0 B12R1.235 COC1=C(N)C(C=O)=CC(Br)=C1 F15882 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.235 COC1=CC(F)=CC(OC)=C1I C90837 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.235 COC1=CC(I)=CC(OC)=C1Br E72177 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.8 CC1=CC(C=O)=C(N)C(C)=C1 F15846 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.8 CC1=CC(CO)=C(N)C(C)=C1 AC7040 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.8 CCC1=C(N)C(C)=CC(Br)=C1 68319 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.8 COC1=C(I)C(N)=CC(C)=N1 N10226 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.8 COC1=CC(Br)=CC(Cl)=C1F 56984 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.8 COC1=CC(Br)=CC(Cl)=C1O AC1897 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.8 COC1=CC(Br)=CC(F)=C1N AT21483 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.8 COC1=CC(C)=CC(Br)=C1N 53837 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.8 COC1=CC(Cl)=CC(Br)=C1Cl AT18856 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.8 COC1=CC(O)=CC(Br)=C1F 95330 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.9 CCC1=CC(C)=CC(CC)=C1 I11339 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.9 CCC1=CC(OC)=CC(=O)O1 60933 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.9 COC1=CC(C#N)=CC(C)=C1 88823 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.9 COC1=CC(C)=CC(CBr)=C1 C90360 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.9 COC1=CC(CBr)=CC(Cl)=C1 F31067 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.9 COC1=CC(CO)=CC(Cl)=C1 F13565 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.9 COC1=CC(N)=CC(CO)=C1 C72079 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.267 CCC1=CC=CC(CC)=C1[15NH2] D98564 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.267 CCC1=CC=CC(OC)=C1F 57989 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.267 CCC1=CC=CC(OC)=C1O O10769 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.267 COC1=C(C)C(C#N)=CC=C1 FD10708 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.267 COC1=C(Cl)C(CO)=CC=C1 N12987 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.267 COC1=CC=CC(CBr)=C1Cl C90795 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.267 COC1=CC=CC(OC)=C1S AT20891 [1,0,0,0,0,0|0,1,0]=2 27 B11R1.267 COC1=CN=CC(OC)=C1N AT18130 [1,0,0,0,0,0|2,0,0]=3 28 B13R1.299 COC1=C(O)C([N+](=O)[O-])=CC(Br)=C1 F19556 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.302 COC1=C(OC)C(C#N)=CC(Br)=C1 D96189 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.302 COC1=CC(Br)=CC([Se]C)=C1OC 97871 [0,1,0,0,0,0|1,1,0]=3 31 B13R1.302 COC1=CC(F)=CC(OC)=C1C=O 94789 [0,1,0,0,0,0|1,0,1]=3 32 B13R1.302 COC1=CC(F)=CC(OC)=C1CO 94790 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.302 COC1=NC(C)=CC(OC)=C1C#N 90398 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.433 COC1=CC(OC)=C(N)C(OC)=C1 C14018 [0,1,0,0,0,0|1,0,0]=2 35 B13R2.623 COC1=C2C=NNC2=CC(C)=C1 I11262 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.623 COC1=C2C=NOC2=CC(Br)=C1 93710 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.623 COC1=C2OCOC2=CC(Br)=C1 AC7237 [0,0,0,1,0,0|1,0,0]=2 38 B13R2.623 COC1=C2OCOC2=CC(O)=C1 D73789 [0,0,0,1,0,0|1,0,0]=2 39 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.2 COC1=C(Cl)C(O)=CC=N1 FD10667 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [2,0,0,0,0,0|1,1,0]=4 46 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.8 CNC1=CC(C)=NC(C)=C1 78071 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.8 COC1=CC(Br)=NC(O)=C1 AT10291 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.8 COC1=CC(I)=CC(F)=C1 AT12533 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.8 COC1=C[C@@H](C)C=C(C)C1 AC6323 [2,0,0,0,0,0|0,0,2]=4 51 B10R1.8 COC1=NC(C)=CC(C)=N1 H10099 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.8 COC1=NC(O)=NC(C)=C1 C16076 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.22 CC1=CC(C)=NC(C)=C1Br W12678 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.22 CC1=CC(C)=[N+](F)C(C)=C1 C71278 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.22 CC1=CC(Cl)=CC(N)=C1O 78884 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.22 CC1=CC(N)=CC(C)=C1N 61916 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 C75076 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.22 CC1=CC(O)=C(O)C(O)=C1 D92404 [2,0,0,0,0,0|0,0,0]=2 59 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [2,0,0,0,0,0|1,1,0]=4 63 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [2,0,0,0,0,0|1,1,0]=4 64 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [2,0,0,0,0,0|1,1,0]=4 65 B10R1.172 COC1=CC(OC)=NN=C1 C73963 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [2,0,0,0,0,0|1,1,0]=4 67 B12R1.234 COC1=C(C#N)C(C)=CC(Br)=C1 D72079 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.234 COC1=C(C#N)C(C)=CC(C)=C1 D87583 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.234 COC1=C(OC)C(N)=CC(Br)=C1 97873 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.234 COC1=CC(C)=CC(Br)=C1C=O 53839 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.300 CCC1=C(O)C(C)=CC(C#N)=C1 85548 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 97135 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.511 CC(=O)C1=CC(C)=CC(Br)=C1O F50433 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.11 COC1=CC(C)=CC(B(O)O)=C1 D71660 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.58 CCC1=CC(OC)=CC(C#N)=C1 A50813 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.58 COC1=CC(OC)=NC(CN)=N1 P10344 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.58 COC1=CC(OC)=NC(CO)=N1 P13318 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.280 COC1=C(O)C(CC#N)=CC=C1 S10158 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.280 COC1=C(O)C(CCN)=CC=C1 F30665 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.440 COC1=C(F)C(C(C)=O)=CC=C1 57987 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.440 COC1=C(F)C([C@H](C)O)=CC=C1 57985 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.654 CCC1=C(Br)C=CC(OC)=C1F 57991 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.654 COC1=C(F)C(SC)=C(Br)C=C1 AT22321 [1,1,0,0,0,0|1,1,0]=4 84 B12R1.654 COC1=C(O)C(OC)=C(Br)C=C1 N12750 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.654 COC1=CC=C(F)C(OC)=C1F F11163 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.1879 COC1=CN=CC(OC)=C1CO 94796 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.1879 COC1=NC=NC(OC)=C1CO P11365 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.351 COC1=C(OC)C(B(O)O)=CC(C)=C1 AT12718 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.384 COC(=O)C1=CC(Br)=CC(OC)=C1N F15611 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.384 COC(=O)C1=CC(F)=CC(OC)=C1N F14166 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.347 COC1=CC(C)=CC(OC)=C1B(O)O AT12655 [0,2,0,0,0,0|0,0,0]=2 92 B14R1.576 C#CC1=C(OC)C=C(OC)C=C1OC E72068 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.14884 COC1=CC(F)=CC(OC)=C1CC#N 94791 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.362 COC1=CC(C(=O)Cl)=CC(OC)=C1C TD1175 [0,2,0,0,0,0|1,0,1]=4 95 B14R1.362 COC1=CC(C(N)=O)=CC(OC)=C1Br A10166 [0,2,0,0,0,0|1,0,1]=4 96 B12R2.315 COC1=C2CCCC2=CC=C1 C15321 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.315 COC1=C2OCOC2=CC=C1 F51131 [1,0,0,1,0,0|0,0,0]=2 98 B14R2.2296 COC1=CC(C)=C2SC=CC2=C1O 98511 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.1101 COC1=CC(OC)=C2OCOC2=C1 D73791 [0,1,0,1,0,0|0,0,0]=2