0 B10R1.3 C#CC1=CC=C(SC)C=C1 F8883-2340 [0,0,0,0,0,0|1,1,1]=3 1 B10R1.3 C#CC1=NC=C(OC)C=C1 F2197-7975 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.3 C#CC1=NC=C(OC)C=N1 F2197-7977 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.3 COC1=CN=C(CN)N=C1 F1913-3653 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.1 C#CC1=CC=C(I)C=C1 F2147-2872 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.1 O=CC1=NC=C(F)C=N1 F2147-5287 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.3 C=C(F)C1=CC=C(OC)C=C1 F1967-2982 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.3 CCC1=CN=C(C(=O)O)N=C1 F1903-9866 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.3 COC1=CN=C(C(=O)O)N=C1 F1913-3654 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.83 C#CC1=CC=C(OCC)N=C1 F1913-1307 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.83 OCCC1=CC=C(CBr)C=C1 F2147-4220 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.21 CCC1=CC(C=O)=CS1 F2147-5372 [0,0,0,0,1,0|2,0,0]=3 12 B9R1.21 COC1=CC(C=O)=NN1 F1913-1788 [0,0,0,0,1,0|2,0,0]=3 13 B9R1.21 O=CC1=CC=C(CBr)O1 F1913-1504 [0,0,0,0,1,0|3,0,0]=4 14 B8R1.2 C=CC1=CN=CC=C1 F8884-7078 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.13 C=C(F)C1=CC=C(C)C=C1 F1967-2979 [1,1,0,0,0,0|1,0,0]=3 16 B10R1.13 C=C(F)C1=CC=C(Cl)C=C1 F1967-2980 [1,1,0,0,0,0|2,0,0]=4 17 B10R1.13 C=C(F)C1=CC=C(F)C=C1 F1967-2981 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.13 OC1=CC=C(C(F)F)C=C1 F2147-4562 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.25 CC1=NC=C(C=O)C(N)=N1 F2113-0624 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.176 COC1=CC(C)=C(S)C=C1 F8882-1625 [1,1,0,0,0,0|0,1,0]=3 21 B10R1.31 CC(C)C1=CC(C=O)=CS1 F2147-5370 [0,1,0,0,1,0|2,0,0]=4 22 B10R1.96 CCOC1=CC(C=O)=NN1 F1913-1789 [0,1,0,0,1,0|2,0,0]=4 23 B12R1.5 COC1=CC=C(C(C)C=O)C=C1 F1967-2634 [0,2,0,0,0,0|0,0,0]=2 24 B12R1.5 COC1=CC=C(C(F)CBr)C=C1 F1967-2965 [0,2,0,0,0,0|1,0,1]=4 25 B12R1.5 COC1=CC=C(C(F)CN)C=C1 F1967-2993 [0,2,0,0,0,0|1,0,1]=4 26 B12R1.5 COC1=CC=C(C(N)CCl)C=C1 F2185-0701 [0,2,0,0,0,0|1,0,1]=4 27 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 F1904-6309 [0,2,0,0,0,0|2,0,0]=4 28 B12R1.113 CCOC1=CN=C(C(=O)O)N=C1 F1913-3655 [0,2,0,0,0,0|2,0,0]=4 29 B12R1.113 O=[N+]([O-])C1=CC=C(OCCl)C=C1 F8884-5431 [0,2,0,0,0,0|1,0,0]=3 30 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 F1911-5519 [0,2,0,0,0,0|1,0,0]=3 31 B12R1.4 C#CC1=CC=C(OC(F)F)C=C1 F8883-2301 [0,2,0,0,0,0|1,0,1]=4 32 B12R1.71 COC1=CC=C(C#CCO)C=C1 F2147-0722 [0,2,0,0,0,0|0,0,2]=4 33 B12R1.71 NCC#CC1=CC=C(C=O)C=C1 F2167-5620 [0,2,0,0,0,0|1,0,0]=3 34 B12R1.71 NCC#CC1=NC=C(C=O)C=C1 F2167-5545 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.71 O=CC1=CC=C(OCCF)N=C1 F1913-1317 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.71 O=CC1=CN=C(C#CCO)C=C1 F2167-5428 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.114 COC1=CC(C)=C(N=[N+]=[N-])C=C1 F2157-0493 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.288 CNCC1=CC=C(OC)C(Br)=C1 F2169-1236 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.288 COC1=C(Cl)C=C(N=[N+]=[N-])C=C1 F2157-0539 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.288 COC1=C(F)C=C(N=[N+]=[N-])C=C1 F2157-0501 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.78 COC1=CC(NN)=C(OC)C=C1 F0865-0012 [0,2,0,0,0,0|2,0,0]=4 42 B12R2.44 C#CC1=CC2=C(C=C1)OCC2 F2147-2311 [0,1,0,1,0,0|1,0,1]=4 43 B10R1.172 C#CC1=CC(OC)=CN=C1 F1913-0342 [0,0,0,0,1,1|1,0,1]=4 44 B10R1.172 C#CC1=CC(OC)=NC=C1 F2197-2464 [0,0,0,0,1,1|1,0,1]=4 45 B10R1.172 C#CC1=NC=CC(OC)=C1 F2197-2462 [0,0,0,0,1,1|1,0,1]=4 46 B10R1.172 COC1=NC=CC(CCl)=C1 F1910-8465 [0,0,0,0,1,1|1,0,1]=4