0 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 CCC1=CC(=CC=C1N)C#N CDS000771 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.280 COC1=CC(=C(N=C1)I)OC ADE000213 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.30 COC1=C(C=NC(=O)N1)F CBR01600 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [1,0,0,0,0,0|0,0,1]=2 26 B10R1.30 COC1=NC(=O)NC=C1C T263567 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [1,0,0,0,0,0|2,1,0]=4 28 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.172 CCC1=NC(=CC=N1)C=O CBR02044 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [1,0,0,0,0,0|1,1,1]=4 44 B10R1.172 N#CC1=NC=CC(=C1)C=O CDS015515 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,1,0,0,0,0|0,1,0]=2 70 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.56 COC1=CC(=CC=C1C)B(O)O CDS020070 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.56 COC1=CC(=CC=C1Cl)B(O)O CDS007828 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,1,0,0,0,0|1,0,0]=2 75 B12R1.56 COC1=CC(=CC=C1F)B(O)O CDS004272 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.56 COC1=CC(=CC=C1I)[N+](=O)[O-] S362824 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.56 COC1=NC(=CC=C1Br)C(=O)O CDS023922 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.56 NC(=O)C1=CC=C(C(=C1)C=O)F PH018747 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl TMT00282 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.78 COC1=C(N=C(C=C1)C#N)OC ADE000524 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.78 COC1=C(N=C(C=C1)C=O)OC ADE000507 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.78 COC1=C(N=C(C=C1)CO)OC ADE000517 [0,1,0,0,0,0|1,0,2]=4 84 B12R1.78 COC1=C(N=CC(=C1)C#N)OC ADE000523 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.78 COC1=C(N=CC(=C1)C=O)OC ADE000511 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.78 COC1=C(N=CC(=C1)CO)OC ADE000519 [0,1,0,0,0,0|1,0,2]=4 87 B12R1.78 COC1=CC(=CC=C1C#N)CBr CDS023567 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.78 COC1=CC(=CC=C1CBr)C#N CDS022455 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.78 COC1=CC=C(C(=C1)OC)[Hg]Cl S880906 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.78 COC1=CC=C(C(=N1)OC)OC ADE001428 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.270 C(=O)C1=CC=C(C(=C1)CC=C)O CBR00234 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.286 COC1=CC(=CC=C1N)SC#N S587141 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [0,1,0,0,0,0|0,0,1]=2 95 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [0,1,0,0,0,0|0,0,1]=2 96 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [0,1,0,0,0,0|0,0,2]=3 97 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.449 C(=O)C1=C(C=C(C(=C1)OC)O)Br S107026 [0,1,0,0,0,0|0,0,0]=1 99 B12R1.449 COC1=C(C=C(C(=C1)C#N)Br)O VBP00086 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.449 COC1=CC(=C(C=C1Cl)N)OC S458562 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.449 COC1=CC(=C(C=C1I)Cl)OC S359467 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.449 COC1=CC(=C(C=C1N)C)OC PH008820 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.449 COC1=CC(=C(C=C1N)F)OC MNO000177 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.654 O=NC1=CC=C(C(=C1O)N=O)O S944009 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,0,0,1,0,0|1,0,1]=3 106 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.44 NNC1=CC=C2OCOC2=C1 CBR00760 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 CDS009176 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.44 O=CC1=CC2=NON=C2C=C1 CDS016203 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.44 O=CC1=CN=C2C=COC2=C1 ADE001143 [0,0,0,1,0,0|2,0,1]=4 111 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,0,0,1,0,0|1,0,2]=4 112 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [2,0,0,0,0,0|0,1,1]=4 115 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.2 CNC1=CC(=CC=C1)N S604097 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [2,0,0,0,0,0|1,0,1]=4 123 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [2,0,0,0,0,0|0,1,1]=4 126 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [2,0,0,0,0,0|1,0,1]=4 127 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [2,0,0,0,0,0|1,0,0]=3 130 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.15 COC1=CC=NC=C1Br CDS007984 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.15 COC1=NC=CC=C1N CDS002836 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [2,0,0,0,0,0|1,1,0]=4 139 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [2,0,0,0,0,0|1,0,1]=4 140 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [2,0,0,0,0,0|1,1,0]=4 141 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [2,0,0,0,0,0|1,0,1]=4 142 B9R1.69 CC1=CC(=CC=C1N)N S442275 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,0,0,0,0,0|1,0,1]=4 144 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [2,0,0,0,0,0|1,0,1]=4 145 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,0,0,0,0,0|1,0,1]=4 155 B11R0.145 COC(=O)/C(=C/C=C/C(=O)O)/C S890944 [0,1,1,0,0,0|2,0,0]=4 156 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [1,1,0,0,0,0|0,0,1]=3 157 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.37 COC1=C(N=C(C=C1)Cl)OC ADE000503 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.37 COC1=C(N=CC(=C1)I)OC ADE000536 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [1,1,0,0,0,0|0,0,1]=3 165 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [1,1,0,0,0,0|0,0,1]=3 166 B11R1.37 COC1=CC(=CN=C1CO)Br ADE000508 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.37 COC1=CC(=CN=C1OC)Br ADE000471 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.37 COC1=CC=C(N=C1OC)I ADE000466 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.72 CCC1=C(C(=CC=C1O)F)Cl PH017315 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [1,1,0,0,0,0|0,0,1]=3 174 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.277 COC1=C(C=C(C(=C1)F)F)F R276812 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.9 COC1=CC(=CC(=C1)CN)F CDS014667 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.9 COC1=CC(=CC(=C1)Cl)C=O CDS022648 [1,1,0,0,0,0|0,0,0]=2 184 B11R1.9 COC1=CC(=CC(=C1)OC)[O-] S860948 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,1,0,0,0,0|0,0,0]=2 186 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [1,1,0,0,0,0|0,0,0]=2 187 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.189 COC1=CN=CC(=C1)/C=N/O ADE000506 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.189 COCC1=CC=CC(=C1)CBr CDS024084 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.189 N#CCC1=CC(=CC=C1)C=O CDS015965 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.266 C(=O)C1=CC=CC(=C1)C(F)F MNO000203 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CDS004820 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [1,1,0,0,0,0|0,0,2]=4 194 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [1,1,0,0,0,0|1,1,0]=4 201 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.267 COC1=CC=CC(=C1C)NN PH019503 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.14 CC1=CC(=CC(=C1F)C)C=O CDS000866 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.14 O=CC1=CC(=C(C(=C1)Cl)O)Cl CDS014555 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.14 O=CC1=CC(=C(C(=C1)F)O)Br CDS024542 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [1,1,0,0,0,0|0,0,0]=2 212 B11R1.14 O=CC1=CC(=C(C(=N1)Br)O)I ADE001342 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [1,1,0,0,0,0|1,1,0]=4 221 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [1,1,0,0,0,0|0,1,0]=3 225 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.192 CC1=CC(=CC=C1O)SC#N CDS016664 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.279 COC1=C(N=C(C=C1)C=O)Br CDS023947 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|0,0,2]=4 239 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.64 COC1=C(SC=C1C(=O)O)Cl CDS015144 [0,1,0,0,1,0|2,0,0]=4 242 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [0,2,0,0,0,0|1,0,0]=3 243 B13R1.49 CCC(=O)C1=CC=C(C(=C1)CCl)O S218766 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [0,2,0,0,0,0|0,0,0]=2 245 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [0,2,0,0,0,0|1,0,0]=3 246 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [0,2,0,0,0,0|0,0,0]=2 248 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,2,0,0,0,0|0,0,0]=2 249 B13R1.49 COC1=CC(=CC=C1O)/C(=N\O)/N BOG00046 [0,2,0,0,0,0|0,0,1]=3 250 B13R1.50 COC1=CC(=CC=C1O)C(C)(C)C T287008 [0,2,0,0,0,0|1,0,1]=4 251 B13R1.298 COC1=C(C(=CC(=C1)C(=O)C)O)O PH004048 [0,2,0,0,0,0|0,0,0]=2 252 B13R1.298 COC1=CC(=CC(=C1O)Br)C(=O)O L170933 [0,2,0,0,0,0|0,0,0]=2 253 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CDS003720 [0,2,0,0,0,0|0,0,0]=2 254 B13R1.354 CCOC1=CC(=CC=C1N)[N+](=O)[O-] S645893 [0,2,0,0,0,0|2,0,0]=4 255 B13R1.651 CC1=C(C=C(C(=C1)O)C(C)C)N=O S953520 [0,2,0,0,0,0|2,0,0]=4 256 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)F)Cl PH017273 [0,2,0,0,0,0|1,0,0]=3 257 B13R1.651 COC1=CC(=C(C=C1Br)N)[N+](=O)[O-] S707236 [0,2,0,0,0,0|2,0,0]=4 258 B13R1.651 COC1=CC(=C(C=C1Cl)F)[N+](=O)[O-] CDS013413 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC ADE000510 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.3091 COC1=C(N=CC(=C1)C(=O)O)OC ADE000644 [0,2,0,0,0,0|1,0,0]=3 261 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N PH009840 [0,2,0,0,0,0|0,0,0]=2 262 B13R1.3091 COC1=CC=C(C=C1OC)C(=S)N PH011041 [0,2,0,0,0,0|0,1,0]=3 263 B13R1.3091 COC1=CC=C(N=C1OC)C(=O)C ADE000753 [0,2,0,0,0,0|1,0,0]=3 264 B13R1.99 COC1=CC=C(C(=C1)OC)C(C)O PH017427 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.355 CCOC1=C(C=CC(=C1)CO)OC R160164 [0,2,0,0,0,0|0,0,2]=4 266 B13R1.386 C/N=C/C1=CC=C(C(=C1)OC)OC S880655 [0,2,0,0,0,0|1,0,0]=3 267 B13R1.386 C=CCC1=NC(=C(C=C1)OC)OC ADE000502 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.386 COC1=C(C=C(C=C1)C#C[Cu])OC L162515 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.386 COC1=C(N=C(C=C1)/C=N/O)OC ADE000525 [0,2,0,0,0,0|1,0,1]=4 270 B13R1.386 COC1=C(N=CC(=C1)/C=N/O)OC ADE000522 [0,2,0,0,0,0|1,0,1]=4 271 B13R1.386 COC1=CC=C(C=C1OC)C=NO S368415 [0,2,0,0,0,0|0,0,1]=3 272 B13R1.386 COC1=CC=C(C=C1OC)SC#N S756636 [0,2,0,0,0,0|1,0,1]=4 273 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,2,0,0,0,0|1,0,1]=4 274 B13R1.434 COC1=C(C=C(C=C1C=O)C=O)O L497665 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.434 COC1=CC(=CC(=C1OC)Br)C#N OTV000091 [0,2,0,0,0,0|1,0,1]=4 276 B13R1.434 COC1=CC(=CC(=C1OC)Br)CO PH000160 [0,2,0,0,0,0|0,0,2]=4 277 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)CCl TMT00493 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.1249 CCOC1=CC=C(C=C1OC)CO R160156 [0,2,0,0,0,0|0,0,2]=4 279 B13R1.1249 CCOC1=CC=C(C=C1OC)CO S321699 [0,2,0,0,0,0|0,0,2]=4 280 B13R1.1249 COC1=CC=C(C(=C1)OC)CCO CDS016699 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.2200 COC1=C(C=C(C(=C1)Br)C#N)OC VBP00016 [0,2,0,0,0,0|1,0,1]=4 282 B13R1.2200 COC1=CC(=C(C=C1Br)OC)OC S846376 [0,2,0,0,0,0|2,0,0]=4 283 B13R1.2200 COC1=CC(=C(C=C1OC)CO)Br TMT00349 [0,2,0,0,0,0|0,0,2]=4 284 B13R1.2422 C(=O)C1=CC=C(C(=C1O)OC)OC CDS016523 [0,2,0,0,0,0|0,0,0]=2 285 B13R1.2422 COC1=C(C(=C(C=C1)CO)OC)C R751367 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.2430 COC1=CC=C(C=C1C(=O)O)C=O CDS014068 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.97 C(=O)C1=CC=C(C(=C1)CN(C)C)O CBR00370 [0,2,0,0,0,0|1,0,0]=3 288 B13R1.2431 CCC1=CC=C(C(=C1)C(=O)OC)O JRD0887 [0,2,0,0,0,0|1,0,1]=4 289 B13R1.3981 C(=O)C1=CC(=C(C(=C1)OCC)O)Br R397814 [0,2,0,0,0,0|0,0,0]=2 290 B13R1.3981 CCOC1=C(C(=CC(=C1)C#N)Br)O VBP00006 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,2,0,0,0,0|1,0,0]=3 293 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,2,0,0,0,0|1,0,0]=3 294 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.4030 COC1=C(C(=CC(=C1)/C=N/O)Br)O OTV000217 [0,2,0,0,0,0|0,0,1]=3 296 B13R1.425 COC1=CC(=C(C(=C1O)Cl)Br)C=O CDS004888 [0,2,0,0,0,0|0,0,0]=2 297 B13R1.433 COC1=CC(=C(C(=C1)OC)O)OC PH014572 [0,2,0,0,0,0|2,0,0]=4 298 B13R1.433 COC1=CC(=CC(=C1Br)OC)C=O CDS000211 [0,2,0,0,0,0|1,0,0]=3 299 B13R1.437 O=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-] CDS016987 [0,2,0,0,0,0|2,0,0]=4 300 B13R1.98 O=CC1=CC=C(C(=C1)C(F)(F)F)O CDS013813 [0,2,0,0,0,0|2,0,0]=4 301 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,0,0,1,0,0|2,0,0]=4 302 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,0,0,1,0,0|2,0,0]=4 303 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [1,0,0,1,0,0|1,0,0]=3 304 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 PH010650 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.430 CC(O)C1=CC=C2OCOC2=C1 CDS012449 [0,1,0,1,0,0|0,0,2]=4 306 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 S242586 [0,1,0,1,0,0|0,0,0]=2 307 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 PH010661 [0,1,0,1,0,0|0,1,0]=3 308 B13R2.430 O=C(Cl)C1=CC=C2OC=CC2=C1 CDS014745 [0,1,0,1,0,0|1,0,1]=4 309 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 T153958 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CDS021633 [0,1,0,1,0,0|1,0,1]=4 311 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 CDS015398 [0,1,0,1,0,0|1,0,0]=3 312 B13R2.430 O=C(O)C1=CC=C2NCCC2=C1 CDS019637 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 CDS010065 [0,1,0,1,0,0|1,0,1]=4 314 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 CDS014411 [0,1,0,1,0,0|1,0,1]=4 315 B13R2.57 NNC1=CC=C2OCCOC2=C1 CBR00939 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.57 O=CC1=CN=C2OCCCC2=C1 ADE000004 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.57 O=CC1=CN=C2OCCOC2=C1 ADE000032 [0,1,0,1,0,0|1,0,0]=3 318 B13R2.57 [C-]#[N+]C1=CC2=C(C=C1)OCCO2 PH015687 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.2130 CN1CCC2=CC(=CC=C12)C=O OTV000668 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.449 C/N=C/C1=CC2=C(C=C1)OCO2 S483400 [0,1,0,1,0,0|1,0,0]=3 321 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [0,1,0,1,0,0|1,0,1]=4 322 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 R427209 [0,1,0,1,0,0|1,0,1]=4 323 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [0,1,0,1,0,0|1,0,1]=4 324 B13R2.449 O=C=NC1=CC=C2OCCC2=C1 CDS016655 [0,1,0,1,0,0|1,0,1]=4 325 B13R2.449 ON=CC1=CC2=C(C=C1)OCO2 S526185 [0,1,0,1,0,0|0,0,1]=3 326 B13R2.599 C(=O)C1=C(C=C2OCOC2=C1)C CBR00442 [0,1,0,1,0,0|0,0,0]=2 327 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.599 ClCC1=C(C=C2OCOC2=C1)Cl PH017179 [0,1,0,1,0,0|1,0,1]=4 329 B13R2.599 OCC1=CC2=C(C=C1Cl)OCO2 TMT00662 [0,1,0,1,0,0|0,0,2]=4 330 B13R2.654 O=CC1=CC2=C(OCO2)C(=C1)Br CDS011469 [0,1,0,1,0,0|0,0,0]=2 331 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [1,0,0,0,1,0|1,1,0]=4 332 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [1,0,0,0,1,0|2,0,0]=4 333 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [0,0,0,0,1,1|1,0,0]=3 334 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [0,0,0,0,1,1|1,0,0]=3 335 B11R1.265 COC1=C(C=CN=C1Br)C=O ADE000176 [0,0,0,0,1,1|1,0,0]=3