0 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.286 CCOC1=CC=C(C(=C1)C=O)O ASX00006 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.286 COC1=CC(=CC=C1N)SC#N S587141 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.189 COC1=CN=CC(=C1)/C=N/O ADE000506 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.192 CC1=CC(=CC=C1O)SC#N CDS016664 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.280 COC1=CC(=C(N=C1)I)OC ADE000213 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.49 CCC(=O)C1=CC=C(C(=C1)CCl)O S218766 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.49 COC1=CC(=CC=C1O)/C(=N\O)/N BOG00046 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,1,0,0,0,0|1,0,1]=3 30 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.386 C/N=C/C1=CC=C(C(=C1)OC)OC S880655 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.386 C=CCC1=NC(=C(C=C1)OC)OC ADE000502 [0,1,0,0,0,0|1,0,2]=4 33 B13R1.386 COC1=C(C=C(C=C1)C#C[Cu])OC L162515 [0,1,0,0,0,0|1,0,2]=4 34 B13R1.386 COC1=C(N=C(C=C1)/C=N/O)OC ADE000525 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.386 COC1=C(N=CC(=C1)/C=N/O)OC ADE000522 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.386 COC1=CC=C(C=C1OC)C=NO S368415 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.386 COC1=CC=C(C=C1OC)SC#N S756636 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.4030 COC1=C(C(=CC(=C1)/C=N/O)Br)O OTV000217 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.121 COC1=C2OC=CC2=CN=C1Br ADE001207 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.449 C/N=C/C1=CC2=C(C=C1)OCO2 S483400 [0,0,0,1,0,0|1,0,0]=2 42 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [0,0,0,1,0,0|0,0,2]=3 43 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 R427209 [0,0,0,1,0,0|1,0,1]=3 44 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [0,0,0,1,0,0|1,0,2]=4 45 B13R2.449 ON=CC1=CC2=C(C=C1)OCO2 S526185 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [0,0,0,1,0,0|2,0,1]=4 47 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [2,0,0,0,0,0|0,0,1]=3 51 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.1 COCC1=CC=C(C=C1)O S392596 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [2,0,0,0,0,0|1,0,1]=4 75 B12R1.280 COC1=CC=CC(=C1O)/C=N/O R787698 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.382 COC1=CC(=CC=C1)CCCN CBR01749 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.382 COC1=CC(=CC=C1)CCCO PH016113 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.382 COC1=CC(=CC=C1)OCCN R414409 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [1,1,0,0,0,0|0,0,1]=3 80 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.435 COC1=CC(=CC=C1)/C(=N/O)/C PH010759 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [1,1,0,0,0,0|1,1,0]=4 95 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,1,0,0,0,0|0,0,2]=4 101 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,1,0,0,0,0|0,0,1]=3 105 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,1,0,0,0,0|0,0,2]=4 106 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [1,1,0,0,0,0|0,0,2]=4 118 B12R1.78 COC1=C(N=C(C=C1)C=O)OC ADE000507 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.78 COC1=C(N=CC(=C1)C=O)OC ADE000511 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.78 COC1=CC=C(C(=C1)OC)[Hg]Cl S880906 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.78 COC1=CC=C(C(=N1)OC)OC ADE001428 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.449 C(=O)C1=C(C=C(C(=C1)OC)O)Br S107026 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.449 COC1=C(C=C(C(=C1)C#N)Br)O VBP00086 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.449 COC1=CC(=C(C=C1Cl)N)OC S458562 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.449 COC1=CC(=C(C=C1I)Cl)OC S359467 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.449 COC1=CC(=C(C=C1N)C)OC PH008820 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.449 COC1=CC(=C(C=C1N)F)OC MNO000177 [1,1,0,0,0,0|2,0,0]=4 130 B14R1.44 COC1=CC(=CC=C1O)C(OC)OC S291404 [0,2,0,0,0,0|1,0,1]=4 131 B14R1.436 CCCC1=CC(=CC=C1O)C(=O)OC CDS004406 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [0,2,0,0,0,0|0,0,1]=3 133 B14R1.1864 COC(=O)C1=NC(=C(C=C1)OC)OC ADE000583 [0,2,0,0,0,0|2,0,0]=4 134 B14R1.1864 COC1=CC=C(C=C1OC)/C(=N/O)/C PH004190 [0,2,0,0,0,0|2,0,0]=4 135 B14R1.2283 COC1=CC(=C(C=C1O)Br)C(=O)CN S105368 [0,2,0,0,0,0|1,0,1]=4 136 B14R1.705 CC(=O)OC1=CC=C(C(=C1)C(=O)C)O IDF00012 [0,2,0,0,0,0|2,0,0]=4 137 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O PH003466 [0,2,0,0,0,0|0,0,1]=3 138 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC S568880 [0,2,0,0,0,0|1,0,0]=3 139 B14R1.3651 COC1=C(C=CC(=C1)NC(=S)C)SC R675458 [0,2,0,0,0,0|1,1,0]=4 140 B14R1.3651 COC1=CC=C(C=C1OC)CC(=N)N CBR01118 [0,2,0,0,0,0|1,0,1]=4 141 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)N CDS011402 [0,2,0,0,0,0|1,0,1]=4 142 B14R1.3651 COC1=CC=C(C=C1OC)CN(C)N PH007610 [0,2,0,0,0,0|1,0,1]=4 143 B14R1.3651 COC1=CC=C(C=C1OC)NC(=S)N S592250 [0,2,0,0,0,0|2,0,0]=4 144 B14R1.3237 COC1=C(C(=CC(=C1)/C=N/O)Br)OC OTV000090 [0,2,0,0,0,0|2,0,0]=4 145 B14R1.6788 C/C=C/C1=CC=C(C(=C1)OC)OCC S926698 [0,2,0,0,0,0|0,0,0]=2 146 B14R1.6788 CCOC1=CC=C(C=C1OC)/C=N/C S767115 [0,2,0,0,0,0|1,0,0]=3 147 B14R1.42 C(=C/[N+](=O)[O-])\C1=CC=C(C(=C1)OC)O S594636 [0,2,0,0,0,0|1,0,0]=3 148 B14R1.7499 CO/N=C\C1=CC(=C(C(=C1)OC)O)Br L170275 [0,2,0,0,0,0|1,0,0]=3 149 B14R1.15069 C(=O)C1=C(C=C(C(=C1)O)OC)CC=C S114804 [0,2,0,0,0,0|0,0,2]=4 150 B14R1.3236 COC1=CC(=CC(=C1O)OC)/C=N/O PH010672 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.450 COC1=CC(=C(C=C1O)OC)Br BBO000531 [0,0,1,1,0,0|2,0,0]=4 152 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CDS016409 [0,0,1,1,0,0|2,0,0]=4 153 B12R2.44 COC1=CN=C2NC=CC2=C1 ADE000892 [1,0,0,1,0,0|2,0,0]=4 154 B12R2.315 COC1=CC=CC2=C1CCN2 CDS009131 [1,0,0,1,0,0|1,0,1]=4 155 B12R2.315 COC1=CC=CC2=C1CNC2 CDS023355 [1,0,0,1,0,0|1,0,1]=4 156 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [1,0,0,1,0,0|1,0,0]=3 157 B14R2.966 CCC(=O)C1=CC=C2OCOC2=C1 CDS001550 [0,1,0,1,0,0|0,0,1]=3 158 B14R2.966 CNC(=O)C1=CC2=C(C=C1)OCO2 L170704 [0,1,0,1,0,0|1,0,0]=3 159 B14R2.966 CNC(=O)C1=CC=C2OCCC2=C1 T309532 [0,1,0,1,0,0|2,0,0]=4 160 B14R2.966 COC(=O)C1=CC=C2OCOC2=C1 S696773 [0,1,0,1,0,0|1,0,0]=3 161 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 PH015476 [0,1,0,1,0,0|1,0,1]=4 162 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 S55353 [0,1,0,1,0,0|1,0,0]=3 163 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 S170100 [0,1,0,1,0,0|1,0,0]=3 164 B14R2.1008 NC(=O)NC1=CC=C2OCOC2=C1 S732141 [0,1,0,1,0,0|2,0,0]=4 165 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 CDS016371 [0,1,0,1,0,0|2,0,0]=4 166 B14R2.991 CO/N=C/C1=CC=C2OCOC2=C1 PH009274 [0,1,0,1,0,0|1,0,0]=3 167 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 PH009886 [0,1,0,1,0,0|1,0,1]=4