0 B11R2.106 BrC1=CN=CC2=C1C=NN2 BLN00051 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.106 ClC1=NC=CC2=C1C=NN2 BLN00015 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.106 ClC1=NC=NC2=C1N=CS2 CDS021287 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.106 O=C1CCCC2=C1C=NN2 CBR02120 [0,0,0,0,0,0|2,0,2]=4 9 B11R2.106 O=C1NC=NC2=C1C=CS2 JRD0205 [0,0,0,0,0,0|2,0,2]=4 10 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,0,0,0,0,0|2,0,0]=2 11 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,0,0,0,0,0|3,0,0]=3 13 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,0,0|2,0,0]=3 14 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [1,0,0,0,0,0|1,0,0]=2 15 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [1,0,0,0,0,0|3,0,0]=4 16 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,0,0|3,0,0]=4 17 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.82 CC1=C2C=CNC2=NC=C1Cl ADE000993 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.82 CC1=C2C=CNC2=NC=C1F ADE001062 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.82 CC1=CN=C2NC=CC2=C1Cl ADE000979 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.82 ClC1=C(C2=C(N=C1)NC=C2)I ADE000989 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.82 ClC1=C2C=CNC2=NC=C1Br CVT00115 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.82 ClC1=C2C=CNC2=NC=C1I ADE000983 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.82 ClC1=CN=C2NC=CC2=C1Cl ADE001014 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.82 FC1=CN=C2NC=CC2=C1Cl ADE001015 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.82 FC1=CN=C2NC=CC2=C1I ADE000982 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.82 NC1=C2C=CNC2=NC=C1Cl ADE001007 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.82 OC1=C(C2=C(N=C1)NC=C2)Cl ADE000991 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.82 OC1=C2C=CNC2=NC=C1Cl ADE000990 [0,1,0,0,0,0|2,0,0]=3 30 B12R2.82 OC1=C2C=CNC2=NC=C1F ADE001023 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.196 CN1C=CC2=C(C=CN=C12)Cl CDS023532 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.196 CN1C=CC2=C(N=CN=C12)Cl JRD0459 [0,1,0,0,0,0|2,0,0]=3 33 B12R2.196 CN1C=CC2=C(N=CN=C12)N JRD0458 [0,1,0,0,0,0|2,0,0]=3 34 B12R2.202 CC1=NC2=C(N1)N=CN=C2Cl CDS009066 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.202 ClC1=CC=NC2=C1C=C(N2)I CVT00093 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.202 N1C(=NC2=C1N=CN=C2O)S S458120 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.203 BrC1=NC=CC2=C1C(=NN2)Br BLN00061 [0,1,0,0,0,0|2,0,0]=3 38 B12R2.203 BrC1=NC=CC2=C1C(=NN2)I BLN00064 [0,1,0,0,0,0|2,0,0]=3 39 B12R2.203 ClC1=C2C(=CNC2=CC=N1)I ADE001313 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.203 ClC1=C2C(=CNC2=NC=C1)Br SYX00215 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.203 ClC1=C2C(=CNC2=NC=C1)I ADE000946 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.203 ClC1=NC=CC2=C1C(=NN2)Br BLN00028 [0,1,0,0,0,0|2,0,0]=3 43 B12R2.203 ClC1=NC=CC2=C1C(=NN2)I BLN00018 [0,1,0,0,0,0|2,0,0]=3 44 B12R2.203 NC1=C2C(=NNC2=NC=N1)Br ADE001441 [0,1,0,0,0,0|1,0,0]=2 45 B12R2.203 NC1=C2C(=NNC2=NC=N1)I ADE001444 [0,1,0,0,0,0|1,0,0]=2 46 B12R2.221 CC1=CC=C(C2=C1C=NN2)N CDS016575 [0,1,0,0,0,0|3,0,0]=4 47 B12R2.246 CC1=CC(=CC2=C1C=NN2)Br CDS022566 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)Cl JRD0183 [0,1,0,0,0,0|2,0,0]=3 49 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)N JRD0185 [0,1,0,0,0,0|2,0,0]=3 50 B12R2.246 CC1=NC2=C(C=CS2)C(=N1)Cl JRD0215 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.246 CC1=NC2=C(C=NN2)C(=N1)O PH018689 [0,1,0,0,0,0|0,0,0]=1 52 B12R2.246 ClC1=CC2=C(C=NN2)C(=C1)I PHB00098 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.246 ClC1=NC(=C2C=CSC2=N1)Cl SYX00043 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.246 FC1=C2C=NNC2=CC(=C1)Br SYX00189 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.246 N1C=NC2=C1N=C(N=C2O)S S448524 [0,1,0,0,0,0|2,0,0]=3 56 B12R2.246 NC1=NC(=C2C=NNC2=N1)Cl CDS007701 [0,1,0,0,0,0|1,0,0]=2 57 B12R2.246 NC1=NC(=NC2=C1C=CS2)S CDS011798 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.246 NC1=NC(=NC2=C1C=NN2)O CDS000700 [0,1,0,0,0,0|1,0,0]=2 59 B12R2.246 NC1=NC(=NC2=C1N=CN2)O CDS000009 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.246 O=C1NC(=NC2=C1C=CN2)S JRD0216 [0,1,0,0,0,0|1,0,2]=4 61 B12R2.246 OC1=NC(=C2CSCC2=N1)O T135305 [0,1,0,0,0,0|2,0,1]=4 62 B12R2.246 OC1=NC(=NC2=C1SCC2)S S216747 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.246 SC1=NC2=C(N=CN2)C(=N1)S S459070 [0,1,0,0,0,0|2,1,0]=4 64 B12R2.315 C(=O)C1=C2C=CNC2=NC=C1 CVT00121 [0,1,0,0,0,0|2,0,1]=4 65 B12R2.315 COC1=C2C=CNC2=NC=C1 ADE000907 [0,1,0,0,0,0|2,0,0]=3 66 B12R2.315 N#CC1=NC=CC2=C1C=CN2 ADE000998 [0,1,0,0,0,0|3,0,0]=4 67 B12R2.315 NNC1=NC=NC2=C1C=CN2 JRD1572 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.315 OCC1=CC=CC2=C1C=CN2 CDS004744 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.2 OC1=NC=NC(=C1F)CCl S217328 [0,0,1,0,0,0|3,0,0]=4 70 B10R1.2 OC1=NC=NC(=C1F)CF S217018 [0,0,1,0,0,0|3,0,0]=4 71 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [0,0,1,0,0,0|3,0,0]=4 72 B10R1.4 O/N=C/C1=C(C=CN=C1)Cl ADE000661 [0,0,1,0,0,0|3,0,0]=4 73 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,0,1,0,0,0|3,0,0]=4 74 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [0,0,0,0,0,1|3,0,0]=4 75 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,0,0,0,0,1|3,0,0]=4 76 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,0,0,0,0,1|3,0,0]=4 77 B12R2.1081 OC1=NC=NC2=C1CCCC2 R263044 [0,0,0,0,0,1|2,0,1]=4 78 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [1,0,1,0,0,0|1,0,1]=4 79 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [1,0,1,0,0,0|1,0,1]=4 80 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [1,0,1,0,0,0|2,0,0]=4 81 B9R1.3 CC1=NC=NC(=C1O)O S217778 [1,0,1,0,0,0|2,0,0]=4 82 B9R1.3 NC1=NC=NC(=C1Cl)Cl CDS009579 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,1,0,0,0|2,0,0]=4 84 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [1,0,1,0,0,0|1,0,1]=4 85 B11R1.464 C(=O)C1=C(N=C(N=C1N)N)O CBR02336 [0,1,1,0,0,0|1,0,0]=3 86 B11R1.464 NC1=NC(=C(C(=N1)N)N=O)O S415715 [0,1,1,0,0,0|2,0,0]=4 87 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [1,1,0,0,0,0|1,0,0]=3 88 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [1,1,0,0,0,0|1,0,0]=3 89 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,1,0,0,0,0|2,0,0]=4 90 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [1,1,0,0,0,0|1,0,0]=3 91 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [1,1,0,0,0,0|1,0,0]=3 92 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [1,1,0,0,0,0|1,0,0]=3 93 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,1,0,0,0,0|2,0,0]=4 94 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [1,1,0,0,0,0|2,0,0]=4 95 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [1,1,0,0,0,0|1,0,0]=3 96 B11R2.36 BrC1=CN=C2NN=CC2=C1 ADE000064 [1,1,0,0,0,0|1,0,0]=3 97 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [1,1,0,0,0,0|2,0,0]=4 98 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [1,1,0,0,0,0|2,0,0]=4 99 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [1,1,0,0,0,0|2,0,0]=4 100 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [1,1,0,0,0,0|2,0,0]=4 101 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [1,1,0,0,0,0|1,0,0]=3 102 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [1,1,0,0,0,0|2,0,0]=4 103 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [1,1,0,0,0,0|2,0,0]=4 104 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [1,1,0,0,0,0|2,0,0]=4 105 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [1,1,0,0,0,0|1,0,0]=3 106 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [1,1,0,0,0,0|2,0,0]=4 107 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [1,1,0,0,0,0|2,0,0]=4 108 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [1,1,0,0,0,0|2,0,0]=4 109 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [1,1,0,0,0,0|2,0,0]=4 110 B11R2.36 IC1=CN=C2NN=CC2=C1 ADE000069 [1,1,0,0,0,0|1,0,0]=3 111 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [1,1,0,0,0,0|2,0,0]=4 112 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,1|2,0,0]=4 114 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,1,0,0,0,1|2,0,0]=4 115 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.5179 OC1=NC=NC2=CC(=CN=C12)Br ADE000060 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.121 COC1=C2C=CNC2=NC=C1Cl ADE000985 [0,2,0,0,0,0|2,0,0]=4 118 B13R2.121 OCC1=C2C=CNC2=NC=C1F ADE001079 [0,2,0,0,0,0|2,0,0]=4 119 B13R2.573 CN1N=CC2=C(C=CC=C12)CO PHB00058 [0,2,0,0,0,0|2,0,0]=4 120 B13R2.4857 CN1C=C(C2=C(N=CN=C12)Cl)Br JRD0460 [0,2,0,0,0,0|2,0,0]=4 121 B13R2.5397 N1C(=NC2=C1N=C(N=C2O)S)O S928437 [0,2,0,0,0,0|2,0,0]=4 122 B13R2.5397 NC1=NC2=C(N=C(N2)Br)C(=N1)O S785652 [0,2,0,0,0,0|2,0,0]=4 123 B13R2.582 COC1=C2C(=CNC2=NC=C1)I ADE000911 [0,2,0,0,0,0|2,0,0]=4 124 B13R2.2091 CCC1=CNC2=NC=NC(=C12)Cl PH018557 [0,2,0,0,0,0|2,0,0]=4 125 B13R2.11642 CC1=NC2=C(C(=NO2)C)C(=N1)Cl CBR01798 [0,2,0,0,0,0|2,0,0]=4 126 B13R2.11642 N1N=C(C2=C1C=C(N=C2O)O)N S511129 [0,2,0,0,0,0|1,0,0]=3 127 B13R2.623 COC1=CC(=CC2=C1C=NN2)Br CDS022565 [0,2,0,0,0,0|2,0,0]=4 128 B13R2.623 OCC1=C2C=NNC2=CC(=C1)Br CVT00005 [0,2,0,0,0,0|2,0,0]=4 129 B13R2.654 CSC1=NC(=C2C=CNC2=N1)O R439363 [0,2,0,0,0,0|1,0,0]=3 130 B13R2.654 CSC1=NC2=C(C=CN2)C(=N1)Cl JRD0387 [0,2,0,0,0,0|2,0,0]=4 131 B13R2.654 CSC1=NC2=C(C=CN2)C(=N1)S T121169 [0,2,0,0,0,0|1,1,0]=4 132 B13R2.654 CSC1=NC2=C(C=NN2)C(=N1)N JRD0261 [0,2,0,0,0,0|1,0,0]=3 133 B13R2.5569 O=C(O)C1=C2C=CNC2=NC=C1 ADE000938 [0,2,0,0,0,0|2,0,0]=4 134 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CN2 ADE001003 [0,2,0,0,0,0|2,0,0]=4 135 B13R2.5569 OB(O)C1=CC=CC2=C1C=NN2 CDS023167 [0,2,0,0,0,0|2,0,0]=4