0 B9R1.69 C=C1NC(=O)CNC1=O D72755 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 CC1=CC(C)=NN=C1Br AT24019 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 CC1=CC(F)=C(Cl)C=N1 D72539 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=CC(I)=C(Br)C=N1 AT24028 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=CC=C(Br)C(I)=N1 AT24007 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=CN=C(Br)C(N)=N1 AC5599 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 CC1=CN=C(Br)C(O)=C1 79186 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.69 CC1=CN=C(I)C(O)=C1 C91413 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.69 CC1=NC(N)=C(Cl)C=C1 P20697 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 ClC1=C(I)C=C(I)C=C1 AT18534 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 FC1=CN=C(I)C(Br)=C1 AT22417 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 NC1=CC(Cl)=C(F)N=C1 D96168 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.69 NC1=NC(O)=C(Cl)C=C1 AT18216 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 O=C1NN=C(F)C=C1Br AT24745 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.69 OC1=CN=C(Br)C(F)=C1 78747 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.69 SC1=C(I)C=CC(Cl)=C1 AT20870 [0,0,0,0,0,0|3,1,0]=4 16 B9R1.69 SC1=CC(Br)=C(Cl)C=C1 AT20884 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 SC1=CC(Cl)=CN=C1Br AT21419 [0,0,0,0,0,0|2,1,1]=4 18 B9R1.69 [2H]C1=CC([2H])=C([2H])C=C1 D98805 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [1,0,0,0,0,0|1,1,1]=4 20 B8R1.3 CN1C=CC(=O)CC1 D73438 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [1,0,0,0,0,0|1,1,1]=4 22 B8R1.4 CC1=CC(I)=CN=C1 D76269 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [1,0,0,0,0,0|1,1,1]=4 26 B8R1.5 CN1C=CC=NC1=O AT19342 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.5 O=C1NCCC=C1Br AC9842 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.5 O=C1NCCC=C1Cl 88829 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.22 CC1=C(O)C=C(F)C=C1N AT15762 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.22 CC1=CC(Br)=C(C)C(O)=C1 AT21284 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.22 CC1=CC(F)=C(N)C(C)=C1 AT24271 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.22 CC1=CN(C)C(=O)C(N)=C1 D75591 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.22 CN1C=C(Br)C=C(I)C1=O AT15652 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.22 CN1C=C(Cl)C=C(Br)C1=O AC9507 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.22 OC1=CC(Br)=CC(Cl)=C1Cl AT17667 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.25 CC1=CC(F)=C(C#N)N=C1 AT25471 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.25 CC1=CC(F)=C(CN)N=C1 AT25475 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.25 COC1=C(I)C=C(C)C=N1 D74393 [0,1,0,0,0,0|1,0,2]=4 43 B10R1.25 COC1=NC=C(C)C=C1O D74379 [0,1,0,0,0,0|0,0,2]=3 44 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.25 N#CC1=NC=C(F)C=C1O AT21108 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.118 CC1=CC(Br)=C(Br)C=C1Cl D74819 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.118 CC1=CC(Br)=C(C)N=C1O AT17044 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.118 CC1=CC(Br)=C(I)C=C1N AT21945 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.118 CC1=CC(C)=C(O)C=C1O D76388 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.118 CC1=CC(Cl)=C(C)N=C1Cl P10227 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.118 CC1=CC(I)=C(N)C=C1Cl D77240 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.118 CC1=CC(N)=C(S)C=C1C AT19660 [0,1,0,0,0,0|2,1,0]=4 56 B10R1.119 CC1=C(C)C(Br)=CNC1=O AT17057 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.119 CC1=C(C)C(Cl)=C(N)C=C1 AC6300 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.119 CC1=C(N)C(C)=C(O)C=C1 D76683 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.119 CC1=CC=C(F)C(Br)=C1N D96224 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.119 OC1=C(Br)C=CC(Cl)=C1Cl A51292 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.176 NCC1=CC(Br)=C(Cl)N=C1 79251 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.176 NCC1=CC(Cl)=C(O)N=C1 79293 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [0,1,0,0,0,0|1,0,1]=3 70 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,0,0,0,1,0|0,0,3]=4 74 B8R1.50 CC1=CNN(C)C1=O AT14042 [0,0,0,0,1,0|2,0,1]=4 75 B8R1.50 CN1C(=O)NC=C1N AC4335 [0,0,0,0,1,0|3,0,0]=4 76 B7R1.3 SC1=CN=CC=C1 AT26584 [2,0,0,0,0,0|0,1,1]=4 77 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.1 NCC1=NNC(=O)C=C1 C77052 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.2 NCC1=NC=CC(O)=C1 79355 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.3 CC1=CC=CC(O)=C1S D87757 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.3 CC1=CC=CC(S)=C1Cl AT20810 [1,1,0,0,0,0|1,1,0]=4 83 B9R1.3 CC1=NC=CC(O)=C1N D75564 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.3 OC1=CN=CC(Cl)=C1I D73511 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 NCC1=CC=CNC1=O D76881 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.15 NCC1=CC=NNC1=O P12551 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.22 CC1=CC(CN)=C(C)N1 D77198 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.22 CC1=NC(Cl)=C(C=O)N1 AT26175 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.132 N#CC1=C(O)C(=O)NC1 D85988 [0,1,0,0,1,0|0,0,2]=4 91 B11R1.8 CC1=CC(Br)=C(C)C(CO)=C1 AT21291 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.32 CC1=C(C)C(Br)=CN(C)C1=O AT17059 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.32 CC1=C(C)N(C)C(=O)C(Cl)=N1 AT26441 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.32 CC1=CC(Br)=C(C)N(C)C1=O AT17049 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.464 CC1=CC(Cl)=C(C=O)C(F)=C1 51626 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O AT21120 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.277 COC1=C(Br)C=C(O)C(C)=C1 AC9292 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.277 O=CC1=CC(F)=C(Br)C=C1O D74883 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.182 CCOC1=CC(Cl)=NNC1=O D87548 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.21 OC1=C(F)C=CC(C(F)F)=C1 D76518 [0,2,0,0,0,0|2,0,0]=4 101 B7R1.2 CC1=CC=C(N)S1 32908 [1,0,0,0,1,0|2,0,0]=4 102 B7R1.2 CC1=CN(N)C=C1 AT24000 [1,0,0,0,1,0|2,0,0]=4 103 B7R1.2 CC1=CN=C(N)N1 28111 [1,0,0,0,1,0|2,0,0]=4 104 B7R1.2 NC1=CC=C(N)N1 F52185 [1,0,0,0,1,0|2,0,0]=4 105 B7R1.4 CC1=C(O)C=CS1 AT26691 [1,0,0,0,1,0|2,0,0]=4