0 B10R1.39 CCN1C=NC=C1C(=O)O BB32-3716 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.14 CCC1=CNC=C1CC BB31-3139 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.14 CCN1C=CC=C1CN BB51-0596 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.14 CCN1C=CN=C1C=O BB52-0220 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.14 CCN1C=CN=C1CO BB52-0214 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.14 CCN1C=NC=C1CO BB31-7683 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.14 COC1=C(C=O)OC=C1 BB32-1842 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.41 CC(=O)C1=CNC=C1C BB31-4047 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.41 CN1C=CN=C1C(=N)N BB32-3991 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.41 CN1N=CN=C1C(=O)O BB32-3983 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.41 CN1N=NC=C1C(=O)O BB31-6962 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.41 NC(=O)C1=CC=CN1N BB31-3190 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.193 CC(C)C1=NC=CN1CCCl BB53-0467 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.193 CC(C)C1=NC=CN1CCN BB53-0637 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.193 CC(C)C1=NC=CN1CCO BB53-0352 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.193 O=[N+]([O-])C1=CN=CN1CCO BB31-6023 [0,1,0,0,0,0|3,0,0]=4 16 B11R2.106 CC1NCCN2C=CC=C12 BB54-3527 [0,0,0,1,0,0|1,0,1]=3 17 B11R2.106 O=C1CCCC2=C1C=NO2 BB31-6029 [0,0,0,1,0,0|3,0,0]=4 18 B11R2.106 O=C1CCCC2=CNC=C12 BB52-7004 [0,0,0,1,0,0|2,0,0]=3 19 B11R2.106 O=C1N=CNN2C=CC=C12 BB32-0446 [0,0,0,1,0,0|2,0,1]=4 20 B11R2.106 O=C1NC=CN2C=CC=C12 BB31-2046 [0,0,0,1,0,0|1,0,2]=4 21 B11R2.106 O=C1NCCN2N=CC=C12 BB31-7526 [0,0,0,1,0,0|2,0,0]=3 22 B11R2.202 NC1CC(=O)C2=C1C=CS2 BB31-8269 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 BB31-9300 [0,0,0,0,0,1|1,0,2]=4 24 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 BB31-5819 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 BB32-0506 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.53 COC1=C(C(N)=O)C=NC=C1 BB31-7215 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.57 CCC1=NC=CN1CC(C)=O BB52-8505 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 BB32-3000 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 BB31-7616 [0,0,0,0,0,1|1,0,0]=2 30 B11R1.266 CCC1=CC=CC([N+](=O)[O-])=C1 BB31-7022 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.266 CNC1=CC=CC(C(=O)O)=C1 BB31-5735 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.266 COC1=CC(C(C)=O)=NC=C1 BB32-3151 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.11 CC1=CSC=C1C=O BB32-4004 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.11 CCN1C=CN=C1Br BB32-3689 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.11 CCN1N=CC=C1O BB31-7938 [2,0,0,0,0,0|1,0,1]=4 36 B8R1.11 CN1C=CC=C1CN BB51-0595 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.11 CN1C=CN=C1C=O BB52-0221 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.11 CN1N=NC=C1C=O BB31-3769 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.7 NC(=O)C1=NC=CN1 BB31-3274 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.7 O=[N+]([O-])C1=CC=CN1 BB31-4901 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.5 CCC1=NC=CN1CCCl BB52-8432 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.5 CCC1=NC=CN1CCN BB52-8962 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.5 CCC1=NC=CN1CCO BB52-8507 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.5 CCCN1C=CC=C1CN BB51-0597 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.5 CCCN1C=CN=C1C=O BB52-0219 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.149 CN1C=CC=C1C(=O)CCl BB31-4260 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.149 COC(=O)C1=CN=NN1C BB31-6199 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.149 COC(=O)C1=CNC=C1C BB32-1705 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.149 COC(=O)C1=CSC=C1C BB32-3581 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.192 CC1=C(C(=O)O)N(C)N=C1 BB31-2071 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.194 CC1=CC=C(C(=O)O)N1C BB31-8717 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O BB31-1252 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.77 COC(=O)C1=C(CBr)C=CC=N1 BB31-0495 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.77 COC(=O)C1=CC=CN=C1CBr BB31-0496 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.87 CCC1=C(Br)C=CC=C1C(=O)O BB31-5768 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.261 CC(=O)C1=C(N(C)C)C=CC=C1 BB31-9433 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.283 CCOC1=NC=CC=C1C(=O)O BB52-2370 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.283 COCC1=C(C(=O)O)C=CC=C1 BB31-6470 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 BB31-8485 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 BB31-5048 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.11 COC1=CC(C)=CC(C(C)=O)=C1 BB32-2711 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 BB32-2095 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.279 O=C(O)C1=CC(CCO)=CC=C1 BB32-1360 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.435 COC(=O)C1=CC=CC(CCl)=N1 BB31-7705 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.435 COC1=CC=CC(C(=O)CN)=C1 BB31-7626 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.440 COC1=CC=CC(C(C)=O)=C1N BB32-1938 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.440 COC1=CC=CC(C(C)=O)=C1O BB31-6997 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.453 CCC1=CC(C(=O)O)=C(O)C=C1 BB31-6008 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 BB31-4270 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.276 CCCN1N=C(N)C=C1C(=O)O BB05-4268 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.607 CCC1=NN(CC)C(C(=O)O)=C1 BB31-4413 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.4 CCNC1=C(O)C=CC=C1 BB31-4887 [0,0,1,1,0,0|0,0,2]=4 75 B10R2.7 C1=CN2CCCCC2=N1 BB32-1983 [1,0,0,1,0,0|1,0,1]=4 76 B10R2.7 C1=NN2CCCNC2=C1 BB51-1803 [1,0,0,1,0,0|2,0,0]=4 77 B10R2.32 O=C1CCC2=C1C=CS2 BB32-3136 [1,0,0,1,0,0|2,0,0]=4 78 B10R2.32 O=C1CCC2=CNC=C12 BB31-7130 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.1081 O=C1CCCC2=C1C=CN=C2 BB31-7974 [0,0,0,1,0,1|1,0,0]=3 80 B12R2.1081 O=C1CCOC2=C1C=NC=C2 BB31-7283 [0,0,0,1,0,1|2,0,0]=4 81 B12R2.1081 O=C1CCOC2=CC=CN=C12 BB31-7810 [0,0,0,1,0,1|2,0,0]=4 82 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [0,0,0,1,0,1|2,0,0]=4 83 B12R2.2028 NC1CC(=O)C2=C1C=CC=C2 BB32-0444 [0,0,0,1,0,1|2,0,0]=4 84 B12R2.229 O=C1CCCCN2N=CC=C12 BB31-3852 [0,1,0,1,0,0|1,0,0]=3 85 B12R2.196 CC1=C2CCCC(=O)C2=CN1 BB52-7007 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.20 CNC1=NC=CC=C1C=O BB52-1560 [1,0,0,0,0,1|2,0,0]=4 87 B10R1.20 COC1=C(C=O)C=CN=C1 BB32-0612 [1,0,0,0,0,1|2,0,0]=4 88 B10R1.172 CSC1=CC(C=O)=CC=C1 BB31-7190 [1,0,0,0,0,1|2,0,0]=4 89 B10R1.172 O=CC1=CC(CO)=CC=C1 BB32-2221 [1,0,0,0,0,1|2,0,0]=4 90 B10R1.31 CCN1C=C(C(N)=O)C=N1 BB31-9092 [0,0,0,0,1,1|2,0,0]=4