0 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,0,0,0,0,0|1,1,0]=2 1 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,0,0,0|1,1,1]=3 2 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,0,0,0,0,0|1,1,0]=2 3 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,0,0,0,0,0|2,0,0]=2 4 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,0,0,0,0,0|3,0,0]=3 5 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,0,0,0,0,0|2,0,0]=2 6 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,0,0,0,0,0|3,0,0]=3 7 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [0,0,0,0,0,0|2,1,0]=3 8 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,0,0,0,0,0|1,0,0]=1 9 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [0,0,0,0,0,0|3,0,0]=3 10 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,0,0,0,0,0|1,0,2]=3 11 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [0,0,0,0,0,0|3,0,0]=3 12 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,0,0,0,0,0|2,0,0]=2 13 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,0,0,0,0,0|3,0,0]=3 14 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [0,0,0,0,0,0|2,1,0]=3 15 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [0,0,0,0,0,0|2,1,0]=3 16 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,0,0,0,0,0|1,1,0]=2 17 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,0,0,0|0,0,0]=1 18 B11R2.1 BrC1=CSC2=CN=CN=C12 SYX00430 [0,1,0,0,0,0|2,1,0]=4 19 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [0,1,0,0,0,0|3,0,0]=4 20 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [0,1,0,0,0,0|3,0,0]=4 21 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [0,1,0,0,0,0|3,0,0]=4 22 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [0,1,0,0,0,0|3,0,0]=4 23 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,1,0,0,0,0|2,0,0]=3 24 B11R2.1 CC1=CSC2[NH+]1C=CC=C2 S697168 [0,1,0,0,0,0|1,1,1]=4 25 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,0,0,0|2,0,0]=3 26 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,0,0,0|1,0,0]=2 27 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,1,0,0,0,0|3,0,0]=4 28 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,1,0,0,0,0|1,1,0]=3 29 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [0,1,0,0,0,0|3,0,0]=4 30 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [0,1,0,0,0,0|3,0,0]=4 31 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,0,0,0|1,0,0]=2 33 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,0,0,0|1,1,0]=3 34 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,0,0,0|1,1,0]=3 35 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [0,1,0,0,0,0|3,0,0]=4 36 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,0,0,0|2,0,0]=3 37 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,1,0,0,0,0|3,0,0]=4 38 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [0,1,0,0,0,0|3,0,0]=4 39 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,0,0,0|1,0,0]=2 40 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,1,0,0,0,0|2,0,0]=3 41 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,0,0,0|0,0,2]=3 42 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,0,0,0|2,0,0]=3 43 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,0,0,0|2,0,0]=3 44 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,0,0,0|1,0,0]=2 45 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,1,0,0,0,0|2,0,0]=3 46 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,1,0,0,0,0|2,0,0]=3 47 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,1,0,0,0,0|3,0,0]=4 48 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,1,0,0,0,0|0,0,2]=3 49 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,1,0,0,0,0|2,0,1]=4 50 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,1,0,0,0,0|3,0,0]=4 51 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,1,0,0,0,0|2,0,0]=3 52 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,1,0,0,0,0|2,0,0]=3 53 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,1,0,0,0,0|1,0,0]=2 54 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,1,0,0,0,0|1,0,0]=2 55 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,1,0,0,0,0|1,0,0]=2 56 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,1,0,0,0,0|1,0,2]=4 57 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,1,0,0,0,0|1,1,0]=3 58 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [0,1,0,0,0,0|3,0,0]=4 59 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,1,0,0,0,0|1,1,0]=3 60 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [0,1,0,0,0,0|3,0,0]=4 61 B11R2.36 BrC1=CC2=C(C=NN2)N=C1 BLN00048 [0,1,0,0,0,0|3,0,0]=4 62 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [0,1,0,0,0,0|2,0,0]=3 63 B11R2.36 BrC1=CC2=NC=NN2C=C1 SYX00403 [0,1,0,0,0,0|3,0,0]=4 64 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [0,1,0,0,0,0|3,0,0]=4 65 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,1,0,0,0,0|2,0,1]=4 66 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,1,0,0,0,0|2,0,0]=3 67 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,1,0,0,0,0|2,0,0]=3 68 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,1,0,0,0,0|1,0,0]=2 69 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,1,0,0,0,0|1,0,0]=2 70 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,1,0,0,0,0|0,1,0]=2 71 B11R2.36 BrC1=CN2C=NN=C2C=C1 SYX00142 [0,1,0,0,0,0|3,0,0]=4 72 B11R2.36 BrC1=CN2N=CN=C2C=C1 SYX00141 [0,1,0,0,0,0|3,0,0]=4 73 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [0,1,0,0,0,0|2,0,0]=3 74 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,1,0,0,0,0|1,0,0]=2 75 B11R2.36 BrC1=CN=C2NN=CC2=C1 ADE000064 [0,1,0,0,0,0|3,0,0]=4 76 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [0,1,0,0,0,0|1,0,0]=2 77 B11R2.36 BrC1=NC2=C(C=C1)NN=C2 BLN00049 [0,1,0,0,0,0|3,0,0]=4 78 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [0,1,0,0,0,0|2,0,0]=3 79 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,1,0,0,0,0|2,0,0]=3 80 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,1,0,0,0,0|1,0,2]=4 81 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,1,0,0,0,0|3,0,0]=4 82 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [0,1,0,0,0,0|3,0,0]=4 83 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,1,0,0,0,0|2,0,0]=3 84 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [0,1,0,0,0,0|3,0,0]=4 85 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,1,0,0,0,0|2,0,0]=3 86 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,1,0,0,0,0|2,0,0]=3 87 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [0,1,0,0,0,0|3,0,0]=4 88 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,1,0,0,0,0|1,0,2]=4 89 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,1,0,0,0,0|2,0,0]=3 90 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [0,1,0,0,0,0|3,0,0]=4 91 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,1,0,0,0,0|2,0,0]=3 92 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [0,1,0,0,0,0|2,1,0]=4 93 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,1,0,0,0,0|2,0,0]=3 94 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,1,0,0,0,0|2,0,0]=3 95 B11R2.36 ClC1=CC=C2NN=CC2=N1 BLN00012 [0,1,0,0,0,0|3,0,0]=4 96 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,1,0,0,0,0|2,0,0]=3 97 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [0,1,0,0,0,0|2,0,0]=3 98 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,1,0,0,0,0|1,0,0]=2 99 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [0,1,0,0,0,0|2,0,0]=3 100 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [0,1,0,0,0,0|3,0,0]=4 101 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [0,1,0,0,0,0|2,1,0]=4 102 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 CDS021194 [0,1,0,0,0,0|2,1,0]=4 103 B11R2.36 ClC1=NN2C=CN=C2C=C1 CDS005940 [0,1,0,0,0,0|3,0,0]=4 104 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,1,0,0,0,0|1,0,2]=4 105 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,1,0,0,0,0|1,0,0]=2 106 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,1,0,0,0,0|2,0,0]=3 107 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,1,0,0,0,0|1,0,2]=4 108 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,1,0,0,0,0|2,0,0]=3 109 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [0,1,0,0,0,0|2,0,0]=3 110 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,1,0,0,0,0|1,0,2]=4 111 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,0,0,0|0,0,2]=3 112 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,0,0,0|0,0,2]=3 113 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,1,0,0,0,0|1,0,1]=3 114 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [0,1,0,0,0,0|2,0,0]=3 115 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,1,0,0,0,0|1,0,0]=2 116 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [0,1,0,0,0,0|2,0,0]=3 117 B11R2.36 IC1=CN=C2NN=CC2=C1 ADE000069 [0,1,0,0,0,0|3,0,0]=4 118 B11R2.36 N1C=NC2=C1N=CC(=C2)Br ANV00244 [0,1,0,0,0,0|3,0,0]=4 119 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,1,0,0,0,0|1,0,2]=4 120 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,1,0,0,0,0|2,0,0]=3 121 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,1,0,0,0,0|3,0,0]=4 122 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,0,0,0|1,0,0]=2 123 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,1,0,0,0,0|1,0,2]=4 124 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [0,1,0,0,0,0|2,0,0]=3 125 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,1,0,0,0,0|2,0,0]=3 126 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [0,1,0,0,0,0|3,0,0]=4 127 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,1,0,0,0,0|2,0,0]=3 128 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [0,1,0,0,0,0|2,0,0]=3 129 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,1,0,0,0,0|1,0,0]=2 130 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [0,1,0,0,0,0|2,0,0]=3 131 B11R2.36 OC1=NN2C=CN=C2C=C1 SYX00185 [0,1,0,0,0,0|3,0,0]=4 132 B11R2.106 BrC1=C2NN=CC2=CN=C1 BLN00050 [0,1,0,0,0,0|3,0,0]=4 133 B11R2.106 BrC1=C2NN=NC2=CC=C1 CDS021140 [0,1,0,0,0,0|3,0,0]=4 134 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,1,0,0,0,0|0,0,0]=1 135 B11R2.106 BrC1=CC=CC2=NSN=C12 CDS014873 [0,1,0,0,0,0|3,0,0]=4 136 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [0,1,0,0,0,0|2,0,0]=3 137 B11R2.106 BrC1=CN=CC2=C1C=NN2 BLN00051 [0,1,0,0,0,0|3,0,0]=4 138 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,1,0,0,0,0|2,0,0]=3 139 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,1,0,0,0,0|2,0,0]=3 140 B11R2.106 CC1=CC=CC2=N[Se]N=C12 S30687 [0,1,0,0,0,0|3,0,0]=4 141 B11R2.106 CC1=CN=CC2=C1NN=C2 BLN00046 [0,1,0,0,0,0|3,0,0]=4 142 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [0,1,0,0,0,0|2,0,0]=3 143 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,1,0,0,0,0|2,0,0]=3 144 B11R2.106 ClC1=CC=CC2=NN=CN12 SYX00172 [0,1,0,0,0,0|3,0,0]=4 145 B11R2.106 ClC1=CN=CC2=C1NN=C2 BLN00071 [0,1,0,0,0,0|3,0,0]=4 146 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [0,1,0,0,0,0|2,0,0]=3 147 B11R2.106 ClC1=NC=CC2=C1C=NN2 BLN00015 [0,1,0,0,0,0|3,0,0]=4 148 B11R2.106 ClC1=NC=CN2C1=CC=C2 SYX00428 [0,1,0,0,0,0|3,0,0]=4 149 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [0,1,0,0,0,0|2,0,0]=3 150 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [0,1,0,0,0,0|2,0,0]=3 151 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [0,1,0,0,0,0|1,0,0]=2 152 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [0,1,0,0,0,0|2,0,0]=3 153 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [0,1,0,0,0,0|1,0,0]=2 154 B11R2.106 O=C1NC=CN2C1=CC=C2 SYX00423 [0,1,0,0,0,0|3,0,0]=4 155 B11R2.106 O=C1NC=NC2=C1C=CS2 JRD0205 [0,1,0,0,0,0|2,1,0]=4 156 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,1,0,0,0,0|2,0,0]=3 157 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,0,0,0|2,0,0]=3 158 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,1,0,0,0,0|1,0,0]=2 159 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,0,0,0|1,0,0]=2 160 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [0,1,0,0,0,0|3,0,0]=4 161 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,1,0,0,0,0|1,0,0]=2 162 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,0,1,0,0,0|1,0,0]=2 164 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,0,1,0,0,0|2,0,1]=4 165 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,0,1,0,0,0|2,0,0]=3 166 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,0,1,0,0,0|1,0,2]=4 167 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,0,1,0,0,0|2,0,1]=4 168 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,0,1,0,0,0|2,0,1]=4 169 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,0,1,0,0,0|2,0,1]=4 170 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,0,1,0,0,0|2,0,1]=4 171 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,0,1,0,0,0|1,0,2]=4 172 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,0,1,0,0,0|1,0,2]=4 173 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [0,0,1,0,0,0|2,0,0]=3 174 B9R1.12 N#C/C=C/C1=CC=CS1 S679046 [0,0,1,0,0,0|1,1,1]=4 175 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,0,1,0,0,0|1,0,1]=3 176 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,0,1,0,0,0|2,0,1]=4 177 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,0,1,0,0,0|2,0,1]=4 178 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,0,1,0,0,0|3,0,0]=4 179 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,0,1,0,0,0|2,0,1]=4 180 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,0,1,0,0,0|2,0,1]=4 181 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,0,1,0,0,0|1,0,1]=3 182 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,0,1,0,0,0|2,0,1]=4 183 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,0,1,0,0,0|2,0,1]=4 184 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,0,1,0,0,0|3,0,0]=4 185 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,0,1,0,0,0|3,0,0]=4 186 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,0,1,0,0,0|3,0,0]=4 187 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,0,1,0,0,0|3,0,0]=4 188 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,0,1,0,0,0|1,0,1]=3 189 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,0,1,0,0,0|2,0,1]=4 190 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,0,1,0,0,0|3,0,0]=4 191 B9R1.15 OCC1=CC=CC=N1O S459240 [0,0,1,0,0,0|2,0,1]=4 192 B9R1.15 OCC1=NC=CC=C1O R578177 [0,0,1,0,0,0|2,0,1]=4 193 B9R1.103 C1=CCC=CCC=CC1 T199680 [0,0,1,0,0,0|1,0,2]=4 194 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,0,0,1|1,0,0]=2 195 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,0,0,1|1,0,2]=4 196 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,0,0,0,0,1|1,0,0]=2 197 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [0,0,0,0,0,1|2,0,0]=3 198 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [0,0,0,0,0,1|2,0,0]=3 199 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,0,0,1|1,0,1]=3 200 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,0,0,1|0,0,2]=3 201 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [0,0,0,0,0,1|2,0,0]=3 202 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,0,0,0,0,1|1,0,2]=4 203 B11R2.20 C1=CN=C2OCCOC2=C1 ADE000017 [0,0,0,0,0,1|1,0,2]=4 204 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [0,0,0,0,0,1|3,0,0]=4 205 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,0,0,0,1|1,0,2]=4 206 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,0,0,0,0,1|1,0,2]=4 207 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,0,0,1|1,0,0]=2 208 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,1,0,0,0|2,0,0]=4 209 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,1,0,0,0|0,0,0]=2 210 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,1,0,0,0|0,0,0]=2 211 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,1,0,0,0|0,0,0]=2 212 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,1,0,0,0|2,0,0]=4 213 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,1,0,0,0|1,0,1]=4 214 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,1,0,0,0|1,0,1]=4 215 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,1,0,0,0|1,1,0]=4 216 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,1,0,0,0|1,0,1]=4 217 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,0,1,0,0,0|2,0,0]=4 218 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,1,0,0,0|1,1,0]=4 219 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,1,0,0,0|2,0,0]=4 220 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,1,0,0,0|2,0,0]=4 221 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,1,0,0,0|1,0,0]=3 222 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,1,0,0,0|2,0,0]=4 223 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,1,0,0,0|2,0,0]=4 224 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,1,0,0,0|2,0,0]=4 225 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,1,0,0,0|2,0,0]=4 226 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,1,0,0,0|2,0,0]=4 227 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,1,1,0,0,0|1,0,1]=4 228 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,1,1,0,0,0|1,0,1]=4 229 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,1,1,0,0,0|0,0,0]=2 230 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,1,1,0,0,0|1,0,0]=3 231 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,1,1,0,0,0|0,0,2]=4 232 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,1,1,0,0,0|0,0,2]=4 233 B10R1.1 C[N+]1=CC=C(C=C1)/C=N/O S935689 [0,1,1,0,0,0|2,0,0]=4 234 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,1,1,0,0,0|1,0,0]=3 235 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,1,1,0,0,0|1,0,0]=3 236 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,1,1,0,0,0|1,0,0]=3 237 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,1,1,0,0,0|1,0,1]=4 238 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,1,1,0,0,0|1,0,0]=3 239 B10R1.1 [O-][N+]1=CC=C(C=C1)C=NO PH008962 [0,1,1,0,0,0|2,0,0]=4 240 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,1,1,0,0,0|1,0,1]=4 241 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,1,1,0,0,0|1,0,1]=4 242 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,1,1,0,0,0|1,0,1]=4 243 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,1,1,0,0,0|2,0,0]=4 244 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [0,1,1,0,0,0|2,0,0]=4 245 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,1,1,0,0,0|0,1,0]=3 246 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,1,1,0,0,0|0,0,2]=4 247 B10R1.4 C[N+]1=CC=CC=C1/C=N/O R278505 [0,1,1,0,0,0|2,0,0]=4 248 B10R1.4 C[N+]1=CC=CC=C1C=NO S355097 [0,1,1,0,0,0|2,0,0]=4 249 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [0,1,1,0,0,0|2,0,0]=4 250 B10R1.4 O/N=C/C1=C(C=CN=C1)Cl ADE000661 [0,1,1,0,0,0|2,0,0]=4 251 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,1,1,0,0,0|1,0,0]=3 252 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,1,1,0,0,0|0,0,2]=4 253 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,1,1,0,0,0|1,0,1]=4 254 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,1,1,0,0,0|0,0,2]=4 255 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,1,1,0,0,0|1,0,1]=4 256 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [0,1,1,0,0,0|2,0,0]=4 257 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,1,1,0,0,0|1,0,0]=3 258 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,1,1,0,0,0|1,0,0]=3 259 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,1,1,0,0,0|1,0,0]=3 260 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,1,1,0,0,0|0,0,2]=4 261 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,1,1,0,0,0|1,0,1]=4 262 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,1,1,0,0,0|1,0,0]=3 263 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,1,0,0,0|1,0,0]=3 264 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,1,1,0,0,0|2,0,0]=4 265 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,1,0,0,0|2,0,0]=4 266 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,1,0,0,0|2,0,0]=4 267 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,1,0,0,0|2,0,0]=4 268 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,1,0,0,0|1,0,0]=3 269 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,1,0,0,0|0,0,2]=4 270 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,1,0,0,0|2,0,0]=4 271 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,1,0,0,0|1,0,1]=4 272 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,1,1,0,0,0|0,1,0]=3 273 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,1,1,0,0,0|1,0,0]=3 274 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,1,1,0,0,0|0,0,2]=4 275 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,1,1,0,0,0|1,0,1]=4 276 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,1,1,0,0,0|0,1,0]=3 277 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,1,1,0,0,0|0,1,0]=3 278 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,1,1,0,0,0|0,1,0]=3 279 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,1,1,0,0,0|1,0,0]=3 280 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,1,1,0,0,0|1,0,1]=4 281 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,1,1,0,0,0|1,0,1]=4 282 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [0,1,1,0,0,0|0,0,2]=4 283 B10R1.21 O/N=C/C=C/C1=CC=CO1 S836478 [0,1,1,0,0,0|1,0,0]=3 284 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,1,1,0,0,0|1,0,0]=3 285 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,1,1,0,0,0|1,0,1]=4 286 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S814792 [0,1,1,0,0,0|1,0,0]=3 287 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S826022 [0,1,1,0,0,0|1,0,0]=3 288 B10R1.66 O=C([O-])/C=C\C1=CC=CO1 S826030 [0,1,1,0,0,0|1,0,0]=3 289 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,1,1,0,0,0|1,0,1]=4 290 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,1,1,0,0,0|1,0,1]=4 291 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,1,1,0,0,0|1,0,1]=4 292 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,1,1,0,0,0|2,0,0]=4 293 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,1,1,0,0,0|2,0,0]=4 294 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,1,1,0,0,0|2,0,0]=4 295 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,1,1,0,0,0|0,0,0]=2 296 B10R1.20 COC1=CC=CC=C1NN S264407 [0,1,1,0,0,0|1,0,1]=4 297 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,1,1,0,0,0|1,0,1]=4 298 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,1,1,0,0,0|1,0,1]=4 299 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,1,1,0,0,0|1,0,1]=4 300 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,1,1,0,0,0|1,1,0]=4 301 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,1,1,0,0,0|2,0,0]=4 302 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,1,1,0,0,0|2,0,0]=4 303 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,1,1,0,0,0|2,0,0]=4 304 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,1,1,0,0,0|1,0,1]=4 305 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,1,1,0,0,0|1,0,1]=4 306 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,1,1,0,0,0|1,0,1]=4 307 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,1,1,0,0,0|1,0,1]=4 308 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,1,1,0,0,0|1,0,1]=4 309 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,1,1,0,0,0|2,0,0]=4 310 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,1,1,0,0,0|2,0,0]=4 311 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,1,1,0,0,0|2,0,0]=4 312 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,1,1,0,0,0|2,0,0]=4 313 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,1,1,0,0,0|0,0,2]=4 314 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,1,1,0,0,0|0,0,2]=4 315 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,1,1,0,0,0|0,0,2]=4 316 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,1,1,0,0,0|0,0,2]=4 317 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,1,1,0,0,0|1,0,1]=4 318 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,1,1,0,0,0|1,0,1]=4 319 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,1,1,0,0,0|1,0,1]=4 320 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,1,1,0,0,0|1,0,1]=4 321 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,1,1,0,0,0|1,0,1]=4 322 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,1,1,0,0,0|1,0,1]=4 323 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,1,1,0,0,0|2,0,0]=4 324 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,1,1,0,0,0|2,0,0]=4 325 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,1,1,0,0,0|1,0,1]=4 326 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,1,1,0,0,0|2,0,0]=4 327 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,1,1,0,0,0|1,0,1]=4 328 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,1,0,0,0|1,0,0]=3 329 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,1,0,0,0|2,0,0]=4 330 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,1,0,0,0|2,0,0]=4 331 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,1,0,0,0|1,0,1]=4 332 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,1,0,0,0|0,0,2]=4 333 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,1,0,0,0|2,0,0]=4 334 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,1,0,0,0|2,0,0]=4 335 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,1,0,0,0|1,0,0]=3 336 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,1,0,0,0|1,0,0]=3 337 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,1,0,0,0|2,0,0]=4 338 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,1,0,0,0|1,0,0]=3 339 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,1,1,0,0,0|2,0,0]=4 340 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,1,0,0,0|1,0,0]=3 341 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,1,1,0,0,0|2,0,0]=4 342 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,1,1,0,0,0|1,0,1]=4 343 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,1,1,0,0,0|1,0,1]=4 344 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,1,1,0,0,0|2,0,0]=4 345 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,1,0,0,1,0|0,0,1]=3 346 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,1,0,0,0,1|0,0,2]=4 347 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,1,0,0,0,1|1,0,0]=3 348 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,1,0,0,0,1|1,0,0]=3 349 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,1,0,0,0,1|2,0,0]=4 350 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,1,0,0,0,1|0,1,1]=4 351 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,1,0,0,0,1|2,0,0]=4 352 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,1,0,0,0,1|0,0,2]=4 353 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,1,0,0,0,1|1,0,0]=3 354 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,1,0,0,0,1|1,0,0]=3 355 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,1,0,0,0,1|1,0,0]=3 356 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,1,0,0,0,1|1,0,0]=3 357 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,1,0,0,0,1|0,0,2]=4 358 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,1,0,0,0,1|0,0,2]=4 359 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,1,0,0,0,1|1,0,0]=3 360 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,1,0,0,0,1|2,0,0]=4 361 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,0,0,1|0,1,1]=4 362 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,1,0,0,0,1|0,0,2]=4 363 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,1,0,0,0,1|1,0,0]=3 364 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,1,0,0,0,1|1,0,0]=3 365 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,1,0,0,0,1|1,0,0]=3 366 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,1,0,0,0,1|1,0,0]=3 367 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,1,0,0,0,1|2,0,0]=4 368 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,1,0,0,0,1|2,0,0]=4 369 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,1,0,0,0,1|1,0,0]=3 370 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,1,0,0,0,1|1,0,1]=4 371 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,1,0,0,0,1|0,0,2]=4 372 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,1,0,0,0,1|0,0,2]=4 373 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,0,0,1|1,0,1]=4 374 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,0,0,1|0,0,1]=3 375 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,1,0,0,0,1|1,0,1]=4 376 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,1,0,0,0,1|1,0,1]=4 377 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,1,0,0,0,1|1,0,0]=3 378 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,1,0,0,0,1|1,0,0]=3 379 B12R2.24 OC1=CC=C2OCCOC2=C1 CBR01871 [0,1,0,0,0,1|0,0,2]=4 380 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,1,0,0,0,1|2,0,0]=4 381 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,1,0,0,0,1|0,0,2]=4 382 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,0,0,1|1,0,1]=4 383 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,0,0,1|0,0,1]=3 384 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,1,0,0,0,1|1,0,1]=4 385 B12R2.1081 BrC1=CC=CC2=C1OCCO2 VBP00024 [0,1,0,0,0,1|0,0,2]=4 386 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [0,1,0,0,0,1|2,0,0]=4 387 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,0,0,1|1,0,1]=4 388 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,1,0,0,0,1|1,0,0]=3 389 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,1,0,0,0,1|1,0,0]=3 390 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,1,0,0,0,1|1,0,0]=3 391 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [0,1,0,0,0,1|2,0,0]=4 392 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,1,0,0,0,1|1,0,0]=3 393 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,1,0,0,0,1|1,0,0]=3 394 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,1,0,0,0,1|1,0,0]=3 395 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [0,1,0,0,0,1|1,0,0]=3 396 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,1,0,0,0,1|1,0,0]=3 397 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,1,0,0,0,1|1,0,0]=3 398 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,1,0,0,0,1|1,0,0]=3 399 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,1,0,0,0,1|1,0,0]=3 400 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,0,0,1|0,1,0]=3 401 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,0,0,1|1,0,1]=4 402 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,0,0,1|0,0,1]=3 403 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,0,0,1|1,0,0]=3 404 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,0,0,1|1,0,0]=3 405 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,0,0,1|1,0,0]=3 406 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,1,0,0,0,1|1,0,0]=3 407 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,1,0,0,0,1|1,0,0]=3 408 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,1,0,0,0,1|1,0,0]=3 409 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [0,1,0,0,0,1|1,0,0]=3 410 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,0,0,1|1,1,0]=4 411 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [0,2,0,0,0,0|0,1,0]=3 412 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,2,0,0,0,0|1,0,0]=3 413 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [0,2,0,0,0,0|1,1,0]=4 414 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,2,0,0,0,0|2,0,0]=4 415 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,2,0,0,0,0|2,0,0]=4 416 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,2,0,0,0,0|1,0,0]=3 417 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,2,0,0,0,0|0,1,0]=3 418 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [0,2,0,0,0,0|2,0,0]=4 419 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [0,2,0,0,0,0|2,0,0]=4 420 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,2,0,0,0,0|0,1,0]=3 421 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,2,0,0,0,0|1,1,0]=4 422 B12R2.18 CC1=C(C2=CC=CN=C2N1)I PHB00180 [0,2,0,0,0,0|2,0,0]=4 423 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,2,0,0,0,0|1,1,0]=4 424 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,2,0,0,0,0|1,1,0]=4 425 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,2,0,0,0,0|1,1,0]=4 426 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,2,0,0,0,0|2,0,0]=4 427 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,2,0,0,0,0|2,0,0]=4 428 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,2,0,0,0,0|1,0,0]=3 429 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,2,0,0,0,0|2,0,0]=4 430 B12R2.18 CN1SC2=C(C1=S)C=CC=C2 S875511 [0,2,0,0,0,0|1,1,0]=4 431 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,2,0,0,0,0|1,1,0]=4 432 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,2,0,0,0,0|1,0,1]=4 433 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,2,0,0,0,0|1,0,1]=4 434 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,2,0,0,0,0|1,0,1]=4 435 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,2,0,0,0,0|1,0,1]=4 436 B12R2.132 BrC1=CNC2=NC=C(C=C12)I ADE000897 [0,2,0,0,0,0|2,0,0]=4 437 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,2,0,0,0,0|2,0,0]=4 438 B12R2.132 CC1=CN=C2NC=C(C2=C1)I ADE000940 [0,2,0,0,0,0|2,0,0]=4 439 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,2,0,0,0,0|1,0,0]=3 440 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,2,0,0,0,0|0,1,0]=3 441 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,2,0,0,0,0|1,0,0]=3 442 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [0,2,0,0,0,0|2,0,0]=4 443 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [0,2,0,0,0,0|2,0,0]=4 444 B12R2.132 CN1N=CC2=CC=C(C=C12)N CDS009694 [0,2,0,0,0,0|2,0,0]=4 445 B12R2.132 ClC1=CC=C2NC=C(C2=N1)I ADE001376 [0,2,0,0,0,0|2,0,0]=4 446 B12R2.132 ClC1=CN2C(=CN=C2C=C1)Br ANV00107 [0,2,0,0,0,0|2,0,0]=4 447 B12R2.132 ClC1=CN=C2NC=C(C2=C1)I ADE000899 [0,2,0,0,0,0|2,0,0]=4 448 B12R2.132 FC1=CN=C2NC=C(C2=C1)I ADE000905 [0,2,0,0,0,0|2,0,0]=4 449 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,2,0,0,0,0|2,0,0]=4 450 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,2,0,0,0,0|1,0,1]=4 451 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,2,0,0,0,0|1,1,0]=4 452 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [0,2,0,0,0,0|2,0,0]=4 453 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,2,0,0,0,0|1,0,0]=3 454 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,2,0,0,0,0|1,0,0]=3 455 B12R2.196 CN1C=CC2=C(C=CN=C12)Cl CDS023532 [0,2,0,0,0,0|2,0,0]=4 456 B12R2.196 FC1=C2NN=C(C2=CC=C1)Br CDS023948 [0,2,0,0,0,0|2,0,0]=4 457 B12R2.196 NC1=CC=CN2C1=NC=C2Br CDS024219 [0,2,0,0,0,0|2,0,0]=4 458 B12R2.196 NC1=NNC2=C(C=CC=C12)Br CDS023799 [0,2,0,0,0,0|2,0,0]=4 459 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [0,2,0,0,0,0|1,0,0]=3 460 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,2,0,0,0,0|1,0,1]=4 461 B12R2.203 CC1=CN=C2N1C(=CC=C2)N SYX00144 [0,2,0,0,0,0|2,0,0]=4 462 B12R2.203 CN1N=CC2=CC=CC(=C12)Br SYX00127 [0,2,0,0,0,0|2,0,0]=4 463 B12R2.203 ClC1=C2C(=CNC2=CC=N1)I ADE001313 [0,2,0,0,0,0|2,0,0]=4 464 B12R2.203 ClC1=C2C(=CNC2=NC=C1)Br SYX00215 [0,2,0,0,0,0|2,0,0]=4 465 B12R2.203 ClC1=C2C(=CNC2=NC=C1)I ADE000946 [0,2,0,0,0,0|2,0,0]=4 466 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,2,0,0,0,0|1,0,1]=4 467 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [0,2,0,0,0,0|2,0,0]=4 468 B12R2.203 OC1=NOC2=C1C(=CC=C2)F CDS021320 [0,2,0,0,0,0|1,0,0]=3 469 B12R2.612 BrC1=CN=C2C(=CNC2=C1)I ADE000951 [0,2,0,0,0,0|2,0,0]=4 470 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [0,2,0,0,0,0|2,0,0]=4 471 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,2,0,0,0,0|1,0,0]=3 472 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,2,0,0,0,0|1,0,0]=3 473 B12R2.612 CN1C=CC2=CC(=CN=C12)O ADE000927 [0,2,0,0,0,0|2,0,0]=4 474 B12R2.612 CN1C=NC2=CC(=CC=C12)Br CDS023161 [0,2,0,0,0,0|2,0,0]=4 475 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,2,0,0,0,0|2,0,0]=4 476 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,2,0,0,0,0|1,0,0]=3 477 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,2,0,0,0,0|1,0,1]=4 478 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,2,0,0,0,0|2,0,0]=4 479 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,2,0,0,0,0|2,0,0]=4 480 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,2,0,0,0,0|1,0,0]=3 481 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,2,0,0,0,0|1,0,0]=3 482 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,2,0,0,0,0|2,0,0]=4 483 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,2,0,0,0,0|1,1,0]=4 484 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,2,0,0,0,0|2,0,0]=4 485 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,2,0,0,0,0|2,0,0]=4 486 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [0,2,0,0,0,0|0,1,0]=3 487 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [0,2,0,0,0,0|0,1,0]=3 488 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 S617024 [0,2,0,0,0,0|1,0,0]=3 489 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,2,0,0,0,0|2,0,0]=4 490 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,2,0,0,0,0|1,0,0]=3 491 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,2,0,0,0,0|2,0,0]=4 492 B12R2.32 ClCC1=CN2C=CC=CC2=N1 T328316 [0,2,0,0,0,0|2,0,0]=4 493 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [0,2,0,0,0,0|2,0,0]=4 494 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [0,2,0,0,0,0|1,0,0]=3 495 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [0,2,0,0,0,0|0,0,0]=2 496 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [0,2,0,0,0,0|1,0,0]=3 497 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,2,0,0,0,0|1,0,0]=3 498 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [0,2,0,0,0,0|0,1,0]=3 499 B12R2.32 NCC1=CN2C=CC=CC2=N1 CBR00989 [0,2,0,0,0,0|2,0,0]=4 500 B12R2.32 NCC1=NC2=CC=CC=C2S1 CBR00935 [0,2,0,0,0,0|1,1,0]=4 501 B12R2.32 NSC1=NC2=C(S1)C=CC=C2 S492205 [0,2,0,0,0,0|1,1,0]=4 502 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,2,0,0,0,0|2,0,0]=4 503 B12R2.32 OCC1=CC2=NC=CC=C2O1 ADE001139 [0,2,0,0,0,0|1,0,0]=3 504 B12R2.32 OCC1=CN2C=CC=CC2=N1 CDS017742 [0,2,0,0,0,0|2,0,0]=4 505 B12R2.32 OCC1=CN2C=CC=CC2=N1 SYX00380 [0,2,0,0,0,0|2,0,0]=4 506 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 CDS006337 [0,2,0,0,0,0|1,1,0]=4 507 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [0,2,0,0,0,0|2,0,0]=4 508 B12R2.32 [C-]#CC1=NC2=C(S1)C=CC=C2 S887560 [0,2,0,0,0,0|1,1,0]=4 509 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,2,0,0,0,0|0,0,0]=2 510 B12R2.202 CC1=CN2C(=CC=CC2=N1)N CBR02342 [0,2,0,0,0,0|2,0,0]=4 511 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,2,0,0,0,0|1,0,0]=3 512 B12R2.202 CN1C=C2C(=CC=CC2=N1)Br SYX00128 [0,2,0,0,0,0|2,0,0]=4 513 B12R2.202 CN1C=C2C=CC=C(C2=N1)Br SYX00129 [0,2,0,0,0,0|2,0,0]=4 514 B12R2.202 ClC1=CC=CC2=C1N=C(S2)Cl R439088 [0,2,0,0,0,0|1,1,0]=4 515 B12R2.202 ClC1=CC=NC2=C1C=C(N2)I CVT00093 [0,2,0,0,0,0|2,0,0]=4 516 B12R2.202 FC1=C2N=C(SC2=CC=C1)S ANV00208 [0,2,0,0,0,0|1,1,0]=4 517 B12R2.202 FC1=CC=CC2=C1SC(=N2)S ANV00148 [0,2,0,0,0,0|1,1,0]=4 518 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,2,0,0,0,0|1,0,0]=3 519 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,2,0,0,0,0|1,1,0]=4 520 B12R2.202 NC1=NC2=C(S1)C=CC=C2Br CDS022134 [0,2,0,0,0,0|1,1,0]=4 521 B12R2.202 NC1=NC2=C(S1)C=CC=C2Cl S429481 [0,2,0,0,0,0|1,1,0]=4 522 B12R2.202 NC1=NC2=C(S1)C=CC=C2F CDS006997 [0,2,0,0,0,0|1,1,0]=4 523 B12R2.202 NC1=NC2=C(S1)C=CC=C2I CDS023501 [0,2,0,0,0,0|1,1,0]=4 524 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,2,0,0,0,0|1,0,0]=3 525 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,2,0,0,0,0|1,0,1]=4 526 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,2,0,0,0,0|1,1,0]=4 527 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [0,2,0,0,0,0|1,1,0]=4 528 B12R2.202 SC1=NC2=C(S1)C(=CC=C2)Cl ANV00145 [0,2,0,0,0,0|1,1,0]=4 529 B12R2.606 BrC1=CC=C2N=C(SC2=C1)Br JRD0228 [0,2,0,0,0,0|1,1,0]=4 530 B12R2.606 BrC1=CN=C2C=C(OC2=C1)I ADE001171 [0,2,0,0,0,0|1,0,0]=3 531 B12R2.606 BrC1=CN=C2NC(=CC2=C1)I ADE001093 [0,2,0,0,0,0|2,0,0]=4 532 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,2,0,0,0,0|1,1,0]=4 533 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,2,0,0,0,0|1,1,0]=4 534 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,2,0,0,0,0|1,0,0]=3 535 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,2,0,0,0,0|1,1,0]=4 536 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,2,0,0,0,0|0,0,0]=2 537 B12R2.606 CC1=CC2=CC(=CN=C2N1)Br ADE001092 [0,2,0,0,0,0|2,0,0]=4 538 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,2,0,0,0,0|1,0,0]=3 539 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [0,2,0,0,0,0|2,0,0]=4 540 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,2,0,0,0,0|2,0,0]=4 541 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,2,0,0,0,0|1,0,0]=3 542 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,2,0,0,0,0|2,0,0]=4 543 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,2,0,0,0,0|1,0,0]=3 544 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,2,0,0,0,0|2,0,0]=4 545 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,2,0,0,0,0|1,0,0]=3 546 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,2,0,0,0,0|1,1,0]=4 547 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,2,0,0,0,0|1,1,0]=4 548 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,2,0,0,0,0|0,0,2]=4 549 B12R2.606 CN1C=C2C=CC(=CC2=N1)Br BML00257 [0,2,0,0,0,0|2,0,0]=4 550 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,2,0,0,0,0|1,0,0]=3 551 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [0,2,0,0,0,0|2,0,0]=4 552 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [0,2,0,0,0,0|2,0,0]=4 553 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,2,0,0,0,0|2,0,0]=4 554 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,2,0,0,0,0|2,0,0]=4 555 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,2,0,0,0,0|2,0,0]=4 556 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [0,2,0,0,0,0|1,1,0]=4 557 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [0,2,0,0,0,0|2,0,0]=4 558 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [0,2,0,0,0,0|2,0,0]=4 559 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br S139688 [0,2,0,0,0,0|1,1,0]=4 560 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl S940143 [0,2,0,0,0,0|1,1,0]=4 561 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,2,0,0,0,0|1,1,0]=4 562 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [0,2,0,0,0,0|1,1,0]=4 563 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,2,0,0,0,0|1,0,1]=4 564 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,2,0,0,0,0|1,0,0]=3 565 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,2,0,0,0,0|1,0,0]=3 566 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,2,0,0,0,0|1,1,0]=4 567 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,2,0,0,0,0|2,0,0]=4 568 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,2,0,0,0,0|2,0,0]=4 569 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,2,0,0,0,0|1,0,0]=3 570 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,2,0,0,0,0|2,0,0]=4 571 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,2,0,0,0,0|2,0,0]=4 572 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [0,2,0,0,0,0|1,1,0]=4 573 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [0,2,0,0,0,0|2,0,0]=4 574 B12R2.44 BrCC1=CC=C2C=NNC2=C1 CVT00142 [0,2,0,0,0,0|2,0,0]=4 575 B12R2.44 C#CC1=CN=C2C=COC2=C1 ADE001193 [0,2,0,0,0,0|1,0,0]=3 576 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,2,0,0,0,0|0,0,0]=2 577 B12R2.44 C(=O)C1=CN2C=CN=C2C=C1 CDS016444 [0,2,0,0,0,0|2,0,0]=4 578 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,2,0,0,0,0|1,0,1]=4 579 B12R2.44 COC1=CN=C2NC=CC2=C1 ADE000892 [0,2,0,0,0,0|2,0,0]=4 580 B12R2.44 ClCC1=CN=C2NC=CC2=C1 ADE000894 [0,2,0,0,0,0|2,0,0]=4 581 B12R2.44 N#CC1=CC2=C(C=C1)NC=N2 JRD0289 [0,2,0,0,0,0|2,0,0]=4 582 B12R2.44 N#CC1=CC=C2NC=CC2=N1 ADE000997 [0,2,0,0,0,0|2,0,0]=4 583 B12R2.44 N#CC1=CN=C2C=CNC2=C1 ADE000948 [0,2,0,0,0,0|2,0,0]=4 584 B12R2.44 N#CC1=CN=C2C=COC2=C1 ADE001140 [0,2,0,0,0,0|1,0,0]=3 585 B12R2.44 N#CC1=CN=C2NC=CC2=C1 ADE000896 [0,2,0,0,0,0|2,0,0]=4 586 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,2,0,0,0,0|0,0,0]=2 587 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,2,0,0,0,0|0,1,0]=3 588 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,2,0,0,0,0|1,0,0]=3 589 B12R2.44 NCC1=CC=C2NN=CC2=C1 CDS010163 [0,2,0,0,0,0|2,0,0]=4 590 B12R2.44 NNC1=CC=C2OCOC2=C1 CBR00760 [0,2,0,0,0,0|1,0,1]=4 591 B12R2.44 O=CC1=CN=C2C=CNC2=C1 ADE000961 [0,2,0,0,0,0|2,0,0]=4 592 B12R2.44 O=CC1=CN=C2C=COC2=C1 ADE001143 [0,2,0,0,0,0|1,0,0]=3 593 B12R2.44 O=CC1=CN=C2NC=CC2=C1 ADE000887 [0,2,0,0,0,0|2,0,0]=4 594 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,2,0,0,0,0|1,0,0]=3 595 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,2,0,0,0,0|0,0,2]=4 596 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,2,0,0,0,0|0,1,0]=3 597 B12R2.44 OCC1=CC=C2C=CNC2=N1 ADE001337 [0,2,0,0,0,0|2,0,0]=4 598 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [0,2,0,0,0,0|2,0,0]=4 599 B12R2.44 OCC1=CC=C2NC=NC2=C1 CDS015837 [0,2,0,0,0,0|2,0,0]=4 600 B12R2.44 OCC1=CN2C=CN=C2C=C1 CDS018509 [0,2,0,0,0,0|2,0,0]=4 601 B12R2.44 OCC1=CN=C2C=CNC2=C1 ADE000963 [0,2,0,0,0,0|2,0,0]=4 602 B12R2.44 OCC1=CN=C2NC=CC2=C1 ADE000893 [0,2,0,0,0,0|2,0,0]=4 603 B12R2.82 CC1=C2C=CNC2=NC=C1Cl ADE000993 [0,2,0,0,0,0|2,0,0]=4 604 B12R2.82 CC1=C2C=CNC2=NC=C1F ADE001062 [0,2,0,0,0,0|2,0,0]=4 605 B12R2.82 CC1=CN=C2NC=CC2=C1Cl ADE000979 [0,2,0,0,0,0|2,0,0]=4 606 B12R2.82 ClC1=C(C2=C(N=C1)NC=C2)I ADE000989 [0,2,0,0,0,0|2,0,0]=4 607 B12R2.82 ClC1=C2C=CNC2=NC=C1Br CVT00115 [0,2,0,0,0,0|2,0,0]=4 608 B12R2.82 ClC1=C2C=CNC2=NC=C1I ADE000983 [0,2,0,0,0,0|2,0,0]=4 609 B12R2.82 ClC1=CN=C2NC=CC2=C1Cl ADE001014 [0,2,0,0,0,0|2,0,0]=4 610 B12R2.82 FC1=CN=C2NC=CC2=C1Cl ADE001015 [0,2,0,0,0,0|2,0,0]=4 611 B12R2.82 FC1=CN=C2NC=CC2=C1I ADE000982 [0,2,0,0,0,0|2,0,0]=4 612 B12R2.82 NC1=C2C=CNC2=NC=C1Cl ADE001007 [0,2,0,0,0,0|2,0,0]=4 613 B12R2.82 OC1=C(C2=C(N=C1)NC=C2)Cl ADE000991 [0,2,0,0,0,0|2,0,0]=4 614 B12R2.82 OC1=C2C=CNC2=NC=C1Cl ADE000990 [0,2,0,0,0,0|2,0,0]=4 615 B12R2.82 OC1=C2C=CNC2=NC=C1F ADE001023 [0,2,0,0,0,0|2,0,0]=4 616 B12R2.100 BrC1=CC2=C(C=C1Br)OCO2 S53598 [0,2,0,0,0,0|1,0,1]=4 617 B12R2.100 BrC1=CC2=C(C=C1I)OCO2 S57569 [0,2,0,0,0,0|1,0,1]=4 618 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [0,2,0,0,0,0|2,0,0]=4 619 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [0,2,0,0,0,0|2,0,0]=4 620 B12R2.100 ClC1=C(N=C2NC=CC2=C1)I ADE001094 [0,2,0,0,0,0|2,0,0]=4 621 B12R2.100 FC1=C(C=C2N=CNC2=C1)Br CDS023617 [0,2,0,0,0,0|2,0,0]=4 622 B12R2.100 FC1=C(N=C2NC=CC2=C1)I ADE001071 [0,2,0,0,0,0|2,0,0]=4 623 B12R2.100 N1C=NC2=C1C=C(C(=C2)Cl)C S274585 [0,2,0,0,0,0|2,0,0]=4 624 B12R2.100 NC1=C(C=C2OCOC2=C1)Cl PH009814 [0,2,0,0,0,0|1,0,1]=4 625 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 CDS020200 [0,2,0,0,0,0|2,0,0]=4 626 B12R2.100 OC1=C(C=C2C=CNC2=N1)Cl ADE001308 [0,2,0,0,0,0|2,0,0]=4 627 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,2,0,0,0,0|1,0,0]=3 628 B12R2.246 BrC1=CN2C=CN=C2C(=C1)I ADE001431 [0,2,0,0,0,0|2,0,0]=4 629 B12R2.246 CC1=CC(=CC2=C1C=NN2)Br CDS022566 [0,2,0,0,0,0|2,0,0]=4 630 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [0,2,0,0,0,0|2,0,0]=4 631 B12R2.246 CC1=CC(=CN2C1=NC=C2)Br CBR02032 [0,2,0,0,0,0|2,0,0]=4 632 B12R2.246 CC1=CC2=C(C=CO2)C(=O)O1 T271020 [0,2,0,0,0,0|1,0,0]=3 633 B12R2.246 CC1=CN2C=CN=C2C(=C1)I ADE001436 [0,2,0,0,0,0|2,0,0]=4 634 B12R2.246 ClC1=C2NC=CC2=CC(=N1)Br ADE001027 [0,2,0,0,0,0|2,0,0]=4 635 B12R2.246 ClC1=CC2=C(C=CO2)C(=N1)Cl PH015039 [0,2,0,0,0,0|1,0,0]=3 636 B12R2.246 ClC1=CC2=C(C=NN2)C(=C1)I PHB00098 [0,2,0,0,0,0|2,0,0]=4 637 B12R2.246 FC1=C2C=NNC2=CC(=C1)Br SYX00189 [0,2,0,0,0,0|2,0,0]=4 638 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [0,2,0,0,0,0|1,0,0]=3 639 B12R2.221 CC1=CC=C(C2=C1C=NN2)N CDS016575 [0,2,0,0,0,0|2,0,0]=4 640 B12R2.315 C(=O)C1=C2C=CNC2=NC=C1 CVT00121 [0,2,0,0,0,0|2,0,0]=4 641 B12R2.315 COC1=C2C=CNC2=CN=C1 ADE001011 [0,2,0,0,0,0|2,0,0]=4 642 B12R2.315 COC1=C2C=CNC2=NC=C1 ADE000907 [0,2,0,0,0,0|2,0,0]=4 643 B12R2.315 N#CC1=CC=CC2=C1NC=C2 CDS008484 [0,2,0,0,0,0|1,0,0]=3 644 B12R2.315 N#CC1=NC=CC2=C1C=CN2 ADE000998 [0,2,0,0,0,0|2,0,0]=4 645 B12R2.315 OCC1=CC=CC2=C1C=CN2 CDS004744 [0,2,0,0,0,0|1,0,0]=3 646 B12R2.315 OCC1=CC=CC2=C1NC=C2 CDS008595 [0,2,0,0,0,0|1,0,0]=3 647 B10R2.41 ON1C2=CC=CC1C=C2 T281840 [0,0,1,1,0,0|1,0,1]=4 648 B12R2.41 C1=CNC2=C(C=CC=C2)[NH+]=C1 L162892 [0,0,0,0,0,2|2,0,0]=4