0 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,0,0,0,0,0|0,0,0]=0 1 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,0,0,0|0,0,2]=2 2 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,0,0,0,0,0|0,1,0]=1 3 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,0,0,0,0,0|2,0,1]=3 4 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,0,0,0,0,0|3,0,1]=4 5 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,0,0,0,0,0|2,0,1]=3 6 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,0,0,0,0,0|3,0,1]=4 7 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [0,0,0,0,0,0|3,0,0]=3 8 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,0,0,0,0,0|2,1,0]=3 9 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [0,0,0,0,0,0|2,0,0]=2 10 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,0,0,0,0,0|2,1,1]=4 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|2,0,1]=3 13 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,0,0,0,0,0|3,0,1]=4 14 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [0,0,0,0,0,0|3,0,0]=3 15 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [0,0,0,0,0,0|3,0,0]=3 16 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,0,0,0,0,0|0,0,1]=1 17 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,0,0,0|1,1,0]=3 18 B11R2.1 BrC1=CSC2=CN=CN=C12 SYX00430 [0,1,0,0,0,0|3,0,0]=4 19 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,1,0,0,0,0|2,0,0]=3 20 B11R2.1 CC1=CSC2[NH+]1C=CC=C2 S697168 [0,1,0,0,0,0|2,0,1]=4 21 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,0,0,0|2,0,1]=4 22 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,0,0,0|2,1,0]=4 23 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,1,0,0,0,0|2,0,0]=3 24 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,1,0,0,0,0|0,0,1]=2 25 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,0,0,0|2,1,0]=4 26 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,0,0,0|2,0,0]=3 27 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,0,0,0|2,0,0]=3 28 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,0,0,0|2,0,1]=4 29 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,0,0,0|2,1,0]=4 30 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,0,0,0|1,1,1]=4 31 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,0,0,0|3,0,0]=4 33 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,0,0,0|1,0,1]=3 34 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,1,0,0,0,0|1,0,1]=3 35 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,1,0,0,0,0|2,1,0]=4 36 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,1,0,0,0,0|2,0,0]=3 37 B11R2.10 CC1=N[N+]2=C(S1)N=CC=C2 S42855 [0,1,0,0,0,0|2,0,0]=3 38 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,1,0,0,0,0|1,1,1]=4 39 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,1,0,0,0,0|3,0,0]=4 40 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,1,0,0,0,0|2,0,0]=3 41 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,1,0,0,0,0|1,0,0]=2 42 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,1,0,0,0,0|1,1,1]=4 43 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,1,0,0,0,0|0,1,1]=3 44 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,1,0,0,0,0|0,1,1]=3 45 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,1,0,0,0,0|1,1,0]=3 46 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,1,0,0,0,0|2,0,1]=4 47 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,1,0,0,0,0|0,0,0]=1 48 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [0,1,0,0,0,0|2,0,0]=3 49 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,1,0,0,0,0|0,0,0]=1 50 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [0,1,0,0,0,0|2,0,0]=3 51 B11R2.36 BrC1=CC2=NC=NN2C=C1 SYX00403 [0,1,0,0,0,0|2,0,0]=3 52 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [0,1,0,0,0,0|2,0,0]=3 53 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,1,0,0,0,0|3,0,0]=4 54 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,1,0,0,0,0|2,0,1]=4 55 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,1,0,0,0,0|2,0,1]=4 56 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,1,0,0,0,0|0,1,0]=2 57 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,1,0,0,0,0|0,1,0]=2 58 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,1,0,0,0,0|1,0,0]=2 59 B11R2.36 BrC1=CN2C=NN=C2C=C1 SYX00142 [0,1,0,0,0,0|3,0,0]=4 60 B11R2.36 BrC1=CN2N=CN=C2C=C1 SYX00141 [0,1,0,0,0,0|2,0,0]=3 61 B11R2.36 BrC1=CN2N=CN=C2N=C1 CBR02199 [0,1,0,0,0,0|3,0,0]=4 62 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [0,1,0,0,0,0|2,0,1]=4 63 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,1,0,0,0,0|2,1,0]=4 64 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [0,1,0,0,0,0|2,1,0]=4 65 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [0,1,0,0,0,0|2,0,1]=4 66 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,1,0,0,0,0|2,0,1]=4 67 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,1,0,0,0,0|1,0,2]=4 68 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,1,0,0,0,0|2,0,0]=3 69 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,1,0,0,0,0|2,0,1]=4 70 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [0,1,0,0,0,0|2,0,0]=3 71 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,1,0,0,0,0|2,0,1]=4 72 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,1,0,0,0,0|2,0,1]=4 73 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,1,0,0,0,0|1,0,2]=4 74 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,1,0,0,0,0|2,0,1]=4 75 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,1,0,0,0,0|2,0,1]=4 76 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [0,1,0,0,0,0|1,0,0]=2 77 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,1,0,0,0,0|2,0,1]=4 78 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,1,0,0,0,0|2,0,1]=4 79 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,1,0,0,0,0|2,0,0]=3 80 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [0,1,0,0,0,0|2,0,1]=4 81 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,1,0,0,0,0|2,1,0]=4 82 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [0,1,0,0,0,0|2,0,1]=4 83 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [0,1,0,0,0,0|3,0,0]=4 84 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 CDS021194 [0,1,0,0,0,0|3,0,0]=4 85 B11R2.36 ClC1=NN2C=CN=C2C=C1 CDS005940 [0,1,0,0,0,0|3,0,0]=4 86 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,1,0,0,0,0|1,0,2]=4 87 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,1,0,0,0,0|0,1,0]=2 88 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,1,0,0,0,0|2,0,1]=4 89 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,1,0,0,0,0|1,0,2]=4 90 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,1,0,0,0,0|1,0,0]=2 91 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [0,1,0,0,0,0|2,0,1]=4 92 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,1,0,0,0,0|1,0,2]=4 93 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,0,0,0|1,1,1]=4 94 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,0,0,0|1,1,1]=4 95 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,1,0,0,0,0|1,1,1]=4 96 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [0,1,0,0,0,0|2,0,1]=4 97 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,1,0,0,0,0|2,1,0]=4 98 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [0,1,0,0,0,0|2,0,1]=4 99 B11R2.36 N1C=NC2=C1N=CC(=C2)Br ANV00244 [0,1,0,0,0,0|2,0,0]=3 100 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,1,0,0,0,0|2,0,1]=4 101 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,1,0,0,0,0|1,0,0]=2 102 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,1,0,0,0,0|2,0,0]=3 103 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,0,0,0|0,1,0]=2 104 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,1,0,0,0,0|1,0,2]=4 105 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [0,1,0,0,0,0|2,0,1]=4 106 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,1,0,0,0,0|2,0,1]=4 107 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [0,1,0,0,0,0|2,0,0]=3 108 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,1,0,0,0,0|1,0,0]=2 109 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [0,1,0,0,0,0|2,0,1]=4 110 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,1,0,0,0,0|2,1,0]=4 111 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [0,1,0,0,0,0|2,0,1]=4 112 B11R2.36 OC1=NN2C=CN=C2C=C1 SYX00185 [0,1,0,0,0,0|3,0,0]=4 113 B11R2.106 BrC1=C2NN=NC2=CC=C1 CDS021140 [0,1,0,0,0,0|2,0,0]=3 114 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,1,0,0,0,0|1,1,0]=3 115 B11R2.106 BrC1=CC=CC2=NSN=C12 CDS014873 [0,1,0,0,0,0|2,0,0]=3 116 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [0,1,0,0,0,0|2,0,1]=4 117 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,1,0,0,0,0|2,0,1]=4 118 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,1,0,0,0,0|2,0,1]=4 119 B11R2.106 CC1=CC=CC2=N[Se]N=C12 S30687 [0,1,0,0,0,0|2,0,0]=3 120 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [0,1,0,0,0,0|2,0,1]=4 121 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,1,0,0,0,0|2,0,1]=4 122 B11R2.106 ClC1=CC=CC2=NN=CN12 SYX00172 [0,1,0,0,0,0|3,0,0]=4 123 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [0,1,0,0,0,0|2,0,1]=4 124 B11R2.106 ClC1=NC=CC2=NC=NN12 SYX00162 [0,1,0,0,0,0|3,0,0]=4 125 B11R2.106 ClC1=NC=NC2=C1N=CS2 CDS021287 [0,1,0,0,0,0|2,0,0]=3 126 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [0,1,0,0,0,0|2,0,1]=4 127 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [0,1,0,0,0,0|2,0,1]=4 128 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [0,1,0,0,0,0|2,1,0]=4 129 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [0,1,0,0,0,0|2,0,0]=3 130 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [0,1,0,0,0,0|2,1,0]=4 131 B11R2.106 O=C1NC=NC2=C1C=CS2 JRD0205 [0,1,0,0,0,0|3,0,0]=4 132 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,1,0,0,0,0|2,0,1]=4 133 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,0,0,0|1,0,0]=2 134 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,1,0,0,0,0|0,1,0]=2 135 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,0,0,0|1,0,1]=3 136 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [0,1,0,0,0,0|2,0,0]=3 137 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,1,0,0,0,0|2,1,0]=4 138 B11R2.106 OC1=NC=CC2=NC=NN12 SYX00161 [0,1,0,0,0,0|3,0,0]=4 139 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,0,1,0,0,0|2,1,0]=4 141 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,0,1,0,0,0|1,1,1]=4 142 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,0,1,0,0,0|3,0,0]=4 143 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,0,1,0,0,0|2,0,1]=4 144 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,0,1,0,0,0|3,0,0]=4 145 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,0,1,0,0,0|3,0,0]=4 146 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,0,1,0,0,0|2,0,1]=4 147 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,0,1,0,0,0|1,1,1]=4 148 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,0,1,0,0,0|2,0,1]=4 149 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,0,1,0,0,0|2,0,1]=4 150 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,0,1,0,0,0|2,0,1]=4 151 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [0,0,1,0,0,0|2,0,1]=4 152 B9R1.12 N#C/C=C/C1=CC=CS1 S679046 [0,0,1,0,0,0|2,0,1]=4 153 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,0,1,0,0,0|2,1,0]=4 154 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,0,1,0,0,0|2,0,1]=4 155 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,0,1,0,0,0|3,0,0]=4 156 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,0,1,0,0,0|1,0,2]=4 157 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,0,1,0,0,0|0,1,2]=4 158 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,0,1,0,0,0|2,0,1]=4 159 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,0,1,0,0,0|2,1,0]=4 160 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,0,1,0,0,0|3,0,0]=4 161 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,0,0,1|1,0,0]=2 162 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,0,0,1|1,0,2]=4 163 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,0,0,0,0,1|1,0,1]=3 164 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [0,0,0,0,0,1|2,0,0]=3 165 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [0,0,0,0,0,1|2,0,0]=3 166 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,0,0,1|1,0,0]=2 167 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,0,0,1|0,1,2]=4 168 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [0,0,0,0,0,1|2,0,0]=3 169 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [0,0,0,0,0,1|3,0,0]=4 170 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,0,0,1|1,1,0]=3 171 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,1,0,0,0|2,0,0]=4 172 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,1,0,0,0|1,0,0]=3 173 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,1,0,0,0|1,0,0]=3 174 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,1,0,0,0|1,0,0]=3 175 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,1,0,0,0|2,0,0]=4 176 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,1,0,0,0|0,0,2]=4 177 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,1,0,0,0|0,2,0]=4 178 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,1,0,0,0|1,0,0]=3 179 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,1,0,0,0|0,0,2]=4 180 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,1,0,0,0|0,1,1]=4 181 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,1,1,0,0,0|0,1,1]=4 182 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,1,1,0,0,0|0,1,1]=4 183 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,1,1,0,0,0|1,1,0]=4 184 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,1,1,0,0,0|1,0,1]=4 185 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,1,1,0,0,0|1,0,1]=4 186 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,1,1,0,0,0|2,0,0]=4 187 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,1,1,0,0,0|0,1,1]=4 188 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,1,1,0,0,0|0,1,1]=4 189 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,1,1,0,0,0|0,1,1]=4 190 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,1,1,0,0,0|0,1,1]=4 191 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,1,1,0,0,0|1,0,0]=3 192 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,1,1,0,0,0|1,0,1]=4 193 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,1,1,0,0,0|1,1,0]=4 194 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,1,1,0,0,0|0,1,1]=4 195 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,1,1,0,0,0|1,1,0]=4 196 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,1,1,0,0,0|0,1,1]=4 197 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,1,1,0,0,0|1,0,1]=4 198 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,1,1,0,0,0|1,1,0]=4 199 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,1,1,0,0,0|0,1,1]=4 200 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,1,0,0,0|2,0,0]=4 201 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,1,1,0,0,0|1,0,1]=4 202 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,1,1,0,0,0|1,0,0]=3 203 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,1,1,0,0,0|1,0,1]=4 204 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,1,1,0,0,0|1,0,0]=3 205 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,1,1,0,0,0|0,1,1]=4 206 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,1,1,0,0,0|1,0,0]=3 207 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,1,1,0,0,0|1,0,0]=3 208 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,1,1,0,0,0|1,0,0]=3 209 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,1,1,0,0,0|2,0,0]=4 210 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,1,1,0,0,0|1,0,0]=3 211 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,1,1,0,0,0|1,1,0]=4 212 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,1,1,0,0,0|1,0,1]=4 213 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,1,1,0,0,0|1,0,1]=4 214 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,1,1,0,0,0|2,0,0]=4 215 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,1,1,0,0,0|1,0,1]=4 216 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,1,0,0,0|2,0,0]=4 217 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,1,0,0,0|1,0,1]=4 218 B10R2.2 NC1=NC2=C(S1)SC=C2 CDS024425 [0,1,0,0,1,0|1,0,0]=3 219 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,1,0,0,1,0|1,0,0]=3 220 B12R2.24 BrC1=CC=C2SCCNC2=C1 VBP00120 [0,1,0,0,0,1|0,0,2]=4 221 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,1,0,0,0,1|1,0,0]=3 222 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,1,0,0,0,1|1,0,0]=3 223 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,1,0,0,0,1|2,0,0]=4 224 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,1,0,0,0,1|0,0,0]=2 225 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,1,0,0,0,1|2,0,0]=4 226 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,1,0,0,0,1|1,0,1]=4 227 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,1,0,0,0,1|1,0,0]=3 228 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,1,0,0,0,1|1,0,0]=3 229 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,1,0,0,0,1|1,0,0]=3 230 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,1,0,0,0,1|1,0,0]=3 231 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,1,0,0,0,1|2,0,0]=4 232 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,0,0,1|0,0,1]=3 233 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,1,0,0,0,1|2,0,0]=4 234 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,1,0,0,0,1|1,0,0]=3 235 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,1,0,0,0,1|1,0,0]=3 236 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,1,0,0,0,1|1,0,0]=3 237 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,1,0,0,0,1|2,0,0]=4 238 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,1,0,0,0,1|2,0,0]=4 239 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,1,0,0,0,1|1,0,0]=3 240 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,1,0,0,0,1|1,0,0]=3 241 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,0,0,1|1,0,1]=4 242 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,0,0,1|1,1,0]=4 243 B12R2.24 O=C1CSC2=NC=CC=C2N1 PH011261 [0,1,0,0,0,1|1,0,1]=4 244 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,1,0,0,0,1|1,0,0]=3 245 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,1,0,0,0,1|1,0,0]=3 246 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,1,0,0,0,1|2,0,0]=4 247 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,0,0,1|1,0,1]=4 248 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,0,0,1|0,1,1]=4 249 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,1,0,0,0,1|1,0,1]=4 250 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [0,1,0,0,0,1|2,0,0]=4 251 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,0,0,1|1,0,1]=4 252 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,1,0,0,0,1|1,0,1]=4 253 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,1,0,0,0,1|1,0,0]=3 254 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,1,0,0,0,1|1,0,0]=3 255 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [0,1,0,0,0,1|2,0,0]=4 256 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,1,0,0,0,1|1,0,0]=3 257 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,1,0,0,0,1|1,0,0]=3 258 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,1,0,0,0,1|1,0,0]=3 259 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [0,1,0,0,0,1|1,0,0]=3 260 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,1,0,0,0,1|2,0,0]=4 261 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,1,0,0,0,1|1,0,0]=3 262 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,1,0,0,0,1|1,0,0]=3 263 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,1,0,0,0,1|1,0,0]=3 264 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,0,0,1|1,0,0]=3 265 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,0,0,1|2,0,0]=4 266 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,0,0,1|2,0,0]=4 267 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,1,0,0,0,1|1,0,0]=3 268 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,1,0,0,0,1|1,0,0]=3 269 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,1,0,0,0,1|1,0,0]=3 270 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [0,1,0,0,0,1|1,0,1]=4 271 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,0,0,1|2,0,0]=4 272 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [0,2,0,0,0,0|1,0,0]=3 273 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [0,2,0,0,0,0|0,0,1]=3 274 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,2,0,0,0,0|2,0,0]=4 275 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,2,0,0,0,0|2,0,0]=4 276 B12R2.1 N#CN1N=NC2=C1C=CC=C2 R426598 [0,2,0,0,0,0|2,0,0]=4 277 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,2,0,0,0,0|1,0,1]=4 278 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,2,0,0,0,0|1,0,0]=3 279 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,2,0,0,0,0|1,0,0]=3 280 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,2,0,0,0,0|0,0,1]=3 281 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,2,0,0,0,0|0,0,1]=3 282 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,2,0,0,0,0|0,0,1]=3 283 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,2,0,0,0,0|0,0,1]=3 284 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,2,0,0,0,0|1,0,0]=3 285 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,2,0,0,0,0|1,0,1]=4 286 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,2,0,0,0,0|0,1,1]=4 287 B12R2.18 CN1SC2=C(C1=S)C=CC=C2 S875511 [0,2,0,0,0,0|2,0,0]=4 288 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,2,0,0,0,0|0,0,1]=3 289 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,2,0,0,0,0|1,0,1]=4 290 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,2,0,0,0,0|1,0,1]=4 291 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,2,0,0,0,0|1,0,1]=4 292 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,2,0,0,0,0|1,0,1]=4 293 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,2,0,0,0,0|1,0,1]=4 294 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,2,0,0,0,0|1,0,0]=3 295 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [0,2,0,0,0,0|1,0,0]=3 296 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [0,2,0,0,0,0|1,0,0]=3 297 B12R2.132 ClC1=CN2C(=CN=C2C=C1)Br ANV00107 [0,2,0,0,0,0|2,0,0]=4 298 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,2,0,0,0,0|2,0,0]=4 299 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,2,0,0,0,0|1,0,1]=4 300 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,2,0,0,0,0|1,0,1]=4 301 B12R2.196 CN1N=NC2=C(C=CC=C12)N CBR01759 [0,2,0,0,0,0|2,0,0]=4 302 B12R2.196 NC1=CC=CN2C1=NC=C2Br CDS024219 [0,2,0,0,0,0|2,0,0]=4 303 B12R2.203 CC1=CN=C2N1C(=CC=C2)N SYX00144 [0,2,0,0,0,0|2,0,0]=4 304 B12R2.203 CN1C=NC2=CN=CC(=C12)Br ADE001224 [0,2,0,0,0,0|2,0,0]=4 305 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,2,0,0,0,0|1,0,1]=4 306 B12R2.612 CN1C=NC2=CC(=CC=C12)Br CDS023161 [0,2,0,0,0,0|1,0,0]=3 307 B12R2.612 CN1C=NC2=CC(=CN=C12)Br ADE001214 [0,2,0,0,0,0|2,0,0]=4 308 B12R2.612 CN1C=NC2=CC(=CN=C12)Cl ADE001227 [0,2,0,0,0,0|2,0,0]=4 309 B12R2.612 CN1C=NC2=CC(=CN=C12)I ADE001215 [0,2,0,0,0,0|2,0,0]=4 310 B12R2.612 CN1C=NC2=CC(=CN=C12)N ADE001231 [0,2,0,0,0,0|2,0,0]=4 311 B12R2.612 CN1C=NC2=CC(=CN=C12)O ADE001223 [0,2,0,0,0,0|2,0,0]=4 312 B12R2.612 CN1N=NC2=C1C=CC(=C2)N CBR01799 [0,2,0,0,0,0|2,0,0]=4 313 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,2,0,0,0,0|1,0,1]=4 314 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [0,2,0,0,0,0|1,0,1]=4 315 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [0,2,0,0,0,0|1,0,1]=4 316 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,2,0,0,0,0|1,0,0]=3 317 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,2,0,0,0,0|0,1,0]=3 318 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,2,0,0,0,0|1,0,0]=3 319 B12R2.32 ClCC1=CN2C=CC=CC2=N1 T328316 [0,2,0,0,0,0|2,0,0]=4 320 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [0,2,0,0,0,0|1,0,0]=3 321 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [0,2,0,0,0,0|0,1,0]=3 322 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [0,2,0,0,0,0|1,1,0]=4 323 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [0,2,0,0,0,0|0,1,0]=3 324 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,2,0,0,0,0|1,0,1]=4 325 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [0,2,0,0,0,0|1,0,0]=3 326 B12R2.32 NCC1=CN2C=CC=CC2=N1 CBR00989 [0,2,0,0,0,0|2,0,0]=4 327 B12R2.32 NCC1=NC2=CC=CC=C2S1 CBR00935 [0,2,0,0,0,0|0,0,0]=2 328 B12R2.32 NCC1=NC2=NC=CC=C2N1 CDS019145 [0,2,0,0,0,0|2,0,0]=4 329 B12R2.32 NSC1=NC2=C(S1)C=CC=C2 S492205 [0,2,0,0,0,0|0,0,0]=2 330 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,2,0,0,0,0|1,0,0]=3 331 B12R2.32 OCC1=CN2C=CC=CC2=N1 CDS017742 [0,2,0,0,0,0|2,0,0]=4 332 B12R2.32 OCC1=CN2C=CC=CC2=N1 SYX00380 [0,2,0,0,0,0|2,0,0]=4 333 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 CDS006337 [0,2,0,0,0,0|0,0,0]=2 334 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [0,2,0,0,0,0|1,0,0]=3 335 B12R2.32 [C-]#CC1=NC2=C(S1)C=CC=C2 S887560 [0,2,0,0,0,0|0,0,0]=2 336 B12R2.95 CC1(NC2=C(S1)C=CC=C2)C S435333 [0,2,0,0,0,0|0,0,2]=4 337 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,2,0,0,0,0|1,1,0]=4 338 B12R2.202 CC1=CN2C(=CC=CC2=N1)N CBR02342 [0,2,0,0,0,0|2,0,0]=4 339 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,2,0,0,0,0|0,1,0]=3 340 B12R2.202 CN1C=C2C(=CC=CC2=N1)Br SYX00128 [0,2,0,0,0,0|2,0,0]=4 341 B12R2.202 CN1C=C2C=CC=C(C2=N1)Br SYX00129 [0,2,0,0,0,0|2,0,0]=4 342 B12R2.202 CN1N=C2C=CC=C(C2=N1)N CBR01757 [0,2,0,0,0,0|2,0,0]=4 343 B12R2.202 ClC1=CC=CC2=C1N=C(S2)Cl R439088 [0,2,0,0,0,0|0,0,0]=2 344 B12R2.202 FC1=C2N=C(SC2=CC=C1)S ANV00208 [0,2,0,0,0,0|0,0,0]=2 345 B12R2.202 FC1=CC=CC2=C1SC(=N2)S ANV00148 [0,2,0,0,0,0|0,0,0]=2 346 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,2,0,0,0,0|0,1,1]=4 347 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,2,0,0,0,0|0,0,0]=2 348 B12R2.202 NC1=NC2=C(S1)C=CC=C2Br CDS022134 [0,2,0,0,0,0|0,0,0]=2 349 B12R2.202 NC1=NC2=C(S1)C=CC=C2Cl S429481 [0,2,0,0,0,0|0,0,0]=2 350 B12R2.202 NC1=NC2=C(S1)C=CC=C2F CDS006997 [0,2,0,0,0,0|0,0,0]=2 351 B12R2.202 NC1=NC2=C(S1)C=CC=C2I CDS023501 [0,2,0,0,0,0|0,0,0]=2 352 B12R2.202 NC1=NN2C(=CC=CC2=N1)Br SYX00257 [0,2,0,0,0,0|2,0,0]=4 353 B12R2.202 NC1=NN2C=CC=C(C2=N1)Br SYX00251 [0,2,0,0,0,0|2,0,0]=4 354 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,2,0,0,0,0|1,0,0]=3 355 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,2,0,0,0,0|1,0,1]=4 356 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,2,0,0,0,0|0,0,1]=3 357 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [0,2,0,0,0,0|0,0,0]=2 358 B12R2.202 SC1=NC2=C(S1)C(=CC=C2)Cl ANV00145 [0,2,0,0,0,0|0,0,0]=2 359 B12R2.606 BrC1=CC=C2N=C(SC2=C1)Br JRD0228 [0,2,0,0,0,0|0,0,0]=2 360 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,2,0,0,0,0|0,0,0]=2 361 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,2,0,0,0,0|0,0,0]=2 362 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,2,0,0,0,0|0,1,1]=4 363 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,2,0,0,0,0|0,1,0]=3 364 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,2,0,0,0,0|1,1,0]=4 365 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,2,0,0,0,0|1,0,1]=4 366 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [0,2,0,0,0,0|2,0,0]=4 367 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,2,0,0,0,0|1,0,0]=3 368 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,2,0,0,0,0|0,1,0]=3 369 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,2,0,0,0,0|1,0,0]=3 370 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,2,0,0,0,0|0,1,0]=3 371 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,2,0,0,0,0|1,0,0]=3 372 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,2,0,0,0,0|0,1,0]=3 373 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,2,0,0,0,0|0,0,0]=2 374 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,2,0,0,0,0|0,0,0]=2 375 B12R2.606 CN1C=C2C=CC(=CC2=N1)Br BML00257 [0,2,0,0,0,0|2,0,0]=4 376 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,2,0,0,0,0|0,1,0]=3 377 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [0,2,0,0,0,0|1,0,1]=4 378 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [0,2,0,0,0,0|1,0,0]=3 379 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,2,0,0,0,0|1,0,0]=3 380 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,2,0,0,0,0|1,0,0]=3 381 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,2,0,0,0,0|1,0,1]=4 382 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [0,2,0,0,0,0|0,0,1]=3 383 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [0,2,0,0,0,0|1,0,0]=3 384 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [0,2,0,0,0,0|1,0,0]=3 385 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br S139688 [0,2,0,0,0,0|0,0,0]=2 386 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl S940143 [0,2,0,0,0,0|0,0,0]=2 387 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,2,0,0,0,0|0,0,0]=2 388 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [0,2,0,0,0,0|0,0,0]=2 389 B12R2.606 NC1=NN2C=C(C=CC2=N1)Br SYX00250 [0,2,0,0,0,0|2,0,0]=4 390 B12R2.606 NC1=NN2C=CC(=CC2=N1)Br SYX00258 [0,2,0,0,0,0|2,0,0]=4 391 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,2,0,0,0,0|1,0,1]=4 392 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,2,0,0,0,0|0,1,1]=4 393 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,2,0,0,0,0|0,1,1]=4 394 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,2,0,0,0,0|0,0,1]=3 395 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,2,0,0,0,0|1,0,1]=4 396 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,2,0,0,0,0|1,0,0]=3 397 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,2,0,0,0,0|1,0,0]=3 398 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,2,0,0,0,0|1,0,0]=3 399 B12R2.606 OC1=NC2=CC(=CN=C2N1)Br ADE001244 [0,2,0,0,0,0|2,0,0]=4 400 B12R2.606 OC1=NC2=NC=C(C=C2N1)Br T316016 [0,2,0,0,0,0|2,0,0]=4 401 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [0,2,0,0,0,0|0,0,1]=3 402 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [0,2,0,0,0,0|1,0,0]=3 403 B12R2.44 BrCC1=CC2=NSN=C2C=C1 CDS021526 [0,2,0,0,0,0|2,0,0]=4 404 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,2,0,0,0,0|1,1,0]=4 405 B12R2.44 C(=O)C1=CN2C=CN=C2C=C1 CDS016444 [0,2,0,0,0,0|2,0,0]=4 406 B12R2.44 N#CC1=CC2=C(C=C1)NC=N2 JRD0289 [0,2,0,0,0,0|1,0,0]=3 407 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,2,0,0,0,0|1,1,0]=4 408 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,2,0,0,0,0|1,0,0]=3 409 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,2,0,0,0,0|1,0,1]=4 410 B12R2.44 NCC1=CC2=NSN=C2C=C1 CBR02294 [0,2,0,0,0,0|2,0,0]=4 411 B12R2.44 O=CC1=CC2=NON=C2C=C1 CDS016203 [0,2,0,0,0,0|2,0,0]=4 412 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,2,0,0,0,0|1,0,1]=4 413 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,2,0,0,0,0|1,0,0]=3 414 B12R2.44 OCC1=CC2=NSN=C2C=C1 CDS017023 [0,2,0,0,0,0|2,0,0]=4 415 B12R2.44 OCC1=CC=C2NC=NC2=C1 CDS015837 [0,2,0,0,0,0|1,0,0]=3 416 B12R2.44 OCC1=CN2C=CN=C2C=C1 CDS018509 [0,2,0,0,0,0|2,0,0]=4 417 B12R2.82 CC1=C(C2=NSN=C2C=C1)N CBR01504 [0,2,0,0,0,0|2,0,0]=4 418 B12R2.82 CC1=C(C=CC2=NC=NN12)Br SYX00182 [0,2,0,0,0,0|2,0,0]=4 419 B12R2.82 NC1=C(C=CC2=NSN=C12)Cl CDS000033 [0,2,0,0,0,0|2,0,0]=4 420 B12R2.100 BrC1=C(C=C2NN=NC2=C1)Br R229741 [0,2,0,0,0,0|2,0,0]=4 421 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S30709 [0,2,0,0,0,0|2,0,0]=4 422 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S435325 [0,2,0,0,0,0|2,0,0]=4 423 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [0,2,0,0,0,0|1,0,0]=3 424 B12R2.100 ClC1=CC2=C(C=C1Cl)SN=N2 S945153 [0,2,0,0,0,0|1,0,0]=3 425 B12R2.100 FC1=C(C=C2N=CNC2=C1)Br CDS023617 [0,2,0,0,0,0|1,0,0]=3 426 B12R2.100 N1C=NC2=C1C=C(C(=C2)Cl)C S274585 [0,2,0,0,0,0|1,0,0]=3 427 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,2,0,0,0,0|1,0,1]=4 428 B12R2.246 BrC1=CN2C=CN=C2C(=C1)I ADE001431 [0,2,0,0,0,0|2,0,0]=4 429 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [0,2,0,0,0,0|1,0,0]=3 430 B12R2.246 CC1=CC(=CN2C1=NC=C2)Br CBR02032 [0,2,0,0,0,0|2,0,0]=4 431 B12R2.246 CC1=CC(=CN2C1=NC=N2)Br SYX00183 [0,2,0,0,0,0|2,0,0]=4 432 B12R2.246 CC1=CC(=NC2=[N+]1N=CS2)C R607029 [0,2,0,0,0,0|2,0,0]=4 433 B12R2.246 CC1=CC(=NC2=[N+]1N=CS2)C S33031 [0,2,0,0,0,0|2,0,0]=4 434 B12R2.246 CC1=CN2C=CN=C2C(=C1)I ADE001436 [0,2,0,0,0,0|2,0,0]=4 435 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [0,2,0,0,0,0|1,0,1]=4 436 B12R2.315 BrCC1=CC=CC2=NON=C12 CDS014875 [0,2,0,0,0,0|2,0,0]=4 437 B12R2.315 N#CC1=CC=CC2=C1NC=C2 CDS008484 [0,2,0,0,0,0|1,0,1]=4 438 B12R2.315 O=CC1=CC=CC2=NON=C12 PH009918 [0,2,0,0,0,0|2,0,0]=4 439 B12R2.315 OCC1=CC=CC2=C1C=CN2 CDS004744 [0,2,0,0,0,0|1,0,1]=4 440 B12R2.315 OCC1=CC=CC2=C1NC=C2 CDS008595 [0,2,0,0,0,0|1,0,1]=4