0 B9R1.15 C#CC1=C(C)C=CN=C1 F2197-7934 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.15 C#CC1=C(C)N=CC=N1 F2167-5043 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 C#CC1=C(Cl)C=NC=C1 F2167-5019 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.15 C#CC1=CC=CN=C1C F2197-2459 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.15 C#CC1=CC=CN=C1Cl F2147-2794 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.15 C#CC1=NC=CC=C1C F2197-7901 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.15 C#CC1=NC=CC=C1F F2167-2840 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.15 CNC1=C(N)C=NC=C1 F1318-0064 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.15 CNC1=NC=CC=C1N F2113-0168 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.15 FC1=C(CCl)C=CN=C1 F1910-8460 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.15 NCC1=CC=CNC1=O F2147-1264 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 O=CC1=NC=CC=C1O F1957-0037 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 OCC1=C(F)C=NC=C1 F1910-8471 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.2 CNC1=NC=CC=N1 F8880-7050 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.5 C[N+]1=CC=CC=C1N F3095-4823 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.2 COC1=C(N)C(O)=CC=C1 F2147-0945 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.4 CCNC1=CC=CC=C1N F1911-3685 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.4 CCOC1=CC=CN=C1Br F2147-0505 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.4 CNCC1=C(O)C=CC=C1 F2169-1257 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.4 O=C1C=CC=CN1CCCl F1906-0095 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.4 O=C1C=CC=CN1CCCl F8889-9304 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.4 O=CCC1=C(Br)C=CC=C1 F8883-7724 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.4 [N-]=[N+]=NC1=CC=CC=C1Cl F2157-0480 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.20 CNC1=C(CO)C=CC=C1 F8883-2695 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.20 COC1=CN=CC=C1CN F2147-2142 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.20 CSC1=NC=CC=C1C#N F3358-0325 [0,1,0,0,0,0|1,1,1]=4 26 B10R1.20 ClCC1=CC=CN=C1CCl F8880-8241 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.20 OCC1=C(CO)C=NC=C1 F2167-4114 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.25 C#CC1=C(F)C=C(F)C=C1 F8886-6515 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.30 C#CC1=C(Br)C=CC(F)=C1 F2147-2790 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.30 CC1=CC=C(Cl)C(CCl)=C1 F1913-1598 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.30 CC1=CC=C(Cl)C(CO)=C1 F1913-1594 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.30 CCC1=CC(=O)NN=C1C F8885-0370 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.30 CCN1C=C(Br)C=CC1=O F2197-1512 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.30 COC1=NC(Br)=CC=C1I F1957-0605 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.61 CC(Br)C1=C(F)C=CC=C1 F1901-0267 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.11 CC1=C(CN)SC=C1 F2169-1276 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.1 COC1=NC=C(O)C=N1 F1913-1906 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.2 CNC1=NC=CC(Cl)=C1 F2108-0064 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.6 C=C(C)C1=NC=CC=C1 F1967-3030 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.8 BrCCC1=CC=CN=C1 F1910-8458 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.8 BrCCC1=CC=NC=C1 F8888-4183 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.3 CC1=C(N)C=NC=C1Br F1957-0026 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.3 CN1C=CC=C(Br)C1=O F2197-1494 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.69 NC1=CC(I)=C(Br)C=C1 F1913-1844 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.33 CN1C=CC=C1CCN F2148-0286 [0,1,0,0,1,0|2,0,0]=4 46 B9R1.33 CNCC1=C(C)C=CO1 F2148-2243 [0,1,0,0,1,0|2,0,0]=4 47 B11R1.13 CC1=C(N=[N+]=[N-])C=CC=C1F F2157-0476 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.17 C=CCNC1=C(N)C=CC=C1 F8883-4159 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.17 CC1=C(CCCN)C=CC=C1 F9995-2099 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.17 CCCNC1=C(N)C=CC=C1 F1911-3709 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.17 NC1=CC=CC=C1NCCO F1911-3666 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.17 NCCNC1=CC=CC=C1N F2147-0178 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.17 NCCOC1=NC=CC=C1Br F2147-1484 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.81 CNCC1=C(C)C=C(C)C=C1 F1911-1714 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.86 CC(C)NC1=C(N)C=CC=C1 F1911-3695 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.86 CC(C)OC1=C(N)C=CC=N1 F8880-8447 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 F2158-0398 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.86 FC(F)OC1=CC=CN=C1Br F1913-5875 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.86 FC(F)OC1=CC=CN=C1Cl F2147-1618 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.86 NC1=C(OC(F)F)C=CC=N1 F8881-3227 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.182 CNCC1=C(C)C=CC(C)=C1 F1911-1709 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.222 CC1=C(C(Br)C#N)C=CC=C1 F8885-2925 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.222 CCC(N)C1=CC=CC=C1F F2167-2012 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.222 NC(CO)C1=C(F)C=CC=C1 F8887-4536 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 F2189-0847 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.605 CC1=CC=CC(C)=C1N=[N+]=[N-] F2157-0471 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.53 O=CC1=C(C(F)F)C=CC=C1 F1913-2792 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.53 O=CC1=CC=CC=C1C(F)F F1913-3316 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.279 COC1=CN=C(C=O)C=C1O F2158-0611 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.279 COC1=COC(CO)=CC1=O F2158-0411 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 F2185-0063 [0,2,0,0,0,0|2,0,0]=4 72 B11R2.106 OC1=C2CCNC2=CC=C1 F8881-4591 [0,1,0,1,0,0|1,0,0]=3 73 B11R2.20 C1=CN=C2NCCCC2=C1 F1913-3718 [0,1,0,1,0,0|2,0,0]=4 74 B11R2.36 SC1=CC2=C(C=C1)CCC2 F1913-5812 [0,1,0,1,0,0|1,0,0]=3