0 B11R1.280 COC1=CC(C=O)=CC=C1F F0001-0398 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.280 COC1=CC(OC)=C(S)C=C1 F8882-1626 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.30 CC1=CC=C(Cl)C(CN)=C1 F1913-1595 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.172 COC1=NC=CC(CO)=C1 F8882-4438 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.172 N#CC1=CC(CCl)=CC=C1 F0001-1744 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.172 OCC1=CC=CC(CO)=N1 F0001-0321 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.176 CC1=CC(C=O)=CC=C1F F0001-0459 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.176 CC1=CC=C(C#N)C=C1C F9995-1329 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.176 COC1=CC(C)=C(Cl)C=C1 F0001-0443 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.78 COC1=C(OC)C=C(CO)C=C1 F0001-2235 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 F0001-1160 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.78 COC1=CC=C(CN)C(OC)=C1 F1967-1679 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 F0001-2306 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.449 COC1=CC(OC)=C(Cl)C=C1N F0001-2305 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.2 CC1=CC(CCl)=CN=C1 F1910-8464 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.2 CC1=CN=CC(CO)=C1 F1910-8475 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.2 CCC1=CC=CC(N)=C1 F0001-1535 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.2 ClCC1=CC(Br)=CC=C1 F0001-2247 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.2 NCC1=CC=CC(I)=C1 F1967-6740 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.69 CC1=C(Br)C=CC(N)=C1 F2190-0485 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.69 CC1=C(Cl)C=CC(F)=C1 F0001-0985 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.69 CC1=C(N)C=C(O)C=C1 F8885-5433 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.69 CC1=C(O)C=CC(O)=C1 F0001-2277 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.69 CC1=CC=C(Br)C(C)=C1 F3145-2900 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.69 NC1=C(F)C=CC(O)=C1 F2108-0123 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.69 NC1=CC=C(O)C(N)=C1 F0001-2429 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.69 OC1=CC(Cl)=C(Cl)C=C1 F0001-2280 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.69 OC1=CC=C(Cl)C(O)=C1 F0001-2284 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.1 FC1=CC=C(CCl)C=C1 F2190-0253 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.37 COC1=NC(C)=CC=C1C#N F2130-0104 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.167 CC(=O)C1=CC(C)=CC=C1C F0001-0768 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 F2169-1229 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.277 COC1=C(N)C=C(C)C(Cl)=C1 F3098-0019 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.9 COC1=CC(Cl)=CC(C#N)=C1 F1913-3588 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.9 COC1=CC(Cl)=CC(C=O)=C1 F1913-3591 [1,1,0,0,0,0|0,0,2]=4 35 B11R1.189 COC1=CC(CNN)=CC=C1 F2169-0409 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.189 COC1=CC=CC(N=[N+]=[N-])=C1 F2157-0472 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.266 COC1=CC(C(=O)Cl)=CC=C1 F2190-0046 [1,1,0,0,0,0|0,0,2]=4 38 B11R1.267 CCC1=CC=CC(CC)=C1N F0001-1508 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 F0001-1971 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.192 CNCC1=CC(C)=C(C)C=C1 F8885-5256 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.279 COC1=CN=C(CO)C=C1O F2158-0447 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.49 COC1=CC(C(=N)NO)=CC=C1O F2158-0197 [0,2,0,0,0,0|0,0,1]=3 43 B11R2.36 NC1=CC=C2OCCC2=C1 F5608-0055 [1,0,0,1,0,0|2,0,0]=4 44 B13R2.430 O=C(Cl)C1=CC=C2OCOC2=C1 F2146-0483 [0,1,0,1,0,0|0,0,2]=4 45 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCO2 F0001-3419 [0,1,0,1,0,0|1,0,1]=4 46 B13R2.599 CC1=C(C=O)C=C2OCOC2=C1 F9995-2701 [0,1,0,1,0,0|0,0,2]=4