0 B11R2.106 BrC1=C2C=CNC2=NN=C1 94926 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.106 BrC1=NC=NC2=C1CCC2 AC9445 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.106 ClC1=C2C=CNC2=NN=C1 AT24510 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.106 ClC1=NC=NC2=C1CNC2 P16083 [0,0,0,0,0,0|2,0,2]=4 4 B11R2.106 ClC1=NC=NC2=C1N=NN2 D74453 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.106 ClC1=NC=NN2C=NC=C12 80935 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.106 ClC1=NC=NN2C=NC=C12 P10556 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.106 ClC1=NC=NN2C=NN=C12 81126 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.106 NC1=CN=NC2=C1C=CN2 94927 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.106 NC1=NC=CC2=NN=CN12 AT12336 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.106 O=C1NC=NC2=CSC=C12 C90305 [0,0,0,0,0,0|2,0,2]=4 11 B11R2.106 OC1=C2C=CNC2=NN=C1 94925 [0,0,0,0,0,0|3,0,0]=3 12 B11R2.106 OC1=C2CCNC2=NC=C1 D72164 [0,0,0,0,0,0|2,0,1]=3 13 B11R2.106 OC1=C2OC=CC2=NC=C1 AC4466 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.106 OC1=NN=NC2=C1C=CN2 94933 [0,0,0,0,0,0|2,0,0]=2 15 B10R2.7 C1=CC2=CN=NC=C2N1 A10645 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.82 CC1=C(F)C=NC2=C1C=CN2 D74967 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.82 CC1=C(I)C=NC2=C1C=CN2 D96677 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.82 ClC1=C(I)C2=C(C=C1)NN=C2 AT22647 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.82 FC1=C(Cl)C2=C(C=C1)NN=C2 51640 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.82 FC1=C(F)C2=C(N=C1)NC=C2 96348 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.82 NC1=C(Cl)C=CC2=C1C=NN2 AT22648 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.82 NC1=C(F)C2=C(C=C1)NN=C2 P11001 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.82 OC1=C(Br)C=NC2=C1C=CS2 C91365 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.82 OC1=C(Cl)C=NC2=C1C=CS2 C92698 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.196 CC1=NNC2=C1N=CN=C2Cl 91062 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.196 CN1C=CC2=C1C=CN=C2N C14029 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.196 CN1C=CC2=C1N=NN=C2Cl AT21776 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.202 CC1=CC2=C(O)C=CN=C2N1 P11524 [0,1,0,0,0,0|2,0,0]=3 29 B12R2.202 ClC1=NC=NC2=C1N=C(Br)N2 37975 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.202 NC1=NC=NC2=C1C=C(Br)O2 E71256 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.202 NC1=NC=NC2=C1N=C(Br)N2 D77152 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.202 NC1=NC=NC2=C1N=C(Cl)N2 D75997 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.202 OC1=CC=NC2=C1C=C(Br)S2 D76158 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.203 BrC1=NC=CC2=C1C(Br)=NN2 79001 [0,1,0,0,0,0|2,0,0]=3 35 B12R2.203 CC1=C2C(Cl)=NC=NN2C=N1 P10555 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.203 CC1=C2C(I)=NNC2=NC=C1 AT13964 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.203 CC1=NNC2=NC=CC(I)=C12 AT16506 [0,1,0,0,0,0|2,0,0]=3 38 B12R2.203 CC1=NNC2=NC=CC(N)=C12 P15014 [0,1,0,0,0,0|2,0,0]=3 39 B12R2.203 ClC1=NNC2=NC=CC(I)=C12 AT16502 [0,1,0,0,0,0|2,0,0]=3 40 B12R2.203 FC1=CNC2=C1C(Cl)=NC=C2 D75805 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.203 FC1=NNC2=CC=CC(Br)=C21 AT22909 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.203 NC1=C2C(Br)=CNC2=CC=N1 P12266 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.203 NC1=C2C(Br)=COC2=NC=N1 P12268 [0,1,0,0,0,0|3,0,0]=4 44 B12R2.203 NC1=CNC2=NC=CC(F)=C12 AT25312 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.203 OC1=C2C(Br)=CNC2=CC=N1 I11021 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.221 ClC1=C2C=CNC2=C(Br)C=N1 P17573 [0,1,0,0,0,0|3,0,0]=4 47 B12R2.246 CC1=CC(I)=C2C=CNC2=N1 I10878 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.246 CC1=CN2C=NC=C2C(O)=N1 AT20206 [0,1,0,0,0,0|3,0,0]=4 49 B12R2.246 ClC1=NC(Cl)=C2N=NNC2=N1 D74225 [0,1,0,0,0,0|2,0,0]=3 50 B12R2.246 ClC1=NC2=CSC=C2C(Cl)=N1 P10904 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.246 NC1=C2C=CSC2=NC(Cl)=N1 AC9334 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.246 NC1=CC(F)=C2C=CNC2=N1 I10887 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.246 NC1=CC(I)=C2C=CNC2=N1 I10943 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.246 NC1=CC2=C(C=CN2)C(O)=N1 AC9847 [0,1,0,0,0,0|2,0,0]=3 55 B12R2.246 NC1=NC2=C(N=NN2)C(Cl)=N1 C16616 [0,1,0,0,0,0|2,0,0]=3 56 B12R2.315 N#CC1=NC=NC2=C1CCN2 90576 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.245 N#CC1=C(O)N=CN=C1Cl AC8479 [0,0,1,0,0,0|1,0,2]=4 58 B10R1.245 NC1=NC=CC(Br)=C1C=O P19341 [0,0,1,0,0,0|3,0,0]=4 59 B10R1.245 NC1=NC=NC(N)=C1C=O AC8608 [0,0,1,0,0,0|2,0,0]=3 60 B12R2.1081 BrC1=NC=CC2=CC=NC=C21 AT12765 [0,0,0,0,0,1|3,0,0]=4 61 B12R2.1081 ClC1=NC=CC2=NN=CC=C12 AT16270 [0,0,0,0,0,1|2,0,1]=4 62 B12R2.1081 ClC1=NC=NC2=C1OCCN2 AT11191 [0,0,0,0,0,1|2,0,1]=4 63 B12R2.1081 NC1=NC=CC2=CN=CC=C21 AT10483 [0,0,0,0,0,1|3,0,0]=4 64 B12R2.1081 NC1=NC=NC2=NC=CN=C12 95757 [0,0,0,0,0,1|2,0,1]=4 65 B9R1.3 NC1=NC=NC(N)=C1I D76645 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.15 CC1=NC=NC=C1CN F31022 [1,0,1,0,0,0|1,0,1]=4 67 B11R1.605 O\N=C\C1=C(O)N=CN=C1O AC9166 [0,1,1,0,0,0|1,0,0]=3 68 B11R1.156 CC1=NC=NC(N)=C1C(=O)O AT10451 [0,1,1,0,0,0|2,0,0]=4 69 B11R1.464 NC1=NC(Cl)=NC(Cl)=C1C=O D73605 [0,1,1,0,0,0|2,0,0]=4 70 B11R2.1 CN1N=NC2=CN=CN=C21 D74226 [1,1,0,0,0,0|1,0,0]=3 71 B11R2.36 CC1=NC=C2C=NNC2=C1 AT24664 [1,1,0,0,0,0|1,0,0]=3 72 B11R2.36 OC1=NC=C2C=CNC2=C1 I11287 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.162 FC1=NC=C2N=CN=C(Cl)C2=C1 E71989 [0,1,0,0,0,1|2,0,0]=4 74 B13R2.162 O=C1CNC2=C(N1)C(Cl)=NC=N2 D73037 [0,1,0,0,0,1|2,0,0]=4 75 B13R2.342 CC1=C2N=CN=C(Cl)C2=CC=N1 AT16611 [0,1,0,0,0,1|2,0,0]=4 76 B13R2.84 N#CC1=C(Cl)C2=C(N=C1)NN=C2 P13095 [0,2,0,0,0,0|2,0,0]=4 77 B13R2.3790 CN1C=NC2=C(C1=O)C(Br)=NN2 P14998 [0,2,0,0,0,0|0,0,2]=4 78 B13R2.573 CN1C=CC2=C1N=CN=C2C=O P14443 [0,2,0,0,0,0|1,0,1]=4 79 B13R2.573 CN1C=CC2=C1N=CN=C2CN P14445 [0,2,0,0,0,0|2,0,0]=4 80 B13R2.573 CN1C=CC2=C1N=CN=C2CO P14440 [0,2,0,0,0,0|1,0,0]=3 81 B13R2.3742 CC1=NC2=C(C=NN2C)C(N)=N1 D73425 [0,2,0,0,0,0|1,0,0]=3 82 B13R2.4857 CC1=NN(C)C2=C1C(Cl)=NC=N2 86997 [0,2,0,0,0,0|1,0,0]=3 83 B13R2.581 CC1=CC2=C(N=CN=C2C#N)N1 P14432 [0,2,0,0,0,0|2,0,0]=4 84 B13R2.581 CC1=CC2=C(N=CN=C2C=O)N1 P14444 [0,2,0,0,0,0|1,0,1]=4 85 B13R2.581 CC1=CC2=C(N=CN=C2CO)N1 P14441 [0,2,0,0,0,0|1,0,0]=3 86 B13R2.5397 CC1=CC2=C(N=C(C)N=C2N)N1 97106 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.5397 CC1=CC2=C(N=C(N)N=C2Cl)N1 P12846 [0,2,0,0,0,0|2,0,0]=4 88 B13R2.582 CC1=CNC2=C1C(C=O)=NC=N2 P14131 [0,2,0,0,0,0|1,0,1]=4 89 B13R2.582 CC1=CNC2=C1C(CN)=NC=N2 P14447 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.582 CC1=CNC2=C1C(CO)=NC=N2 P14442 [0,2,0,0,0,0|1,0,0]=3 91 B13R2.582 COC1=C2C(=CC=N1)NN=C2Br 79020 [0,2,0,0,0,0|1,0,0]=3 92 B13R2.582 COC1=C2C(I)=CNC2=CC=N1 C71006 [0,2,0,0,0,0|2,0,0]=4 93 B13R2.2091 C#CC1=CNC2=C1C(N)=NC=N2 D72554 [0,2,0,0,0,0|2,0,0]=4 94 B13R2.2091 N#CC1=CNC2=NC=NC(N)=C12 D73402 [0,2,0,0,0,0|2,0,0]=4 95 B13R2.2091 N#CC1=NNC2=C1C(Cl)=NC=C2 P15012 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.2091 N#CC1=NNC2=NC=NC(N)=C12 D73565 [0,2,0,0,0,0|1,0,0]=3 97 B13R2.11642 CC1=C2C(F)=CNC2=NC(Cl)=N1 93473 [0,2,0,0,0,0|2,0,0]=4 98 B13R2.11642 CC1=CNC2=C1C(Cl)=NC(N)=N2 D97102 [0,2,0,0,0,0|2,0,0]=4 99 B13R2.11642 NC1=NC(N)=C2C(Br)=NNC2=N1 D73122 [0,2,0,0,0,0|1,0,0]=3 100 B13R2.11642 NC1=NC(N)=C2C(Cl)=NNC2=N1 D73522 [0,2,0,0,0,0|1,0,0]=3 101 B13R2.11642 NC1=NC(N)=C2C(I)=NNC2=N1 D73566 [0,2,0,0,0,0|1,0,0]=3 102 B13R2.623 COC1=NC(N)=NC2=C1C=NN2 C71038 [0,2,0,0,0,0|0,0,0]=2 103 B13R2.654 CSC1=NC(C)=C2C=NNC2=N1 P13490 [0,2,0,0,0,0|1,0,0]=3 104 B13R2.654 CSC1=NC2=C(N=NN2)C(Cl)=N1 D74230 [0,2,0,0,0,0|2,0,0]=4 105 B13R2.5569 CC(=O)C1=NC=NC2=C1C=CN2 AT25515 [0,2,0,0,0,0|1,0,1]=4 106 B13R2.5569 O=[N+]([O-])C1=C2C=NNC2=NC=C1 P12091 [0,2,0,0,0,0|1,0,1]=4 107 B9R2.3 C1=CC2=C(C=NN2)S1 87594 [1,0,0,0,1,0|2,0,0]=4 108 B9R2.3 C1=CC2=C(N=CS2)N1 AT19939 [1,0,0,0,1,0|2,0,0]=4