0 B11R2.1 NC1=NOC2=C1C=CC=C2 BB0218926 [0,0,0,0,0,0|1,0,0]=1 1 B11R2.1 SC1=NN=C2C=CC=CN12 BB0270222 [0,0,0,0,0,0|2,1,0]=3 2 B10R2.7 C1=CC2=C(C=C1)NN=C2 BB0219702 [1,0,0,0,0,0|1,0,0]=2 3 B10R2.7 C1=CC2=C(C=N1)NN=C2 BB0272399 [1,0,0,0,0,0|2,0,0]=3 4 B10R2.7 C1=CC2=NSN=C2C=C1 BB0266571 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.1 N#CC1=CNC2=C1C=CC=C2 BB0242412 [0,1,0,0,0,0|3,0,0]=4 6 B12R2.1 NCC1=NN=C2C=CC=CN21 BB0270227 [0,1,0,0,0,0|3,0,0]=4 7 B12R2.1 OCC1=C2C=CC=CN2N=C1 BB0270552 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 BB0268501 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 BB0268317 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.132 OC1=NNC2=C1C=C(I)C=C2 BB0268362 [0,1,0,0,0,0|1,0,0]=2 11 B12R2.203 NC1=NOC2=CC=CC(F)=C21 BB0259633 [0,1,0,0,0,0|1,0,0]=2 12 B12R2.612 CC1=NC2=C(C=C1)C(N)=NN2 BB0219104 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 BB0217042 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 BB0267948 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.2028 N[C@H]1CC(=O)C2=C1C=CC=C2 BB0216357 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB0270313 [0,0,1,0,0,0|2,0,1]=4 17 B10R1.15 C\C(=N/O)C1=CC=CC=C1 BB0268020 [0,0,1,0,0,0|1,0,0]=2 18 B10R1.15 N\C(=N/O)C1=CC=NC=C1 BB0269874 [0,0,1,0,0,0|2,0,0]=3 19 B10R1.15 N\C(=N/O)C1=CN=CC=C1 BB0269872 [0,0,1,0,0,0|2,0,0]=3 20 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BB0269871 [0,0,1,0,0,0|2,0,0]=3 21 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 BB0269449 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.20 COC1=C(NN)C=CC=C1 BB0219954 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.20 N#CC1=C(C=O)C=CC=C1 BB0267783 [0,0,1,0,0,0|1,0,2]=4 24 B10R1.61 CC1=C(C(=O)O)C=CC=C1 BB0269526 [0,0,1,0,0,0|2,0,0]=3 25 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 BB0267985 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BB0285709 [0,0,1,0,0,0|2,0,0]=3 27 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 BB0270076 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 BB0270107 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.61 O=C(O)C1=C(F)C=NC=C1 BB0270722 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.61 O=C(O)C1=C(O)C=CN=C1 BB0269959 [0,0,1,0,0,0|2,0,0]=3 31 B10R1.61 O=C(O)C1=CC=CN=C1S BB0242382 [0,0,1,0,0,0|2,1,0]=4 32 B12R2.24 IC1=CC2=CC=CC=C2C=C1 BB0220370 [0,0,0,0,0,1|3,0,0]=4 33 B12R2.24 NC1=CC2=CC=CC=C2C=C1 BB0266016 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.24 NC1=CC2=CC=CC=C2N=C1 BB0237444 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 BB0219703 [0,0,0,0,0,1|2,0,1]=4 36 B12R2.24 OC1=CC2=NC=CC=C2C=C1 BB0270513 [0,0,0,0,0,1|3,0,0]=4 37 B12R2.1081 BrC1=CN=CC2=CC=CN=C12 BB0270118 [0,0,0,0,0,1|3,0,0]=4 38 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BB0270511 [0,0,0,0,0,1|3,0,0]=4 39 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 BB0256889 [0,0,0,0,0,1|2,0,1]=4 40 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 BB0276440 [0,0,0,0,0,1|1,0,1]=3 41 B12R2.1081 S=C1C=CNC2=C1C=CC=C2 BB0241258 [0,0,0,0,0,1|2,1,0]=4 42 B12R2.1081 SC1=NC=CC2=CC=CC=C21 BB0218925 [0,0,0,0,0,1|1,1,0]=3 43 B9R1.6 C=C(C)C1=CC=CC=C1 BB0220511 [1,0,1,0,0,0|2,0,0]=4 44 B9R1.6 C[C@H](O)C1=CC=CC=C1 BB0265980 [1,0,1,0,0,0|1,0,1]=4 45 B9R1.6 N=C(N)C1=CC=CN=C1 BB0221335 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.6 O=C(O)C1=CC=CC=C1 BB0269653 [1,0,1,0,0,0|0,0,1]=3 47 B9R1.6 OB(O)C1=CC=CC=C1 BB0287082 [1,0,1,0,0,0|1,0,0]=3 48 B9R1.6 OB(O)C1=CC=NC=C1 BB0269520 [1,0,1,0,0,0|2,0,0]=4 49 B9R1.6 OB(O)C1=NC=CC=C1 BB0261469 [1,0,1,0,0,0|2,0,0]=4 50 B9R1.8 OCCC1=CC=CC=C1 BB0267987 [1,0,1,0,0,0|1,0,1]=4 51 B9R1.8 O\N=C\C1=CN=CC=C1 BB0290909 [1,0,1,0,0,0|1,0,0]=3 52 B9R1.15 COC1=C(I)C=CC=C1 BB0265900 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.15 OCC1=C(I)C=CC=C1 BB0265909 [1,0,1,0,0,0|1,0,1]=4 54 B11R1.12 CC\C(=N\O)C1=CC=CC=C1 BB0293018 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BB0291830 [0,1,1,0,0,0|1,0,0]=3 56 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 BB0293237 [0,1,1,0,0,0|1,0,0]=3 57 B11R1.1 C=CCOC1=CC=C(N)C=C1 BB0288128 [0,1,1,0,0,0|2,0,0]=4 58 B11R1.17 C=CCOC1=C(N)C=CC=C1 BB0288977 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.24 C=CCOC1=CC(N)=CC=C1 BB0293048 [0,1,1,0,0,0|2,0,0]=4 60 B11R1.28 OCC\N=C\C1=CC=CC=C1 BB0258827 [0,1,1,0,0,0|1,0,1]=4 61 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB0268017 [0,1,1,0,0,0|2,0,0]=4 62 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 BB0254318 [0,1,1,0,0,0|1,0,1]=4 63 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB0266926 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 BB0216194 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 BB0267786 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.265 COC1=C(C=O)C=CC=C1C BB0221326 [0,1,1,0,0,0|1,0,1]=4 67 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BB0267000 [0,1,1,0,0,0|1,0,0]=3 68 B11R1.159 O=C(O)C1=CC=CC(Br)=C1O BB0266790 [0,1,1,0,0,0|1,0,0]=3 69 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O BB0266864 [0,1,1,0,0,0|1,0,0]=3 70 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB0267060 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 BB0267732 [0,1,1,0,0,0|1,0,1]=4 72 B11R1.167 NC(=O)C1=C(O)C=CC(Cl)=C1 BB0293054 [0,1,1,0,0,0|0,0,2]=4 73 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 BB0244022 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 BB0244021 [0,1,1,0,0,0|2,0,0]=4 75 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 BB0244024 [0,1,1,0,0,0|2,0,0]=4 76 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 BB0245937 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 BB0244986 [0,1,1,0,0,0|2,0,0]=4 78 B11R2.10 CC1=CC2=C(C=CC=C2)S1 BB0270588 [1,1,0,0,0,0|1,1,0]=4 79 B11R2.10 NC1=NC2=C(C=CC=C2)O1 BB0221056 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.36 NC1=CC2=C(C=C1)N=CO2 BB0266013 [1,1,0,0,0,0|2,0,0]=4 81 B11R2.106 BrC1=C2C=NNC2=CC=C1 BB0268318 [1,1,0,0,0,0|1,0,0]=3 82 B11R2.106 CC1=CC=CC2=C1NN=C2 BB0267132 [1,1,0,0,0,0|1,0,0]=3 83 B11R2.106 ClC1=C2NN=NC2=CC=C1 BB0246178 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 BB0245398 [0,1,0,0,0,1|2,0,0]=4 85 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 BB0276575 [0,1,0,0,0,1|2,0,0]=4 86 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 BB0255285 [0,1,0,0,0,1|1,0,1]=4 87 B13R2.155 CC1=NC=C2C=CC(Cl)=CC2=C1 BB0268290 [0,1,0,0,0,1|2,0,0]=4 88 B13R2.155 CC1=NC=C2C=CC(F)=CC2=C1 BB0268289 [0,1,0,0,0,1|2,0,0]=4 89 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 BB0254440 [0,1,0,0,0,1|2,0,0]=4 90 B13R2.162 ClC1=NC=C2C=CC=C(Br)C2=N1 BB0261731 [0,1,0,0,0,1|2,0,0]=4 91 B13R2.328 CC1=NC(=O)C2=C(C=CC=C2)N1 BB0284380 [0,1,0,0,0,1|2,0,0]=4 92 B13R2.328 CC1=NC2=CC=CC=C2C(O)=N1 BB0286884 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O BB0270289 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.3683 ClC1=NC=C2C=C(Br)C=CC2=N1 BB0268354 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 BB0220620 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.342 OC1=C2C=CC=C(Cl)C2=NC=C1 BB0221939 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.342 OC1=C2C=CC=C(F)C2=NC=C1 BB0221884 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.342 OC1=NC=CC2=C(O)C=CC=C12 BB0270292 [0,1,0,0,0,1|1,0,0]=3 99 B13R2.371 ClC1=NN=C(Cl)C2=CC=CC=C21 BB0258785 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.371 OC1=CC=C(Br)C2=CC=CC=C12 BB0277870 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.371 OC1=NC=C(Br)C2=CC=CN=C21 BB0270115 [0,1,0,0,0,1|2,0,0]=4 102 B13R2.1613 N#CC1=NC=CC2=CC=CC=C21 BB0268026 [0,1,0,0,0,1|2,0,0]=4 103 B13R2.1 O\N=C\C1=CNC2=C1C=CC=C2 BB0291832 [0,2,0,0,0,0|2,0,0]=4 104 B13R2.72 O=C(O)C1=NC=C2C=CC=CN21 BB0262471 [0,2,0,0,0,0|2,0,0]=4 105 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 BB0216340 [0,2,0,0,0,0|1,0,0]=3 106 B13R2.72 O=C(O)C1=NNC2=C1C=CC=N2 BB0258953 [0,2,0,0,0,0|2,0,0]=4 107 B13R2.662 NCC1=NNC2=C1C=CC(F)=C2 BB0270495 [0,2,0,0,0,0|2,0,0]=4 108 B13R2.5180 CC1=C(O)C=CC2=C1OCC2=O BB0266132 [0,2,0,0,0,0|1,0,1]=4 109 B13R2.5180 O=C1COC2=C1C=CC(O)=C2O BB0270562 [0,2,0,0,0,0|1,0,1]=4 110 B13R2.11642 CC1=C2C(=O)COC2=CC(O)=C1 BB0270203 [0,2,0,0,0,0|1,0,1]=4 111 B13R2.11642 CC1=CC(O)=C2C(=O)COC2=C1 BB0270206 [0,2,0,0,0,0|1,0,1]=4 112 B9R1.11 C\C(=N/O)C1=CC=CS1 BB0286878 [0,0,1,0,1,0|2,0,0]=4 113 B9R1.11 N\C(=N/O)C1=CC=CS1 BB0218105 [0,0,1,0,1,0|2,0,0]=4 114 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 BB0267066 [0,0,1,0,0,1|1,0,1]=4 115 B11R1.86 NC(=S)NC1=C(O)C=CC=C1 BB0245298 [0,0,1,0,0,1|0,1,1]=4 116 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 BB0269522 [0,0,1,0,0,1|2,0,0]=4 117 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 BB0268068 [0,0,1,0,0,1|2,0,0]=4