0 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [1,0,0,0,0,0|2,1,0]=4 1 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.100 ClC1=CC2=C(C=C1Cl)SN=N2 S945153 [1,0,0,0,0,0|1,1,0]=3 3 B12R2.100 NC1=C(C=C2OCOC2=C1)Cl PH009814 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 CDS020200 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [1,0,0,0,0,0|1,1,0]=3 7 B12R2.132 ClC1=CC2=C(C=N1)NN=C2Br BLN00031 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.132 ClC1=CC2=C(C=N1)NN=C2I BLN00034 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.132 ClC1=CC2=C(N=C1)NN=C2Br BLN00036 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.132 ClC1=CC=C2NN=C(C2=N1)Br BLN00024 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.132 ClC1=CN=C2NN=C(C2=C1)I BLN00052 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [1,0,0,0,0,0|0,1,2]=4 13 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [1,0,0,0,0,0|1,1,0]=3 14 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [1,0,0,0,0,0|2,1,0]=4 15 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [1,0,0,0,0,0|1,1,0]=3 16 B12R2.612 ClC1=CN=C2C(=C1)NN=C2Br BLN00023 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.612 ClC1=NC=C2C(=C1)NN=C2I BLN00030 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [1,0,0,0,0,0|1,1,0]=3 19 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [1,0,0,0,0,0|1,1,0]=3 20 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [1,0,0,0,0,0|0,0,0]=1 21 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,0,1,0,0,0|1,0,1]=3 22 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,0,1,0,0,0|2,0,0]=3 25 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,0,1,0,0,0|2,0,0]=3 26 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,0,1,0,0,0|2,1,0]=4 27 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.367 CC1=C(C=C(C=C1)/C(=N/N)/O)I JRD1340 [0,0,1,0,0,0|2,1,0]=4 29 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,0,1,0,0,0|1,0,2]=4 30 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)F)F BOG00015 [0,0,1,0,0,0|1,2,0]=4 31 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,0,1,0,0,0|1,0,2]=4 33 B12R1.385 CC1=CC(=CC=C1Cl)OCCO S538655 [0,0,1,0,0,0|2,0,1]=4 34 B14R2.8239 NC1=CC2=C(C=C1Cl)NC(=O)CO2 T316199 [0,0,0,0,0,1|2,0,1]=4 35 B14R2.28472 CC1=C(C=C2C(=O)C=COC2=C1)Cl IDF00013 [0,0,0,0,0,1|2,0,1]=4 36 B14R2.28472 ClC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000143 [0,0,0,0,0,1|3,0,0]=4 37 B14R2.28472 NC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000564 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [1,0,1,0,0,0|1,0,1]=4 40 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [1,0,1,0,0,0|0,0,2]=4 43 B11R1.21 NC1=CC(=CC=C1Cl)B(O)O CDS020054 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Cl CDS004650 [1,0,1,0,0,0|1,1,0]=4 46 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [1,0,1,0,0,0|0,0,2]=4 48 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [1,0,1,0,0,0|0,0,1]=3 49 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [1,0,1,0,0,0|1,1,0]=4 50 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [1,0,1,0,0,0|1,1,0]=4 55 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [1,0,1,0,0,0|1,0,0]=3 56 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [1,0,1,0,0,0|1,0,0]=3 57 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [1,0,1,0,0,0|1,1,0]=4 58 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [1,0,1,0,0,0|1,0,0]=3 59 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [1,0,1,0,0,0|1,1,0]=4 60 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [1,0,1,0,0,0|0,0,2]=4 61 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [1,0,1,0,0,0|0,0,2]=4 62 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [1,0,1,0,0,0|1,0,0]=3 63 B11R1.192 ON=CC1=CC=C(C(=C1)Cl)Cl PH008936 [1,0,1,0,0,0|0,0,0]=2 64 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [1,0,1,0,0,0|1,0,1]=4 66 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [2,0,0,0,0,0|2,0,0]=4 67 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [2,0,0,0,0,0|2,0,0]=4 68 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [2,0,0,0,0,0|2,0,0]=4 69 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [2,0,0,0,0,0|1,0,0]=3 70 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [2,0,0,0,0,0|1,0,0]=3 71 B11R2.36 ClC1=CC=C2NN=CC2=N1 BLN00012 [2,0,0,0,0,0|2,0,0]=4 72 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [2,0,0,0,0,0|2,0,0]=4 73 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [2,0,0,0,0,0|1,1,0]=4 74 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [2,0,0,0,0,0|2,0,0]=4 75 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [2,0,0,0,0,0|2,0,0]=4 76 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [2,0,0,0,0,0|1,0,0]=3 77 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [2,0,0,0,0,0|1,0,0]=3 78 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [2,0,0,0,0,0|1,1,0]=4 79 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [2,0,0,0,0,0|1,1,0]=4 80 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [2,0,0,0,0,0|2,0,0]=4 81 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [2,0,0,0,0,0|1,0,0]=3 82 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [2,0,0,0,0,0|2,0,0]=4 83 B13R1.2811 O=C(O)C1=C(C(=C(C(=C1)Cl)O)Cl)O TMT00288 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.2811 O=C(O)C1=CC(=C(C(=C1Cl)Cl)Cl)Cl PH010988 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [0,1,1,0,0,0|1,1,0]=4 87 B13R1.669 OCC/N=C/C1=CC=C(C(=C1)Cl)Cl S790931 [0,1,1,0,0,0|1,0,1]=4 88 B13R1.1630 C=CCOC1=CC(=C(C=C1Cl)Cl)Cl PH007540 [0,1,1,0,0,0|2,0,0]=4 89 B13R2.599 ClCC1=C(C=C2OCOC2=C1)Cl PH017179 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.2136 OCC1=CSC2=CC=C(C=C12)Cl CDS014406 [1,1,0,0,0,0|1,1,0]=4 92 B13R2.2130 NCC1=CC2=C(C=C1)C(=NO2)N PH017354 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.11642 CC1=NOC2=C1C(=NC(=C2)Cl)Cl PH016019 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [1,0,0,0,0,1|2,0,0]=4 95 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [1,0,0,0,0,1|2,0,0]=4 96 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [1,0,0,0,0,1|2,0,0]=4 97 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [1,0,0,0,0,1|1,0,0]=3 98 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [1,0,0,0,0,1|1,0,0]=3 99 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [1,0,0,0,0,1|2,0,0]=4 100 B13R2.5179 ClC1=CC2=C(C=C1)C(=NC=N2)Cl S671487 [1,0,0,0,0,1|2,0,0]=4 101 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [1,0,0,0,0,1|1,0,1]=4