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 NNC1=CC=NC=C1 4089280 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 O=CC1=CC=NN=C1 4015481 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.3 ClC1=CN=CC=N1 3020065 [1,0,0,0,0,0|3,0,0]=4 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 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 CC1=NC=CC(CCl)=C1 4089416 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.2 CC1=NC=CC(NN)=C1 4088178 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.8 CNCC1=CC=NC=C1 3002392 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCC1=NC=CC=C1 3020070 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.15 CC1=C(NN)C=CN=C1 4088209 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.15 CC1=NC=CC=C1CCl 4088270 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.15 COC1=CN=CN=C1N 4065839 [0,1,0,0,0,0|2,1,0]=4 32 B7R1.1 C#CC1=CC=CO1 4045318 [0,0,0,0,1,0|2,0,1]=4 33 B7R1.1 CCN1C=CC=N1 3020409 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.3 CC1=CN=C(O)N=C1 4090925 [1,1,0,0,0,0|2,0,0]=4 35 B8R1.8 CNCC1=CC=CS1 4087952 [0,1,0,0,1,0|2,0,0]=4 36 B8R1.8 NCCC1=CC=CO1 4087953 [0,1,0,0,1,0|2,0,0]=4 37 B8R1.8 NCCC1=CC=CS1 3020071 [0,1,0,0,1,0|2,0,0]=4 38 B8R1.8 OCCC1=CC=CO1 4039978 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [0,2,0,0,0,0|1,0,0]=3 46 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [0,2,0,0,0,0|2,0,0]=4 50 B10R1.2 CC1=C(Cl)C=CC=C1NN 4088656 [0,2,0,0,0,0|2,0,0]=4 51 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.30 CCC1=C(N)C=CC(I)=C1 4091033 [0,2,0,0,0,0|1,0,0]=3 56 B10R1.30 CCC1=CC(Cl)=CC=C1N 4091185 [0,2,0,0,0,0|1,0,0]=3 57 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [0,2,0,0,0,0|1,0,0]=3 58 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [0,2,0,0,0,0|1,0,0]=3 59 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [0,2,0,0,0,0|1,0,0]=3 62 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.172 COC1=CC(CCl)=NC=C1 4087877 [0,2,0,0,0,0|1,1,0]=4 65 B10R1.172 COC1=CC(CN)=NC=C1 4016645 [0,2,0,0,0,0|1,1,0]=4 66 B10R1.172 COC1=CC(CN)=NC=C1 4091226 [0,2,0,0,0,0|1,1,0]=4 67 B10R1.172 CSC1=CC=CC(CN)=C1 4089405 [0,2,0,0,0,0|0,0,0]=2 68 B10R1.172 N#CC1=CC(CN)=CC=C1 4088569 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.172 NCC1=CC=CC(CO)=C1 4088760 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.61 CN(C)C1=NC=CC=C1N 4089183 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.4 CC1=CC=CN=C1CCN 4002940 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.4 CNCC1=CC=CC=C1C 4090872 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.4 O=C=NC1=CC=CC=C1Br 3020265 [0,2,0,0,0,0|1,0,1]=4 84 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,2,0,0,0,0|0,0,0]=2 87 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,2,0,0,0,0|1,0,0]=3 88 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.20 CNC1=NC=CC=C1C=O 4090184 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.20 COC1=CC=CN=C1CCl 4089597 [0,2,0,0,0,0|1,1,0]=4 94 B10R1.245 COC1=C(N)C=CN=C1Cl 4049281 [0,2,0,0,0,0|1,1,0]=4 95 B10R1.245 COC1=C(N)C=CN=C1Cl 4089025 [0,2,0,0,0,0|1,1,0]=4