0 B10R1.25 C#CC1=NC=C(Br)C=C1C F2167-5080 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.25 C#CC1=NC=C(C)C=C1F F2167-5051 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.25 C#CC1=NC=C(F)C=C1C F2167-5052 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.25 CCC1=C(C)C=C(N)N=N1 F8883-3485 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.25 COC1=C(S)N=C(C)N=C1 F2147-1090 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.25 COC1=CN=C(N)NC1=O F2147-1590 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 C#CC1=CC=C(I)C=C1 F2147-2872 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.15 C#CC1=C(C)C=NC=C1 F2197-7936 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.15 COC1=C(S)N=CN=C1 F2147-1088 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.69 CC1=NC(N)=C(O)C=N1 F8889-2641 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.37 C#CC1=C(OC)C=CC(Br)=C1 F2147-2792 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.37 CNC1=C(OC)C=NC(C)=N1 F2147-1560 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.37 COC1=CN=C(Cl)N=C1OC F2147-2449 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.81 CC1=C(N=[N+]=[N-])C=CC(F)=C1 F2157-0474 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.81 CC1=CC(Br)=CC=C1N=[N+]=[N-] F2157-0590 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.81 CCOC1=CN=C(C)N=C1Cl F2147-1298 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.81 CCOC1=CN=C(C)N=C1N F2147-5277 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.81 CCOC1=CN=C(C)NC1=O F2147-1296 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.81 CCOC1=CN=C(C)NC1=S F2147-1297 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.277 COC1=C(F)C=C(N)C(S)=C1 F8886-7139 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.279 CCN1C=CC(CN)=CC1=O F2197-1519 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.464 CC1=CC(C)=NC(Br)=C1C#N F3099-7215 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.464 CC1=CC(C)=NC(N)=C1CN F2113-0150 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.464 CC1=NC(C)=C(C#N)C(Cl)=C1 F8881-6852 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.464 CC1=NC(C)=C(C#N)C(O)=C1 F8880-7524 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.464 CCC1=C(Br)N=C(C)N=C1C F1911-6441 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.464 CCC1=C(N)N=C(C)N=C1C F8882-8559 [0,1,0,0,0,0|3,0,0]=4 27 B11R2.36 OC1=CC2=C(C=C1)OCC2 F2185-1890 [0,0,0,1,0,0|1,0,0]=2 28 B11R2.36 SC1=CC2=C(C=C1)OC=C2 F1913-5807 [0,0,0,1,0,0|1,0,2]=4 29 B11R2.36 SC1=CC2=C(C=C1)OCO2 F1913-5805 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.22 CC1=CC(C=O)=C(C)O1 F2148-0238 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.132 COC1=C(Br)N(C)N=C1 F8888-4664 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.3 C#CC1=CC=C(SC)C=C1 F8883-2340 [1,1,0,0,0,0|0,1,1]=4 33 B10R1.3 C#CC1=NC=C(OC)C=C1 F2197-7975 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.3 COC1=CN=C(CN)N=C1 F1913-3653 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.13 C=C(F)C1=CC=C(C)C=C1 F1967-2979 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.176 COC1=CC(C)=C(S)C=C1 F8882-1625 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.20 C#CC1=CC=CN=C1OC F2147-2845 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.20 C#CC1=NC=CC=C1OC F2197-2457 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.20 CNC1=C(OC)C=NC=N1 F2147-1588 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.20 COC1=CC=CN=C1CN F2147-1532 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.20 COC1=CN=CC=C1C#N F2147-2154 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.22 CC1=CC(C)=C(N)C(=O)N1 F2113-0156 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.22 CC1=NC(Br)=C(C)C(C)=N1 F1911-6364 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.22 CC1=NC(C)=C(N)C(N)=C1 F8881-6182 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.22 CC1=NC(N)=C(C)C(C)=N1 F8880-4591 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.119 CC1=C(Cl)C(C)=C(N)C=N1 F1957-0013 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.35 COC1=CC(CO)=NN1C F2147-5478 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.130 CNCC1=C(C)OC(C)=C1 F2148-2244 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.46 COC1=C(C(C)O)C=C(Br)C=C1 F2185-0062 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.78 COC1=CC(NN)=C(OC)C=C1 F0865-0012 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.112 CCOC1=CN=C(C)N=C1NC F2147-5279 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.234 COC1=C(OC)C(Br)=CC(O)=C1 F2185-1864 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.234 COC1=C(OC)C(O)=CC(Br)=C1 F2185-1876 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.234 COC1=C(OC)C(O)=CC(Cl)=C1 F2185-1881 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.268 COC1=CC=C(Cl)C=C1N=[N+]=[N-] F2157-0540 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.69 CC1=CC(C)=C(CN=[N+]=[N-])C=C1 F1908-2352 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.114 COC1=CC(C)=C(N=[N+]=[N-])C=C1 F2157-0493 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.1095 CC1=CC(C)=C(N=[N+]=[N-])C(C)=C1 F2157-0487 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.1703 CC1=CC=C(C(=O)C=O)C(C)=C1 F0904-7466 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.1703 CC1=CC=C(C(O)CN)C(Cl)=C1 F2189-0858 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.1703 CCC(N)C1=CC=C(C)C=C1Cl F2167-2019 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.288 CNCC1=CC=C(OC)C(Br)=C1 F2169-1236 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.288 COC1=C(Cl)C=C(N=[N+]=[N-])C=C1 F2157-0539 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.288 COC1=C(F)C=C(N=[N+]=[N-])C=C1 F2157-0501 [0,2,0,0,0,0|2,0,0]=4 65 B12R2.24 ClC1=NC=C2COCCC2=C1 F2147-2988 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.24 NC1=CC2=C(C=C1)OCCC2 F8880-3780 [0,1,0,1,0,0|1,0,0]=3 67 B12R2.24 NC1=CC=C2CNCCC2=C1 F1913-1628 [0,1,0,1,0,0|2,0,0]=4 68 B12R2.24 NC1=CC=C2COCCC2=C1 F2147-2750 [0,1,0,1,0,0|1,0,0]=3 69 B12R2.24 NC1=CC=C2CSCCC2=C1 F2147-2749 [0,1,0,1,0,0|1,1,0]=4 70 B12R2.24 O=C1C=C2CCOCC2=CN1 F2147-2987 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.132 CC1=COC2=C1C=C(Cl)C=C2 F8880-6181 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.132 CC1=COC2=C1C=C(F)C=C2 F1911-5570 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.132 NC1COC2=CC=C(Br)C=C21 F2196-0104 [0,1,0,1,0,0|1,0,0]=3 74 B12R2.246 OC1=CC2=C(OCO2)C(Br)=C1 F2185-1871 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.246 OC1=CC2=C(OCO2)C(Cl)=C1 F2185-1870 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.606 CC1CC2=CC(Br)=CC=C2N1 F2124-0403 [0,1,0,1,0,0|2,0,0]=4 77 B12R2.606 CN1CC2=C(C=C(N)C=C2)C1 F1904-0027 [0,1,0,1,0,0|2,0,0]=4 78 B12R2.44 C#CC1=CC2=C(C=C1)OCC2 F2147-2311 [0,1,0,1,0,0|0,0,1]=3 79 B12R2.44 C#CC1=CC=C2NCCC2=C1 F2167-2831 [0,1,0,1,0,0|1,0,1]=4 80 B12R2.44 OCC1=CC2=C(C=C1)CCN2 F8881-7260 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.50 CC1=C(O)C=NN1C F1913-7192 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.50 CC1=CC=C(C)N1N F9994-0002 [1,0,0,0,1,0|2,0,0]=4