0 B9R1.15 CC1=CC=CN=C1CN F-405885 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 COC1=C(N)C=CC=N1 F-392693 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.15 NCC1=C(N)C=CC=C1 C-015937 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 SCC1=CC=CN=C1 F-397069 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.2 SCC1=NC=CC=C1 F-397070 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.2 CCC1=C(N)C(S)=CC=C1 F-495545 [0,1,0,0,0,0|1,0,0]=2 6 B10R1.2 NC1=CC=CC(CO)=C1O F-494901 [0,1,0,0,0,0|1,1,0]=3 7 B10R1.2 NCC1=CC=CC(Cl)=C1Cl F-452458 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.4 CC1=CC=CN=C1CCN F-123630 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.4 CCNC1=C(Cl)C=CC=C1 C-086051 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.4 CNCC1=CC=CN=C1Cl F-405894 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.4 CNCC1=NC=CC=C1C F-405863 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.25 CC1=C(NN)C=CC(Br)=C1 F-435444 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 F-428545 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.25 CC1=CC(Br)=C(NN)C=C1 F-435443 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.25 O=CC1=CC=C(O)C=C1Cl F-453388 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.30 CCC1=C(O)C=CC(N)=C1 F-498707 [0,1,0,0,0,0|0,1,0]=2 17 B10R1.30 NC1=CC(CO)=C(O)C=C1 F-494900 [0,1,0,0,0,0|1,1,0]=3 18 B10R1.30 NCC1=C(O)C=CC(F)=C1 F-369188 [0,1,0,0,0,0|1,1,0]=3 19 B10R1.30 O=CC1=C(O)C=CC(F)=C1 F-369186 [0,1,0,0,0,0|1,1,1]=4 20 B10R1.30 OCC1=C(O)C=CC(Br)=C1 F-494871 [0,1,0,0,0,0|1,1,0]=3 21 B10R1.30 OCC1=C(O)C=CC(Cl)=C1 F-494870 [0,1,0,0,0,0|1,1,0]=3 22 B10R1.30 OCC1=C(O)C=CC(F)=C1 F-369187 [0,1,0,0,0,0|1,1,0]=3 23 B10R1.245 N#CC1=C(Cl)C=CC=C1F F-137653 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.245 NCC1=C(Cl)C=CC=C1Cl F-452456 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.11 NC1=C(CO)SC=C1 F-368816 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.1 SCC1=CC=C(Cl)N=C1 F-397071 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.2 CC1=CC(CN)=NC=C1 F-405926 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.2 N#CC1=CC=CC(Br)=C1 X-048248 [1,1,0,0,0,0|1,0,1]=4 29 B9R1.2 NCC1=CC(Cl)=CC=C1 F-452453 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.6 CC(N)C1=CC=NC=C1 Q-019938 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.6 CC(N)C1=CN=CC=C1 F-203581 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.6 CC(N)C1=NC=CC=C1 F-206695 [1,1,0,0,0,0|1,0,0]=3 33 B9R1.8 CNCC1=NC=CN=C1 F-405924 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.8 N#CCC1=CN=CC=C1 F-368836 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.3 CC1=C(N)C(S)=CC=C1 F-428608 [1,1,0,0,0,0|1,0,0]=3 36 B9R1.3 CC1=C(N)C=CC=C1N F-456613 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.3 NC1=C(Br)C=CC=C1S F-495557 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.3 NC1=C(F)C=CC=C1S F-495556 [1,1,0,0,0,0|1,0,0]=3 39 B9R1.3 NC1=C(S)C=CC=C1Cl F-334403 [1,1,0,0,0,0|1,0,0]=3 40 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 F-443451 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.69 CC1=C(I)C=CC(Cl)=C1 F-443452 [1,1,0,0,0,0|1,0,0]=3 42 B9R1.69 CC1=CC(Cl)=CN=C1N F-393159 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.69 CC1=CC(N)=CC=C1O F-372365 [1,1,0,0,0,0|0,1,0]=3 44 B9R1.69 CC1=NC(N)=CC=C1Cl F-232646 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.69 NC1=C(Br)C=CC(Cl)=C1 F-443493 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.69 NC1=C(F)C=C(I)C=C1 F-277918 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.69 NC1=C(I)C=C(F)C=C1 F-277919 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.69 NC1=C(I)C=CC(Cl)=C1 F-443492 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.69 NC1=C(S)C=C(Cl)C=C1 F-334404 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.69 NC1=C(S)C=CC(Cl)=C1 F-334401 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.69 NC1=CC(Cl)=C(I)C=C1 F-443475 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.69 NC1=CC(Cl)=CN=C1S F-456886 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.69 NC1=CC(F)=C(O)C=C1 F-498709 [1,1,0,0,0,0|1,1,0]=4 54 B9R1.69 NC1=CC=C(Br)C=C1S F-495562 [1,1,0,0,0,0|1,0,0]=3 55 B9R1.69 NC1=CC=C(O)C(Br)=C1 F-498622 [1,1,0,0,0,0|1,1,0]=4 56 B9R1.69 NC1=CC=C(O)C(Cl)=C1 F-372370 [1,1,0,0,0,0|1,1,0]=4 57 B9R1.69 OC1=CC=C(F)C(Cl)=C1 F-443345 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.33 CN1C=CC=C1CCN F-452304 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.8 CCC1=C(N)C(C)=CC(N)=C1 F-432839 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.8 CCC1=C(O)C(Br)=CC(N)=C1 F-498716 [0,2,0,0,0,0|0,1,0]=3 61 B11R1.8 CCC1=C(O)C(Cl)=CC(N)=C1 F-498715 [0,2,0,0,0,0|0,1,0]=3 62 B11R1.8 CCC1=CC(Br)=CC(C)=C1Br F-433459 [0,2,0,0,0,0|1,0,0]=3 63 B11R1.8 CCC1=CC(Br)=CC(C)=C1I F-433451 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.8 CCC1=CC(Cl)=CC(C)=C1Br F-433460 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.8 CCC1=CC(Cl)=CC(C)=C1I F-433448 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.8 CCC1=CC(I)=CC(C)=C1Br F-433463 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.8 CCC1=CC(I)=CC(C)=C1I F-433452 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.8 CCC1=CC(N)=CC(C)=C1Br F-433381 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.8 CCC1=CC(N)=CC(C)=C1I F-433382 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.8 COC1=C(N)C(N)=CC(Br)=C1 F-435455 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.8 COC1=C(O)C(Br)=CC(N)=C1 F-498719 [0,2,0,0,0,0|1,1,0]=4 72 B11R1.8 COC1=C(O)C(Cl)=CC(N)=C1 F-498712 [0,2,0,0,0,0|1,1,0]=4 73 B11R1.8 NC1=CC(CO)=C(O)C(Br)=C1 F-494903 [0,2,0,0,0,0|1,1,0]=4 74 B11R1.8 NC1=CC(Cl)=CC(CO)=C1O F-494904 [0,2,0,0,0,0|1,1,0]=4 75 B11R1.8 OCC1=C(O)C(Br)=CC(Br)=C1 F-494868 [0,2,0,0,0,0|1,1,0]=4 76 B11R1.8 OCC1=C(O)C(Cl)=CC(Br)=C1 F-397674 [0,2,0,0,0,0|1,1,0]=4 77 B11R1.8 OCC1=CC(Cl)=CC(Br)=C1O F-415428 [0,2,0,0,0,0|1,1,0]=4 78 B11R1.13 CCNC1=C(C)C(Cl)=CC=C1 C-086067 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.159 CC(C)C1=C(N)C(S)=CC=C1 F-495546 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.265 COC1=C(C#N)C=CC=C1C F-393290 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.17 CCCNC1=C(Cl)C=CC=C1 C-086310 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.17 NCCSC1=C(N)C=CC=C1 POD_16/0196 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.17 [N-]=[N+]=NCC1=C(Cl)C=CC=C1 F-369325 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.81 CCNC1=C(C)C=C(C)C=C1 C-086055 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.81 N#CCC1=CC=C(Cl)C=C1Cl C-029795 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.86 CC(=O)NC1=CC=CC=C1N F-137844 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.86 CC1=CC=CN=C1CC(C)N F-123581 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.86 CC1=CC=CN=C1CC(C)O F-123582 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.86 NC1=CC=CC=C1CC(=O)O F-335979 [0,2,0,0,0,0|1,0,1]=4 90 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 M-057888 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.182 CCNC1=C(C)C=CC(C)=C1 C-086066 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.182 CCOC1=C(O)C=CC(N)=C1 F-498710 [0,2,0,0,0,0|0,1,0]=3 93 B11R1.222 CCC(=O)C1=C(Cl)N=CC=C1 F-399829 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.37 COC1=C(C#N)C=C(C)C=C1 F-431398 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.37 COC1=C(C#N)C=C(F)C=C1 F-369194 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 F-432055 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.37 COC1=C(C#N)C=CC(Cl)=C1 F-432017 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.37 COC1=C(C#N)C=CC(I)=C1 F-432056 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.37 COC1=C(C=O)C=C(F)C=C1 Z-003166 [0,2,0,0,0,0|1,1,0]=4 100 B11R1.37 COC1=C(CN)C=C(F)C=C1 F-369173 [0,2,0,0,0,0|1,1,0]=4 101 B11R1.37 COC1=C(CO)C=C(F)C=C1 F-369167 [0,2,0,0,0,0|1,1,0]=4 102 B11R1.37 COC1=C(NN)C=CC(Br)=C1 F-435445 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.37 COC1=CC=C(Br)C=C1C#N M-153158 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.53 CCC1=CC=CC=C1B(O)O F-123565 [0,2,0,0,0,0|0,1,0]=3 105 B11R1.166 CC1=C(N(C)C)C=CC(N)=C1 F-432298 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.166 CC1=CC=C(N(C)C)C(N)=C1 F-432307 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.166 CN(C)C1=C(Br)C=C(I)C=C1 F-443421 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 F-432497 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.166 CN(C)C1=CC=C(N)C=C1Cl F-432420 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.279 COC1=C(F)C=C(C#N)C=C1 F-434771 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.279 COC1=CC=C(CO)C=C1N F-369348 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.464 CCC1=C(C)N=C(N)N=C1S F-333067 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.167 CC(C)C1=C(O)C=CC(N)=C1 F-498708 [0,2,0,0,0,0|0,1,0]=3 114 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 Q-018553 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.280 COC1=CC(C#N)=CC=C1C F-396663 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.280 COC1=CC(CN)=CC=C1C F-396670 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.156 CN(C)C1=C(N)C=CC=C1Cl F-349383 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.21 CCC1=CNC(C=O)=C1 F-453679 [0,0,1,1,0,0|2,0,0]=4 119 B11R2.20 C1=CC=C2SCC=NC2=C1 F-399779 [0,1,0,1,0,0|0,0,1]=3 120 B7R1.1 NCC1=CC=CN1 F-453876 [1,0,0,0,1,0|2,0,0]=4