0 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.36 BrC1=CN2C=NN=C2C=C1 SYX00142 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.36 BrC1=CN=C2NN=CC2=C1 ADE000064 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.36 BrC1=NC2=C(C=C1)NN=C2 BLN00049 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [0,0,0,0,0,0|2,0,1]=3 10 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,0,0,0,0,0|2,0,1]=3 13 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,0,0,0,0,0|3,0,1]=4 15 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,0,0,0,0,0|4,0,0]=4 17 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,0,0,0,0,0|2,0,1]=3 18 B11R2.36 ClC1=CC=C2NN=CC2=N1 BLN00012 [0,0,0,0,0,0|3,0,1]=4 19 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,0,0,0,0,0|4,0,0]=4 20 B11R2.36 ClC1=NN2C=NN=C2C=C1 CDS002398 [0,0,0,0,0,0|4,0,0]=4 21 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,0,0,0,0,0|4,0,0]=4 22 B11R2.36 IC1=CN=C2NN=CC2=C1 ADE000069 [0,0,0,0,0,0|3,0,1]=4 23 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,0,0,0,0,0|3,0,1]=4 24 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,0,0,0,0,0|3,0,1]=4 25 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,0,0,0,0,0|2,0,1]=3 26 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,0,0,0,0,0|3,0,0]=3 27 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,0,0,0,0,0|2,0,2]=4 28 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,0,0,0,0,0|3,0,1]=4 29 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [0,0,0,0,0,0|4,0,0]=4 30 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,0,0|3,0,0]=4 31 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,0,0|3,0,0]=4 32 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [1,0,0,0,0,0|2,0,1]=4 33 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,0,0|2,0,1]=4 34 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [1,0,0,0,0,0|1,0,1]=3 35 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,0,0|3,0,0]=4 36 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.44 COC1=NC=C2NN=CC2=C1 BLN00038 [0,1,0,0,0,0|2,0,1]=4 38 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.44 NCC1=CC2=NSN=C2C=C1 CBR02294 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.44 NCC1=CC=C2NN=CC2=C1 CDS010163 [0,1,0,0,0,0|1,0,1]=3 42 B12R2.44 NNC1=NN2C=NN=C2C=C1 CBR00723 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.100 BrC1=C(C=C2NN=NC2=C1)Br R229741 [0,1,0,0,0,0|3,0,0]=4 44 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [0,1,0,0,0,0|2,0,1]=4 45 B12R2.100 ClC1=CC2=C(C=C1Cl)SN=N2 S945153 [0,1,0,0,0,0|3,0,0]=4 46 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 CDS020200 [0,1,0,0,0,0|1,0,1]=3 47 B12R2.132 BrC1=CC2=C(C=N1)NN=C2Br BLN00065 [0,1,0,0,0,0|2,0,1]=4 48 B12R2.132 BrC1=CC2=C(C=N1)NN=C2I BLN00068 [0,1,0,0,0,0|2,0,1]=4 49 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.132 CN1N=CC2=CC=C(C=C12)N CDS009694 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.132 ClC1=CC2=C(C=N1)NN=C2Br BLN00031 [0,1,0,0,0,0|2,0,1]=4 53 B12R2.132 ClC1=CC2=C(C=N1)NN=C2I BLN00034 [0,1,0,0,0,0|2,0,1]=4 54 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [0,1,0,0,0,0|2,0,1]=4 57 B12R2.132 SC1=NN=C2N1C=C(C=C2)Br SYX00411 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,0,0,0|2,0,1]=4 62 B12R2.612 CN1N=NC2=C1C=CC(=C2)N CBR01799 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,0,1,0,0,0|3,0,0]=4 64 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,0,1,0,0,0|2,0,0]=3 65 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,0,1,0,0,0|3,0,0]=4 66 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,0,1,0,0,0|3,0,0]=4 67 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,0,1,0,0,0|3,0,0]=4 68 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,0,0,0,0,1|3,0,0]=4 69 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,0,0,0,0,1|3,0,0]=4 70 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,0,0,1|3,0,0]=4 71 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,0,0,1|3,0,0]=4 72 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,0,0,1|3,0,0]=4 73 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,0,0,1|3,0,0]=4 74 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,0,0,1|2,0,0]=3 75 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,0,0,0,0,1|3,0,0]=4 76 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,1,0,0,0|2,0,0]=4 77 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [1,1,0,0,0,0|1,0,1]=4 78 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,1,0,0,0,0|1,0,1]=4 79 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [1,1,0,0,0,0|1,0,1]=4 81 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,1,0,0,0,0|2,0,0]=4 82 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [1,1,0,0,0,0|2,0,0]=4 83 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,1,0,0,0,0|1,0,1]=4 85 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [1,1,0,0,0,0|1,0,1]=4 86 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,1,0,0,0,0|2,0,0]=4 87 B11R2.106 BrC1=C2NN=NC2=CC=C1 CDS021140 [1,1,0,0,0,0|2,0,0]=4 88 B11R2.106 BrC1=CN=CC2=C1C=NN2 BLN00051 [1,1,0,0,0,0|1,0,1]=4 89 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [1,1,0,0,0,0|1,0,1]=4 90 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [1,1,0,0,0,0|1,0,1]=4 91 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [1,1,0,0,0,0|1,0,1]=4 92 B11R2.106 ClC1=CC=CC2=NN=CN12 SYX00172 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.162 ClC1=NC=NC2=CC=C(C=C12)I PH009966 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,1,0,0,0,1|2,0,0]=4 99 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.328 NC1=CC2=C(C=CN=C2)C(=N1)Br S872938 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,0,0,1|2,0,0]=4 102 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,1,0,0,0,1|2,0,0]=4 103 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,0,0,1|2,0,0]=4 104 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [1,1,0,0,0,1|1,0,0]=4 105 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [1,1,0,0,0,1|1,0,0]=4