0,0,0,1|1,0,0]=3 95 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,1,0,0,0,1|1,0,0]=3 96 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,1,0,0,0,1|1,0,0]=3 97 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,1,0,0,0,1|1,0,1]=4 101 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,1,0,0,0,1|1,0,1]=4 102 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,1,0,0,0,1|1,0,0]=3 103 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,1,0,0,0,1|1,0,1]=4 104 B10R1.16 NCCCC1=CSC(N)=N1 4090057 [0,2,0,0,0,0|1,0,1]=4 105 B10R1.16 NCCCC1=NN=C(N)S1 4088698 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.94 CC1=C(C)C(CCN)=CS1 4028596 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.94 CN1C(=O)NN=C1CCN 4089294 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.96 CCC1=NOC(CCN)=N1 4090743 [0,2,0,0,0,0|1,0,1]=4 109 B10R1.130 CC1=NN(CCN)C(C)=N1 4089366 [0,2,0,0,0,0|1,0,1]=4 110 B10R1.149 CN1C=CN=C1C(O)CN 4004009 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.29 CC1=C(CCCN)SC=N1 4090167 [0,2,0,0,0,0|1,0,0]=3 112 B10R1.29 CC1=NON=C1OCCN 4089999 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.29 CNCCN1C=CN=C1C 4091015 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.187 CC1=NNC(C)=C1CCN 4087987 [0,2,0,0,0,0|2,0,0]=4 115 B8R1.2 NCC1=NC=NC=C1 4102725 [0,0,1,1,0,0|0,0,2]=4 116 B10R2.2 NC1CC2=CN=CN2C1 4059018 [0,1,0,1,0,0|0,0,0]=2 117 B10R2.21 CN1C=NN=C1C2CC2 4088724 [0,1,0,1,0,0|2,0,0]=4