0 B11R1.267 CCC1=CC=CC(=C1Br)CC S638986 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.267 CCC1=CC=CC(=C1F)CC S567299 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.267 COC1=CC=CC(=C1C)NN PH019503 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.267 COC1=CN=CC(=C1I)C#N ADE000541 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.267 COC1=CN=CC(=C1N)C#N ADE000601 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,0,0,0,0,0|0,0,0]=1 11 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [1,0,0,0,0,0|2,1,0]=4 31 B12R1.280 CCCC1=C(C(=CC=C1)C=O)O ASX00140 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.280 COC1=CC=CC(=C1O)/C=N/O R787698 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.280 COC1=CC=CC(=C1O)CC#N PH011489 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.440 CC(C)C1=C(C(=CC=C1)C=O)O ASX00128 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.440 CCC1=CC=CC(=C1N)C(C)C S669296 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.440 COC1=CC=CC(=C1Br)[N+](=O)[O-] TMT00303 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.440 COC1=CC=CC(=C1N)[N+](=O)[O-] CDS020857 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.440 COC1=CC=CC(=C1O)B(O)O CDS006533 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.654 C(=O)C1=C(C(=CC=C1Br)OC)F RNI00133 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.654 C(=O)C1=C(C(=CC=C1I)OC)O L134902 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.1879 COC1=CC=CC(=C1C#N)OC R427128 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.1879 COC1=CC=CC(=C1CN)OC T151130 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.1879 COC1=CC=CC(=C1OC)SC R160598 [0,1,0,0,0,0|0,1,0]=2 45 B12R1.1879 COC1=CC=CC(=C1OC)SC S468444 [0,1,0,0,0,0|0,1,0]=2 46 B12R2.315 COC1=CC=CC2=C1CCN2 CDS009131 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.315 COC1=CC=CC2=C1CNC2 CDS023355 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.2 CCC1=NC(=CC=C1)C S580031 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.2 CNC1=CC(=CC=C1)N S604097 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [2,0,0,0,0,0|0,1,0]=3 61 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [2,0,0,0,0,0|1,1,0]=4 63 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.3 CC1=COC=C(C1=O)C T162310 [2,0,0,0,0,0|1,0,1]=4 69 B9R1.3 CC1=NC=NC(=C1O)O S217778 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.15 COC1=CC=NC=C1Br CDS007984 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 COC1=NC=CC=C1N CDS002836 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.72 CCC1=C(C(=CC=C1F)O)Cl PH017290 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.72 COC1=C(C(=CN=C1Br)I)O ADE000157 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.72 COC1=C(N(C=CC1=O)C)C PH007668 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.265 COC1=C(C(=CC=C1)O)C=O CDS001142 [1,1,0,0,0,0|0,0,1]=3 95 B11R1.265 COC1=CC=CC(=C1C=O)Cl CDS021003 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.265 COC1=CC=NC(=C1OC)Cl MNO000125 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.265 COC1=CN=CC(=C1OC)N ADE000479 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.265 COC1=NC=CC(=C1OC)I ADE000175 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.278 COC1=C(C(=C(C=C1)Cl)Cl)Cl R279021 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.278 COC1=C(C(=C(C=C1)F)O)Cl CDS021067 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.278 COC1=C(C(=C(C=C1)O)F)F CDS002829 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [1,1,0,0,0,0|0,0,0]=2 104 B11R1.9 COC1=CC(=CC(=C1)CN)F CDS014667 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.9 COC1=CC(=CC(=C1)Cl)C=O CDS022648 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.9 COC1=CC(=CC(=C1)OC)[O-] S860948 [1,1,0,0,0,0|0,0,0]=2 107 B11R1.9 COC1=CC(=NC(=N1)OC)S T161861 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,1,0,0,0,0|1,0,1]=4 109 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.189 COCC1=CC=CC(=C1)CBr CDS024084 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [1,1,0,0,0,0|1,0,0]=3 114 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [1,1,0,0,0,0|1,0,0]=3 116 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.280 COC1=CC(=C(C=C1)Br)CCl PH010839 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.280 COC1=CC(=C(C=C1)Br)CO PH010837 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.280 COC1=CC(=C(C=C1)Cl)CO TMT00626 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.280 COC1=CC(=C(C=C1)F)C#N MNO000003 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.280 COC1=CC(=C(N=C1)I)OC ADE000213 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,1,0,0,0,0|2,0,0]=4 124 B13R1.302 COC1=CC(=CC(=C1C=O)OC)C PH010583 [0,2,0,0,0,0|0,0,1]=3 125 B13R1.302 COC1=CC(=CC(=C1OC)C#N)Br OTV000262 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.433 COC1=CC(=C(C(=C1)OC)Br)OC PH011157 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.433 COC1=CC(=C(C(=C1)OC)Cl)OC S540455 [0,2,0,0,0,0|1,0,0]=3 128 B13R1.433 COC1=CC(=C(C(=C1)OC)O)OC PH014572 [0,2,0,0,0,0|0,0,0]=2 129 B13R1.433 COC1=CC(=CC(=C1Br)OC)C=O CDS000211 [0,2,0,0,0,0|1,0,0]=3 130 B13R1.82 CCC1=C(C(=CC=C1)C(=O)OC)I S663417 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.82 COC(=O)C1=C(C(=CC=C1)OC)C KOB0145 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.82 COC(=O)C1=CC=CC(=C1N)OC CDS023454 [0,2,0,0,0,0|1,0,0]=3 133 B13R1.641 C=C(C)CC1=CC=CC(=C1O)OC PH007147 [0,2,0,0,0,0|1,0,0]=3 134 B13R1.641 COC1=C(C(=CC=C1)CN(C)N)Cl PH007578 [0,2,0,0,0,0|2,0,0]=4 135 B13R1.3911 CNCC1=CC=CC(=C1OC)OC CDS004421 [0,2,0,0,0,0|1,0,0]=3 136 B13R1.3911 COC1=C(C(=CC=C1)CC#N)OC PH011502 [0,2,0,0,0,0|1,0,1]=4 137 B13R1.3911 COC1=CC=CC(=C1OC)/C=N\O S773581 [0,2,0,0,0,0|2,0,0]=4 138 B13R1.2137 COC1=C(C(=CC=C1)C(=O)C)OC IDF00009 [0,2,0,0,0,0|1,0,0]=3 139 B13R1.2137 COC1=C(C(=CC=C1)C(=O)N)OC S751898 [0,2,0,0,0,0|2,0,0]=4 140 B13R1.2137 COC1=CC=CC(=C1OC)C(=S)N PH015284 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.2137 COC1=CC=CC(=C1OC)C(C)C S100846 [0,2,0,0,0,0|1,0,0]=3 142 B13R1.2277 C(=O)C1=C(C(=CC=C1I)OC)OC L134945 [0,2,0,0,0,0|2,0,0]=4 143 B13R1.2277 C(=O)C1=C(C=CC(=C1OC)OC)Br L135259 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.2422 C(=O)C1=CC=C(C(=C1O)OC)OC CDS016523 [0,2,0,0,0,0|2,0,0]=4 145 B13R1.2422 C(=O)C1=CC=C(C(=C1OC)O)OC S429538 [0,2,0,0,0,0|0,0,0]=2 146 B13R1.2422 COC1=C(C(=C(C=C1)CO)OC)C R751367 [0,2,0,0,0,0|1,0,0]=3 147 B13R1.3904 C(=O)C1=C(C(=CC=C1)OC)OCC S427764 [0,2,0,0,0,0|2,0,0]=4 148 B13R1.3904 CCOC1=C(C=CC=C1OC)CN CBR02377 [0,2,0,0,0,0|2,0,0]=4 149 B13R1.3904 COC1=CC=CC(=C1CCO)OC S749761 [0,2,0,0,0,0|0,0,0]=2 150 B11R1.59 COC(=O)C1=C(C=CO1)OC T266485 [0,0,1,1,0,0|1,0,0]=3 151 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,0,1,1,0,0|1,0,1]=4 152 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [1,0,0,1,0,0|1,0,1]=4 153 B13R2.623 COC1=CC(=CC2=C1OCO2)N PH015822 [0,1,0,1,0,0|0,0,0]=2 154 B13R2.581 COC1=C2SC(=NC2=CC=C1)C PH003522 [0,1,0,1,0,0|1,1,0]=4 155 B13R2.1613 COC1=C2OCCOC2=NC=C1 ADE000049 [0,1,0,1,0,0|1,0,0]=3 156 B13R2.1613 NCC1=C2OCCOC2=CC=C1 CDS013915 [0,1,0,1,0,0|2,0,0]=4 157 B13R2.573 COC1=C2CCC(C2=CC=C1)N CDS020987 [0,1,0,1,0,0|2,0,0]=4 158 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 CDS015304 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,0,0,0,1,1|0,0,0]=2 160 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [0,0,0,0,1,1|1,1,0]=4 161 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [0,0,0,0,1,1|1,1,0]=4 162 B11R1.279 COC1=CN=C(N=C1O)SC T121126 [0,0,0,0,1,1|1,1,0]=4