0 B11R1.266 CCC1=CC=CC(=C1)B(O)O SYX00037 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.266 COC1=CC(=CC=N1)B(O)O CDS007799 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,0,0,0,0,0|3,1,0]=4 5 B11R1.266 COC1=NC(=CN=C1)C(=S)N PH015538 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,0,0,0,0,0|2,1,1]=4 7 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [0,0,0,0,0,0|2,1,1]=4 8 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [1,0,0,0,0,0|2,1,0]=4 16 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,0,0,0,0,0|2,1,0]=4 17 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,0,0,0,0,0|1,1,0]=3 19 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,0,0,0,0,0|1,1,0]=3 20 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,0,0,0,0,0|2,1,0]=4 21 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,0,0,0,0,0|2,1,0]=4 22 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,0,0,0,0,0|2,1,0]=4 23 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,0,0,0,0,0|2,1,0]=4 24 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.172 CCC1=NC(=CC=N1)C=O CBR02044 [1,0,0,0,0,0|1,1,0]=3 26 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [1,0,0,0,0,0|1,1,1]=4 27 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [1,0,0,0,0,0|2,1,0]=4 29 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.172 N#CC1=NC=CC(=C1)C=O CDS015515 [1,0,0,0,0,0|1,1,1]=4 32 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.258 CC(C)C1=CC(=CC=N1)B(O)O CDS023519 [0,1,0,0,0,0|2,1,0]=4 35 B12R1.258 CC(C)C1=NC(=CC=N1)C(=O)O CBR00061 [0,1,0,0,0,0|2,1,0]=4 36 B12R1.258 CN(C)C1=CC(=CC=N1)C(=O)O CDS002256 [0,1,0,0,0,0|2,1,0]=4 37 B12R1.258 NC(=S)C1=CC=CC(=C1)C(=S)N BOG00230 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.258 NC(=S)C1=CC=CC(=C1)[N+](=O)[O-] BOG00006 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.279 CCC[N+]1=CC=CC(=C1)C(=O)N S906239 [0,1,0,0,0,0|2,1,0]=4 40 B12R1.279 CCOC1=CC(=CC=C1)C(=S)N BOG00040 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.279 CCOC1=CC=CC(=C1)[C@@H](C)N CDS015862 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [0,1,0,0,0,0|2,1,0]=4 43 B12R1.279 NC(=O)C1=C[N+](=CC=C1)CCO S914436 [0,1,0,0,0,0|2,1,0]=4 44 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,1,0,0,0,0|2,1,0]=4 45 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [0,1,0,0,0,0|2,1,0]=4 46 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,0,0,0,1,0|2,1,0]=4 47 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,0,0,0,1,0|2,1,0]=4 48 B10R1.31 CCC1=NOC(=C1)C(=O)O CDS009381 [0,0,0,0,1,0|2,1,0]=4 49 B10R1.31 CCN1C=C(C=N1)C(=O)O CDS008621 [0,0,0,0,1,0|2,1,0]=4 50 B10R1.39 CCC1=C(SC=N1)C(=O)O OTV000450 [0,0,0,0,1,0|2,1,0]=4 51 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,0,0,0,0,1|2,1,0]=4 52 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,0,0,0,0,1|2,1,0]=4 53 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,0,0,0,0,1|2,1,0]=4 54 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [0,0,0,0,0,1|3,0,0]=4 55 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [0,0,0,0,0,1|2,0,0]=3 56 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [0,0,0,0,0,1|2,0,0]=3 57 B12R1.438 N#CC1=CC(=CC=C1)NC(=S)N CDS003990 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.2 CC1=CC(=CC=N1)CO L499730 [2,0,0,0,0,0|0,1,1]=4 59 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [2,0,0,0,0,0|1,0,1]=4 60 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.2 CNC1=CC(=CC=C1)N S604097 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [2,0,0,0,0,0|1,1,0]=4 68 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [1,1,0,0,0,0|1,1,0]=4 76 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [1,1,0,0,0,0|1,1,0]=4 77 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [1,1,0,0,0,0|1,1,0]=4 78 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [1,1,0,0,0,0|1,1,0]=4 79 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [1,1,0,0,0,0|1,1,0]=4 80 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [1,1,0,0,0,0|1,1,0]=4 81 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [1,1,0,0,0,0|1,1,0]=4 82 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [1,1,0,0,0,0|1,1,0]=4 83 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.50 CCC1=CC(=C(S1)N)C(=O)N OTV000758 [0,1,0,0,1,0|1,1,0]=4 86 B11R1.473 CCC1=NNC(=C1N)C(=O)N PH018531 [0,1,0,0,1,0|1,1,0]=4 87 B13R1.81 CCC1=CC(=CC=C1)OC(=O)NC S763179 [0,1,0,0,0,1|1,1,0]=4 88 B13R1.81 CNC(=S)NC1=CC(=CC=C1)OC TMT00075 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.314 CCC1=NC(=CC(=C1)C(=O)OC)O JRD1293 [0,2,0,0,0,0|1,1,0]=4 90 B13R1.3091 COC1=CC=C(C=C1OC)C(=S)N PH011041 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.374 CCNC1=CC(=CC=N1)/C(=N/O)/C PH008403 [0,2,0,0,0,0|1,0,1]=4 92 B13R1.374 CCOC1=CC(=CC=C1)C(=O)NN PH011686 [0,2,0,0,0,0|1,1,0]=4 93 B13R1.387 CCOC1=CC(=C(C=C1)N)C(=O)N CDS024009 [0,2,0,0,0,0|1,1,0]=4 94 B13R1.2431 CCC1=CC(=C(C=C1)O)/C(=N/N)/O JRD1300 [0,2,0,0,0,0|1,1,0]=4 95 B13R1.2137 COC1=CC=CC(=C1OC)C(=S)N PH015284 [0,2,0,0,0,0|2,0,0]=4 96 B11R2.106 O=C1NCCC2=C1C=CN2 PH003760 [0,0,0,1,1,0|0,1,1]=4 97 B13R2.581 CCC1=CC=CC2=C1N=C(S2)N CDS022133 [0,0,0,1,0,1|2,0,0]=4 98 B13R2.2121 CCC1=CC2=C(C=C1)N=C(S2)N PH010443 [0,0,0,1,0,1|2,0,0]=4 99 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 PH010661 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.573 COC1=NC=CC2=C1NN=C2Br BLN00039 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.669 COC1=CC2=C(C=N1)NN=C2Br BLN00040 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.35 CC1=NC(=CN1)C(=S)N CDS014746 [1,0,0,0,1,0|1,0,1]=4 103 B9R1.41 NC(=S)C1=CNN=C1N BOG00272 [1,0,0,0,1,0|2,0,0]=4 104 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [1,0,0,0,1,0|1,1,0]=4 105 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,0,0,0,0,1|1,1,0]=4 106 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [1,0,0,0,0,1|2,0,0]=4 107 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,0,0,0,1,1|0,1,0]=3 108 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,0,0,0,1,1|0,0,0]=2 109 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,0,0,0,1,1|0,0,0]=2 110 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,0,0,0,1,1|1,0,1]=4 111 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,0,0,0,1,1|1,0,1]=4 112 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [0,0,0,0,1,1|1,1,0]=4 113 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,0,0,0,1,1|2,0,0]=4 114 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,0,0,0,1,1|1,0,0]=3 115 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,0,0,0,1,1|1,1,0]=4