0 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C S439428 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)C S544353 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)O JRD1496 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.13083 CC1=NC2=C(C=C1Br)NC(=N2)O S136891 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.13083 CC1=NC2=CC(=C(C=C2S1)C)C R367850 [0,0,0,0,0,0|3,1,0]=4 6 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [0,0,0,0,0,0|2,0,2]=4 7 B13R2.13083 O=C1NC2=C(N1)C=C(C(=C2)Cl)Cl PH010069 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [0,0,0,0,0,0|1,0,2]=3 9 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [0,0,0,0,0,0|1,0,2]=3 10 B13R2.13083 SC1=NC2=C(N1)C=C(C(=C2)Cl)Cl PH011040 [0,0,0,0,0,0|2,1,0]=3 11 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.100 ClC1=CC2=C(C=C1Cl)SN=N2 S945153 [1,0,0,0,0,0|2,1,0]=4 13 B12R2.100 FC1=C(C=C2N=CNC2=C1)Br CDS023617 [1,0,0,0,0,0|2,1,0]=4 14 B12R2.100 N1C=NC2=C1C=C(C(=C2)Cl)C S274585 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.100 NC1=C(C=C2OCOC2=C1)Cl PH009814 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.100 OC1=C(C=C2C=CNC2=N1)Cl ADE001308 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.606 BrC1=CC=C2N=C(SC2=C1)Br JRD0228 [1,0,0,0,0,0|2,1,0]=4 19 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [1,0,0,0,0,0|2,1,0]=4 20 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [1,0,0,0,0,0|2,1,0]=4 21 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [1,0,0,0,0,0|1,1,1]=4 22 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [1,0,0,0,0,0|1,2,0]=4 23 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [1,0,0,0,0,0|1,0,0]=2 31 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [1,0,0,0,0,0|2,1,0]=4 32 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [1,0,0,0,0,0|2,1,0]=4 33 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [1,0,0,0,0,0|2,1,0]=4 35 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [1,0,0,0,0,0|2,1,0]=4 37 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [1,0,0,0,0,0|2,1,0]=4 38 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br S139688 [1,0,0,0,0,0|2,1,0]=4 40 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl S940143 [1,0,0,0,0,0|2,1,0]=4 41 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [1,0,0,0,0,0|1,1,0]=3 42 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [1,0,0,0,0,0|1,2,0]=4 43 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,0,0,0,0,0|1,0,2]=4 44 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [1,0,0,0,0,0|1,0,2]=4 45 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [1,0,0,0,0,0|1,0,2]=4 46 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [1,0,0,0,0,0|1,1,1]=4 47 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [1,0,0,0,0,0|1,0,1]=3 48 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [1,0,0,0,0,0|1,0,0]=2 49 B12R2.606 OC1=NC2=CC(=CN=C2N1)Br ADE001244 [1,0,0,0,0,0|2,1,0]=4 50 B12R2.606 OC1=NC2=NC=C(C=C2N1)Br T316016 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [1,0,0,0,0,0|2,1,0]=4 52 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [1,0,0,0,0,0|1,1,0]=3 53 B14R2.645 CC1=NC2=C(N1C)C=C(C(=C2)Cl)Cl S394726 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.645 CC1=NC2=C(N1C)C=C(C(=C2)Cl)Cl S981559 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.38360 N1C(=NC2=C1C=C(C(=C2)C)C)CO S361046 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.19 N=C(N)NC1=CC=C(C(=C1)Cl)Cl S614629 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,0,1,0,0,0|1,1,1]=4 58 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,0,1,0,0,0|3,0,0]=4 59 B14R2.8239 CC1=CC2=C(C=C1Cl)CCC(=O)O2 IDF00016 [0,0,0,0,0,1|2,0,1]=4 60 B14R2.8239 NC1=CC2=C(C=C1Cl)NC(=O)CO2 T316199 [0,0,0,0,0,1|1,0,2]=4 61 B14R2.8239 O=C1C=CC2=C(O1)C=C(C(=C2)Cl)O IDF00014 [0,0,0,0,0,1|1,0,1]=3 62 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [1,0,1,0,0,0|1,1,0]=4 63 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [1,0,1,0,0,0|1,0,1]=4 67 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [1,0,1,0,0,0|1,0,1]=4 68 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [2,0,0,0,0,0|0,2,0]=4 69 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [2,0,0,0,0,0|0,1,0]=3 70 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [2,0,0,0,0,0|0,1,0]=3 71 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [2,0,0,0,0,0|0,1,0]=3 72 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [2,0,0,0,0,0|1,1,0]=4 73 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [2,0,0,0,0,0|2,0,0]=4 74 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [2,0,0,0,0,0|1,0,0]=3 75 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [2,0,0,0,0,0|2,0,0]=4 76 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [2,0,0,0,0,0|1,0,1]=4 77 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [2,0,0,0,0,0|2,0,0]=4 78 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [2,0,0,0,0,0|2,0,0]=4 79 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [2,0,0,0,0,0|0,1,1]=4 80 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [2,0,0,0,0,0|0,1,1]=4 81 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [2,0,0,0,0,0|1,1,0]=4 82 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [2,0,0,0,0,0|0,2,0]=4 83 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,1,1,0,0,0|1,0,1]=4 84 B13R2.599 OCC1=CC2=C(C=C1Cl)OCO2 TMT00662 [1,1,0,0,0,0|1,0,1]=4 85 B13R2.43 CC1=CC=C2N=C(OC2=C1)CCl CDS016274 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.43 CCC1=NC2=CC(=CC=C2O1)N CDS008245 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.43 CSC1=NC2=CC(=CC=C2O1)Cl T320358 [1,1,0,0,0,0|0,1,0]=3 88 B13R2.43 NC1=CC=C2NC(=NC2=C1)CO CBR01448 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.43 NCC1=NC2=C(N1)C=CC(=C2)Cl PH019118 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)Cl PH019048 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)F PH019149 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.43 NCC1=NC2=C(O1)C=CC(=C2)Cl PH019150 [1,1,0,0,0,0|1,0,0]=3 93 B13R2.43 NCC1=NC2=CC(=CC=C2N1)Cl CDS006508 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.43 NNC1=NC2=C(O1)C=C(C=C2)Cl CBR01288 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.43 OCC1=CC2=CC(=CN=C2O1)Cl ADE001208 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.43 OCC1=CC2=NC=C(C=C2O1)O ADE001182 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.43 OCC1=NC2=C(N1)C=CC(=C2)Cl CBR01079 [1,1,0,0,0,0|1,0,0]=3 98 B13R2.43 OCC1=NC2=C(N1)C=CC(=C2)F CBR00282 [1,1,0,0,0,0|1,1,0]=4 99 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.2121 NCC1=CC=C2N=C(NC2=C1)O CBR02288 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.2121 NCC1=CC=C2N=C(NC2=C1)O PH019530 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)Cl PH003360 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.5190 CN1C2=CC=C(C=C2N=C1Cl)Cl PH018771 [1,1,0,0,0,0|2,0,0]=4 104 B15R2.62229 O=[N+]([O-])C1=C(C=C2N=C(OC2=C1)S)Cl T320579 [0,2,0,0,0,0|0,1,1]=4 105 B15R2.10808 CC1=CC2=C(C=C1Cl)N=C(O2)CCN PH015105 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,0,1,0,1,0|2,0,0]=4 107 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,0,1,0,1,0|1,0,0]=3 108 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,0,1,0,0,1|2,0,0]=4 109 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [1,0,0,0,0,1|2,0,0]=4 110 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [1,0,0,0,0,1|1,0,1]=4 111 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [1,0,0,0,0,1|1,0,1]=4 112 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [1,0,0,0,0,1|0,0,2]=4 113 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [1,0,0,0,0,1|2,0,0]=4