0 B12R2.612 BrC1=NC2=C(C=C1)C(I)=NN2 C72437 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.612 BrC1=NC=C2C(=C1)NN=C2Br 79000 [0,0,0,0,0,0|2,1,0]=3 2 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P11527 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.612 CC1=NC2=C(C=N1)C(I)=NN2 C11463 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 CC1=NC=C2C=C(Br)C=CN21 D70563 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.612 CC1=NNC2=C1C=NC(Cl)=N2 D73144 [0,0,0,0,0,0|3,1,0]=4 7 B12R2.612 CC1=NNC2=C1N=CC(Cl)=N2 D79098 [0,0,0,0,0,0|3,1,0]=4 8 B12R2.612 ClC1=CC2=C(C=N1)C(Br)=NN2 79012 [0,0,0,0,0,0|2,1,0]=3 9 B12R2.612 ClC1=CN=C2C(=C1)NN=C2Br 90668 [0,0,0,0,0,0|2,1,0]=3 10 B12R2.612 FC1=CN2C=NC(I)=C2C=C1 84526 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.612 NC1=CC2=C(C=C1)B(O)OC2 P18085 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14817 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 F17861 [0,0,0,0,0,0|1,1,2]=4 15 B12R2.612 OB1OCC2=C1C=CC(Cl)=C2 W19267 [0,0,0,0,0,0|3,1,0]=4 16 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,0,0,0,0,0|3,0,1]=4 17 B11R2.1 ClC1=NNC2=CC=CN=C21 24272 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.1 NC1=CNC2=C1C=NC=C2 AC3430 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,0,0,0|2,0,1]=4 20 B11R2.36 BrC1=CC2=NSC=C2C=C1 D84732 [1,0,0,0,0,0|1,1,1]=4 21 B11R2.36 CC1=CC2=CN=CN2C=C1 D80112 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.36 ClC1=CN2C=NC=C2C=C1 84520 [1,0,0,0,0,0|2,1,0]=4 23 B11R2.36 FC1=NC2=C(C=C1)NN=C2 D97051 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.36 NC1=CC2=C(C=C1)C=NS2 AC7467 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.36 NC1=CN=C2C=NNC2=C1 P12868 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.36 OC1=CC2=C(C=C1)NN=N2 A12615 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.662 N#CC1=CNC2=CC(F)=CN=C12 D96523 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.662 NCC1=NOC2=C1C=CC(Cl)=C2 28173 [0,1,0,0,0,0|2,1,0]=4 30 B13R2.2130 NCC1=CC2=C(C=C1)C(N)=NN2 P11903 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.2130 O=CC1=CC2=C(C=C1)C(Cl)=NN2 78711 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.5180 O=C1NOC2=C1C=CC(F)=C2F W15602 [0,1,0,0,0,0|1,0,2]=4 33 B13R2.5187 CN1N=C(N)C2=C1C=C(F)C=C2 D79725 [0,1,0,0,0,0|1,0,0]=2 34 B13R2.11634 CC1=C(F)C=C2C(N)=NNC2=N1 82239 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.11634 CC1=NNC2=CC(Br)=C(F)C=C21 P12751 [0,1,0,0,0,0|1,1,0]=3 36 B13R2.11642 CC1=CC(Cl)=C2C(=C1)NN=C2N 51628 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.11642 CC1=NNC2=CC(Br)=CC(F)=C21 W14693 [0,1,0,0,0,0|1,1,0]=3 38 B11R1.166 NC1=CC(F)=CN=C1C(=O)O P17500 [0,0,1,0,0,0|2,0,0]=3 39 B11R1.166 OB(O)C1=C(Br)C=C(F)C=C1 D71630 [0,0,1,0,0,0|3,0,0]=4 40 B13R2.3683 BrC1=CC=C2C=C(Br)N=NC2=C1 F50936 [0,0,0,0,0,1|1,1,1]=4 41 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=C1 79254 [0,0,0,0,0,1|2,1,0]=4 42 B13R2.3683 ClC1=CC=C2N=C(Cl)N=CC2=C1 83934 [0,0,0,0,0,1|2,1,0]=4 43 B13R2.3683 FC1=CC=C2C=C(Br)C=NC2=C1 80433 [0,0,0,0,0,1|2,0,1]=4 44 B13R2.3683 FC1=CC=C2C=C(I)C=NC2=C1 80434 [0,0,0,0,0,1|2,0,1]=4 45 B13R2.3683 NC1=NC=C2C=C(Cl)C=CC2=C1 68518 [0,0,0,0,0,1|2,1,0]=4 46 B13R2.3683 OC1=CC=C2C=C(Cl)N=CC2=C1 79088 [0,0,0,0,0,1|3,0,0]=4 47 B13R2.3683 OC1=CC=C2N=C(Cl)N=CC2=C1 W17778 [0,0,0,0,0,1|3,0,0]=4 48 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=C1 53842 [0,0,0,0,0,1|3,0,0]=4 49 B13R2.5179 ClC1=C2C=CC(Br)=CC2=NN=C1 D80371 [0,0,0,0,0,1|1,1,1]=4 50 B13R2.5179 ClC1=CC=C2C(Br)=CN=CC2=C1 K10019 [0,0,0,0,0,1|2,1,0]=4 51 B13R2.5179 FC1=CC=C2C(Br)=CN=CC2=C1 K10011 [0,0,0,0,0,1|2,0,0]=3 52 B13R2.5179 NC1=C2C=CC(Cl)=CC2=CN=C1 K10020 [0,0,0,0,0,1|2,1,0]=4 53 B13R2.5179 NC1=CC=C2C(Cl)=CN=CC2=C1 73657 [0,0,0,0,0,1|3,0,0]=4 54 B13R2.5179 OC1=CC=C2C(Br)=CN=CC2=C1 K10068 [0,0,0,0,0,1|3,0,0]=4 55 B13R2.5179 OC1=CC=C2C(Cl)=CN=CC2=C1 K10075 [0,0,0,0,0,1|3,0,0]=4 56 B12R1.232 CC1=CC(F)=C(N)C=C1C(=O)O AT14691 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C 34919 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1Cl 96226 [0,1,1,0,0,0|1,1,0]=4 59 B12R1.1000 NC1=CC(Br)=CC(F)=C1C(=O)O 53929 [0,1,1,0,0,0|1,1,0]=4 60 B12R1.1000 O=C(O)C1=C(Cl)C=C(F)C=C1Cl 88028 [0,1,1,0,0,0|2,0,0]=4 61 B12R2.1 N#CC1=NNC2=C1C=CN=C2 70895 [1,1,0,0,0,0|2,0,0]=4 62 B12R2.1 OCC1=C2C=CC=CN2C=N1 P15497 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.132 BrC1=CN=C2NN=C(Br)C2=C1 79008 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.132 BrC1=NC=C2NN=C(Br)C2=C1 79005 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.132 CC1=CC2=C(N=C1)NN=C2I P14716 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.132 CC1=CC=C2NN=C(Br)C2=N1 C10883 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.132 CC1=NNC2=C1N=C(Br)C=C2 F51957 [1,1,0,0,0,0|2,0,0]=4 68 B12R2.132 ClC1=CC=C2NN=C(Br)C2=N1 79010 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.132 ClC1=NC2=C(C=C1)NN=C2Cl Y13460 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.132 NC1=NNC2=C1N=C(Cl)C=C2 91406 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.132 OC1=CC2=C(C=C1)NN=C2Br 83344 [1,1,0,0,0,0|1,0,0]=3 72 B12R2.196 BrC1=CN=CC2=C1NN=C2I 79002 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.196 BrC1=NC=CC2=C1NN=C2I 79006 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.196 BrC1=NNC2=C(Br)C=NC=C12 78999 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.196 ClC1=C2NN=C(Br)C2=NC=C1 P13133 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.196 ClC1=CN=CC2=C1NN=C2I 79013 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.196 ClC1=NC=CC2=C1NN=C2Br P10724 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.196 ClC1=NC=CC2=C1NN=C2I 79016 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.203 BrC1=C2C(=CC=N1)NN=C2I 79004 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.203 BrC1=C2C(=CN=C1)NN=C2I 79007 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.44 N#CC1=CN=C2C=NNC2=C1 P12869 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.82 CC1=C(Br)C=CC2=C1NN=C2 F18482 [1,1,0,0,0,0|0,1,0]=3 83 B12R2.82 FC1=C(Cl)C2=C(C=CN2)N=C1 C14296 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.82 FC1=C(Cl)C=CC2=C1NC=C2 W19144 [1,1,0,0,0,0|1,1,0]=4 85 B12R2.100 FC1=C(Cl)C=C2NN=CC2=C1 37380 [1,1,0,0,0,0|0,1,0]=3 86 B12R2.100 NC1=C(Cl)C=C2NN=CC2=C1 C74135 [1,1,0,0,0,0|0,1,0]=3 87 B12R2.246 BrC1=CC(I)=C2C=NNC2=C1 P10627 [1,1,0,0,0,0|0,1,0]=3 88 B12R2.246 CC1=CC(Br)=C2C=CNC2=C1 C10136 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.246 CC1=CC(Br)=C2C=NNC2=N1 P13039 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.246 CC1=CC(Cl)=NC2=C1C=NN2 D78818 [1,1,0,0,0,0|1,1,0]=4 91 B12R2.246 CC1=CC(F)=C2C=NNC2=C1 C76941 [1,1,0,0,0,0|1,0,0]=3 92 B12R2.246 CC1=CC2=C(C=NN2)C(Cl)=N1 P11446 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.246 FC1=CC(F)=C2NN=CC2=C1 P20689 [1,1,0,0,0,0|2,0,0]=4 94 B12R2.246 FC1=CN2C=NC=C2C(Cl)=C1 D80110 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.246 OC1=CC(Cl)=C2C=NNC2=C1 C76974 [1,1,0,0,0,0|1,0,0]=3 96 B14R2.300 O=C(O)C1=NNC2=C1C=CC(Cl)=N2 D97118 [0,2,0,0,0,0|1,1,0]=4 97 B14R2.300 O=C(O)C1=NNC2=C1C=CC(I)=C2 F51305 [0,2,0,0,0,0|0,1,0]=3 98 B14R2.25731 CC1=NN(C)C2=CC(F)=C(Br)C=C21 D84833 [0,2,0,0,0,0|1,0,0]=3 99 B12R3.2 FC1=CC2=C(C=C1)N3N=C23 W14678 [1,0,0,1,0,0|2,0,0]=4