0 B9R1.69 C=C1NC(=O)CNC1=O D72755 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 CC1=C(N)N=C(Cl)C=C1 AT18493 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=CN=C(Br)C(O)=C1 79186 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.69 CC1=CN=C(I)C(O)=C1 C91413 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.69 CC1=NC(Cl)=CN=C1Cl W16855 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 ClC1=C(I)C=C(I)C=C1 AT18534 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.69 FC1=CN=C(I)C(Br)=C1 AT22417 [0,0,0,0,0,0|2,1,1]=4 7 B9R1.69 NC1=CC(Cl)=C(F)N=C1 D96168 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 NC1=NC(O)=C(Cl)C=C1 AT18216 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 O=C1NN=C(F)C=C1Br AT24745 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.69 OC1=CN=C(Br)C(F)=C1 78747 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 SC1=C(I)C=CC(Cl)=C1 AT20870 [0,0,0,0,0,0|2,1,0]=3 12 B9R1.69 SC1=CC(Br)=C(Cl)C=C1 AT20884 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 SC1=CC(Cl)=CN=C1Br AT21419 [0,0,0,0,0,0|1,1,1]=3 14 B9R1.69 [2H]C1=CC([2H])=C([2H])C=C1 D98805 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [1,0,0,0,0,0|0,2,1]=4 16 B8R1.4 CC1=CC(I)=CN=C1 D76269 [1,0,0,0,0,0|1,1,1]=4 17 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [1,0,0,0,0,0|0,1,1]=3 20 B8R1.5 CN1C=CC=NC1=O AT19342 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.5 O=C1NCCC=C1Br AC9842 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.5 O=C1NCCC=C1Cl 88829 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.22 CC1=C(O)C=C(F)C=C1N AT15762 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.22 CC1=CC(Br)=C(C)C(O)=C1 AT21284 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.22 CC1=CN(C)C(=O)C(N)=C1 D75591 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.22 CN1C=C(Br)C=C(I)C1=O AT15652 [0,1,0,0,0,0|1,1,0]=3 29 B10R1.22 CN1C=C(Cl)C=C(Br)C1=O AC9507 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.22 OC1=CC(Br)=CC(Cl)=C1Cl AT17667 [0,1,0,0,0,0|2,1,0]=4 31 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [0,1,0,0,0,0|1,1,1]=4 32 B10R1.25 COC1=NC=C(C)C=C1O D74379 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [0,1,0,0,0,0|2,1,0]=4 34 B10R1.25 N#CC1=NC=C(F)C=C1O AT21108 [0,1,0,0,0,0|1,1,1]=4 35 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [0,1,0,0,0,0|0,1,1]=3 37 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.118 CC1=C(Cl)N=C(I)C(=O)O1 AT20293 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.118 CC1=CC(Br)=C(Br)C=C1Cl D74819 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.118 CC1=CC(C)=C(O)C=C1O D76388 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.118 CC1=CC(Cl)=C(C)N=C1Cl P10227 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.118 CC1=CC(I)=C(N)C=C1Cl D77240 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.118 CN1C=C(Cl)C(O)=CC1=O AT19250 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.119 CC1=C(C)C(Br)=CNC1=O AT17057 [0,1,0,0,0,0|1,1,0]=3 45 B10R1.119 ClC1=CC=C(Br)C(Br)=C1Cl AC2656 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.119 OC1=C(Br)C=CC(Cl)=C1Cl A51292 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.119 OC1=CC=C(Cl)C(Cl)=C1Br AT17647 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.50 CN1C(=O)NC=C1N AC4335 [0,0,0,0,1,0|3,0,0]=4 50 B7R1.3 SC1=CN=CC=C1 AT26584 [2,0,0,0,0,0|0,1,1]=4 51 B9R1.1 NCC1=NNC(=O)C=C1 C77052 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.3 CC1=CC=CC(O)=C1S D87757 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.3 OC1=CN=CC(Cl)=C1I D73511 [1,1,0,0,0,0|0,0,1]=3 55 B9R1.3 SC1=C(Br)C=CC=C1Cl AT20840 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.34 ClC1=CC(I)=CC(I)=C1 D75154 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.15 NCC1=CC=CNC1=O D76881 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.15 NCC1=CC=NNC1=O P12551 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.132 N#CC1=C(O)C(=O)NC1 D85988 [0,1,0,0,1,0|1,0,1]=4 61 B11R1.32 CC1=C(C)C(Br)=CN(C)C1=O AT17059 [0,2,0,0,0,0|1,1,0]=4 62 B11R1.32 CC1=CC(Br)=C(C)N(C)C1=O AT17049 [0,2,0,0,0,0|1,1,0]=4 63 B11R1.37 NCC1=C(CO)C=C(Cl)C=C1 P16919 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O AT21120 [0,2,0,0,0,0|0,1,1]=4 66 B11R1.277 COC1=C(I)C=C(F)C(Cl)=C1 AT17644 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.277 O=CC1=CC(F)=C(Br)C=C1O D74883 [0,2,0,0,0,0|1,1,0]=4 68 B11R1.277 OCC1=CC(Cl)=C(Br)C=C1F AT21948 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.182 CCOC1=CC(Cl)=NNC1=O D87548 [0,2,0,0,0,0|1,0,0]=3 70 B7R1.2 NC1=CC=C(N)N1 F52185 [1,0,0,0,1,0|2,0,0]=4 71 B7R1.4 NC1=CSC=C1Cl P10601 [1,0,0,0,1,0|2,0,0]=4