0 B12R1.56 CCN1N=C(C=CC1=O)C(=O)O T326607 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,0,0,0,0,0|1,1,0]=2 2 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.56 COC1=CC(=CC=C1C)B(O)O CDS020070 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.56 COC1=CC(=CC=C1Cl)B(O)O CDS007828 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.56 COC1=CC(=CC=C1F)B(O)O CDS004272 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.56 COC1=CC(=CC=C1I)[N+](=O)[O-] S362824 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.56 COC1=NC(=CC=C1Br)C(=O)O CDS023922 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.56 NC(=O)C1=CC=C(C(=C1)C=O)F PH018747 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [1,0,0,0,0,0|2,1,0]=4 20 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [1,0,0,0,0,0|1,1,0]=3 26 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.266 CCC1=CC=CC(=C1)B(O)O SYX00037 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.266 COC1=CC(=CC=N1)B(O)O CDS007799 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.266 COC1=CC=CC(=N1)B(O)O BML00260 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [1,0,0,0,0,0|1,1,1]=4 42 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,0,0,0,0,0|1,0,1]=3 52 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.13 NC1=C(C=C(C=C1)C(=O)O)C(=O)O PH010296 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.13 O=C(O)C1=CC=C(C(=C1)B(O)O)Cl BML00167 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.49 CCC(=O)C1=CC=C(C(=C1)CCl)O S218766 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [0,1,0,0,0,0|1,0,0]=2 58 B13R1.49 COC(=O)C1=CC(=C(C=C1)Cl)CCl PH014274 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.49 COC(=O)C1=CC=C(C(=C1)CBr)Cl PH014541 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.49 COC(=O)C1=CC=C(C(=C1)CCl)C PH017877 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.49 COC1=CC(=CC=C1O)/C(=N\O)/N BOG00046 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.50 CNC1=CC(=CC=C1C)S(=O)(=O)O S432970 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.50 COC1=CC(=CC=C1O)C(C)(C)C T287008 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.298 COC1=C(C(=CC(=C1)C(=O)C)O)O PH004048 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.298 COC1=CC(=CC(=C1F)F)B(O)O CDS023186 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.298 COC1=CC(=CC(=C1O)Br)C(=O)O L170933 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CDS003720 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.354 CCOC1=CC(=CC=C1N)[N+](=O)[O-] S645893 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)F)Cl PH017273 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.651 COC1=CC(=C(C=C1Br)N)[N+](=O)[O-] S707236 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.651 COC1=CC(=C(C=C1C)Cl)B(O)O CDS023663 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.651 COC1=CC(=C(C=C1Cl)F)[N+](=O)[O-] CDS013413 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.651 COC1=CC(=C(C=C1F)Cl)B(O)O CDS023265 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC ADE000510 [0,1,0,0,0,0|1,0,0]=2 78 B13R1.3091 COC1=C(N=CC(=C1)C(=O)O)OC ADE000644 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N PH009840 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.3091 COC1=CC=C(C=C1OC)C(=S)N PH011041 [0,1,0,0,0,0|1,1,0]=3 81 B13R1.3091 COC1=CC=C(N=C1OC)C(=O)C ADE000753 [0,1,0,0,0,0|2,0,0]=3 82 B11R0.145 COC(=O)/C(=C/C=C/C(=O)O)/C S890944 [0,0,1,0,0,0|2,0,0]=3 83 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 PH010650 [0,0,0,1,0,0|3,0,0]=4 84 B13R2.430 CC(O)C1=CC=C2OCOC2=C1 CDS012449 [0,0,0,1,0,0|1,0,1]=3 85 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 S242586 [0,0,0,1,0,0|1,0,0]=2 86 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 PH010661 [0,0,0,1,0,0|1,1,0]=3 87 B13R2.430 O=C(Cl)C1=CC=C2OC=CC2=C1 CDS014745 [0,0,0,1,0,0|2,0,1]=4 88 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 T153958 [0,0,0,1,0,0|2,0,0]=3 89 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CDS021633 [0,0,0,1,0,0|1,0,1]=3 90 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 CDS015398 [0,0,0,1,0,0|1,0,0]=2 91 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CDS018249 [0,0,0,1,0,0|2,0,1]=4 92 B13R2.430 O=C(O)C1=CC=C2N=NNC2=C1 CDS011338 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.430 O=C(O)C1=CC=C2NCCC2=C1 CDS019637 [0,0,0,1,0,0|2,0,0]=3 94 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 CDS010065 [0,0,0,1,0,0|1,0,1]=3 95 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 CDS006646 [0,0,0,1,0,0|1,1,1]=4 96 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 ADE001144 [0,0,0,1,0,0|2,0,1]=4 97 B13R2.430 O=C(O)C1=CN=C2NCCC2=C1 CDS009699 [0,0,0,1,0,0|3,0,0]=4 98 B11R1.64 COC1=C(SC=C1C(=O)O)Cl CDS015144 [0,0,0,0,1,0|2,0,0]=3 99 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,0,0,0,0,1|3,0,0]=4 100 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,0,0,0,0,1|2,0,0]=3 101 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,0,0,0,0,1|2,0,0]=3 102 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,0,0,0,0,1|1,0,0]=2 103 B10R0.55 COC(=O)/C=C\C=C/C(=O)O T278475 [1,0,1,0,0,0|1,0,0]=3 104 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [2,0,0,0,0,0|1,1,0]=4 112 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [2,0,0,0,0,0|1,1,0]=4 121 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [2,0,0,0,0,0|1,0,0]=3 133 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [2,0,0,0,0,0|1,0,0]=3 146 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [2,0,0,0,0,0|1,0,1]=4 148 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [2,0,0,0,0,0|1,0,1]=4 150 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [2,0,0,0,0,0|1,0,1]=4 152 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [2,0,0,0,0,0|1,0,1]=4 154 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [2,0,0,0,0,0|0,0,1]=3 165 B12R0.156 COC(=O)/C=C/C=C(\C)/C(=O)OC S881775 [0,1,1,0,0,0|2,0,0]=4 166 B12R1.23 CC1=CC(=CC=C1N)S(=O)(=O)O T332895 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [1,1,0,0,0,0|0,0,0]=2 173 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.48 COC1=CC=C(C=C1O)B(O)O CDS019414 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.48 N#CC1=CC=C(C=C1Br)C(=O)O CDS004195 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [1,1,0,0,0,0|0,0,0]=2 191 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [1,1,0,0,0,0|0,0,0]=2 205 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.893 CC1=C(C(=CC=C1O)[N+](=O)[O-])O S861006 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)Cl PH015483 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.1005 CC1=C(C(=O)C=C(O1)C(=O)O)C T310166 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.1005 CC1=C(C=C(C=C1Cl)C(=O)O)N PH018740 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.1005 CC1=C(C=C(C=C1N)C(=O)O)N PH011653 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N CDS019647 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [1,1,0,0,0,0|0,0,0]=2 220 B12R1.1005 NC1=CC(=CC(=C1Cl)Cl)C(=O)O PH015088 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)F)F CDS022145 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [1,1,0,0,0,0|0,0,0]=2 223 B12R1.1005 O=C([O-])C1=CC(=C(C(=C1)O)O)O CDS018059 [1,1,0,0,0,0|0,0,1]=3 224 B12R1.11 COC1=CC(=CC(=C1)B(O)O)F CDS006266 [1,1,0,0,0,0|1,0,1]=4 225 B12R1.258 CC(=O)C1=CC=CC(=C1)N(C)C CDS000329 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)O CDS021061 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.258 CN(C)C1=CC(=CC=N1)C(=O)O CDS002256 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)O CDS011144 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.258 O=C(O)C1=CC(=CC=C1)[N+](=O)[O-] S286281 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.279 CCOC1=CC(=CC=C1)C(=S)N BOG00040 [1,1,0,0,0,0|1,1,0]=4 231 B12R1.279 CCOC1=CC=CC(=C1)[N+](=O)[O-] S519375 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [1,1,0,0,0,0|0,0,0]=2 233 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.435 COC1=CC(=CC=C1)/C(=N/O)/C PH010759 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.435 COC1=CC(=NC=C1)C(=O)NN ADE000342 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [1,1,0,0,0,0|0,0,1]=3 239 B12R1.435 COC1=CC=CC(=N1)C(=O)NN ADE000352 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.436 COC1=CC(=CC=C1)C(C)(C)O PH010478 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [1,1,0,0,0,0|0,0,0]=2 242 B12R1.440 COC1=CC=CC(=C1Br)[N+](=O)[O-] TMT00303 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.440 COC1=CC=CC(=C1N)[N+](=O)[O-] CDS020857 [1,1,0,0,0,0|1,0,1]=4 244 B12R1.440 COC1=CC=CC(=C1O)B(O)O CDS006533 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.440 N=CC1=C(C(=CC=C1)C(=O)O)O S172464 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.453 COC1=CC=C(C(=C1)B(O)O)Cl BML00130 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [1,1,0,0,0,0|0,0,0]=2 249 B12R1.453 COC1=CC=C(C(=C1)[N+](=O)[O-])I S544981 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [1,1,0,0,0,0|1,1,0]=4 251 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [1,1,0,0,0,0|0,1,0]=3 252 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl TMT00282 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.78 COC1=C(N=C(C=C1)C=O)OC ADE000507 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.78 COC1=C(N=C(C=C1)CO)OC ADE000517 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.78 COC1=C(N=CC(=C1)C=O)OC ADE000511 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.78 COC1=C(N=CC(=C1)CO)OC ADE000519 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.270 C(=O)C1=CC=C(C(=C1)CC=C)O CBR00234 [1,1,0,0,0,0|1,0,1]=4 259 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [1,1,0,0,0,0|0,0,0]=2 261 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [1,1,0,0,0,0|0,0,0]=2 262 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [1,1,0,0,0,0|0,0,1]=3 263 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [1,1,0,0,0,0|0,0,1]=3 264 B12R1.449 C(=O)C1=C(C=C(C(=C1)OC)O)Br S107026 [1,1,0,0,0,0|0,0,0]=2 265 B12R1.449 COC1=C(C=C(C(=C1)C#N)Br)O VBP00086 [1,1,0,0,0,0|1,0,1]=4 266 B14R1.705 CC(=O)OC1=CC=C(C(=C1)C(=O)C)O IDF00012 [0,1,0,0,0,1|2,0,0]=4 267 B14R1.3405 COC(=O)CC1=CC(=C(C=C1)O)C=O ASX00122 [0,1,0,0,0,1|2,0,0]=4 268 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O PH003466 [0,1,0,0,0,1|0,0,0]=2 269 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC S568880 [0,1,0,0,0,1|1,0,0]=3 270 B14R1.3651 COC1=CC=C(C=C1OC)CC(=N)N CBR01118 [0,1,0,0,0,1|2,0,0]=4 271 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)N CDS011402 [0,1,0,0,0,1|1,0,0]=3 272 B14R1.3651 COC1=CC=C(C=C1OC)NC(=S)N S592250 [0,1,0,0,0,1|1,1,0]=4 273 B14R1.12 CC(C)(C)C1=CC(=CC=C1O)C(=O)O CDS014273 [0,2,0,0,0,0|1,0,0]=3 274 B14R1.31 COC1=C(C=C(C=C1)C(=O)O)B(O)O CDS020936 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.6035 CC(=O)C1=C(C=C(C(=C1)C(C)C)O)C S431842 [0,2,0,0,0,0|2,0,0]=4 276 B14R1.44 COC1=CC(=CC=C1O)C(OC)OC S291404 [0,2,0,0,0,0|0,0,2]=4 277 B14R1.436 CCCC1=CC(=CC=C1O)C(=O)OC CDS004406 [0,2,0,0,0,0|1,0,0]=3 278 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [0,2,0,0,0,0|0,0,0]=2 279 B14R1.1864 C#CC(O)C1=CC=C(C(=C1)OC)OC R149942 [0,2,0,0,0,0|1,0,1]=4 280 B14R1.1864 COC(=O)C1=CC(=C(C=C1)OC)CCl PH014453 [0,2,0,0,0,0|2,0,0]=4 281 B14R1.1864 COC(=O)C1=NC(=C(C=C1)OC)OC ADE000583 [0,2,0,0,0,0|1,0,0]=3 282 B14R1.1864 COC1=C(C=C(C=C1)C(O)C#N)OC PH010389 [0,2,0,0,0,0|1,0,1]=4 283 B14R1.1864 COC1=CC=C(C=C1OC)/C(=N/O)/C PH004190 [0,2,0,0,0,0|1,0,0]=3 284 B14R1.2283 COC1=CC(=C(C=C1O)Br)C(=O)CN S105368 [0,2,0,0,0,0|1,0,0]=3 285 B14R1.4114 C(=O)C1=C(C(=CC=C1O)C(=O)OC)O S849863 [0,2,0,0,0,0|2,0,0]=4 286 B14R1.3654 COC1=C(C=C(C=C1)S(=O)(=O)O)OC PH015825 [0,2,0,0,0,0|1,0,0]=3 287 B14R1.3654 COC1=CC=C(C=C1OC)S(=O)(=O)O PH016845 [0,2,0,0,0,0|1,0,0]=3 288 B14R1.350 COC1=C(C(=CC(=C1)C(=O)O)Br)OC S839434 [0,2,0,0,0,0|0,0,0]=2 289 B14R1.350 COC1=CC(=CC(=C1OC)I)C(=O)O R538868 [0,2,0,0,0,0|0,0,0]=2 290 B14R1.362 CCC1=CC(=CC(=C1O)CC)C(=O)O PH008933 [0,2,0,0,0,0|1,0,0]=3 291 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)N PH010644 [0,2,0,0,0,0|2,0,0]=4 292 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)O PH011462 [0,2,0,0,0,0|1,0,0]=3 293 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)N S355542 [0,2,0,0,0,0|1,0,0]=3 294 B14R1.362 COC1=CC(=CC(=C1O)OC)[N+](=O)[O-] PH007916 [0,2,0,0,0,0|1,0,1]=4 295 B14R1.441 C=CCC1=C(C=CC(=C1)C(=O)O)OC CBR00214 [0,2,0,0,0,0|1,0,1]=4 296 B14R1.676 CC(=O)NC1=C(C=CC(=C1)C(=O)O)C S454893 [0,2,0,0,0,0|2,0,0]=4 297 B14R1.676 CC(=O)OC1=C(C=CC(=C1)C(=O)O)F CVT00072 [0,2,0,0,0,0|1,0,0]=3 298 B14R1.1851 COC1=C(C=C(C(=C1)C)C(=O)C)OC S883166 [0,2,0,0,0,0|1,0,0]=3 299 B14R1.1851 COC1=C(C=C(C(=C1)N)C(=O)N)OC BBO000416 [0,2,0,0,0,0|1,0,0]=3 300 B14R1.1851 COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC PH006789 [0,2,0,0,0,0|1,0,1]=4 301 B14R1.1851 COC1=CC(=C(C=C1OC)C(=O)C)N R288713 [0,2,0,0,0,0|1,0,0]=3 302 B14R1.1851 COC1=CC(=C(C=C1OC)C(=S)N)N BOG00125 [0,2,0,0,0,0|1,1,0]=4 303 B14R1.1851 COC1=CC(=C(C=C1OC)[N+](=O)[O-])C PH011110 [0,2,0,0,0,0|1,0,1]=4 304 B14R1.1851 COC1=CC(=C(C=C1OC)[N+](=O)[O-])I S843962 [0,2,0,0,0,0|1,0,1]=4 305 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)C S860697 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.2288 COC1=CC(=C(C=C1C(=O)O)OC)Cl L497622 [0,2,0,0,0,0|1,0,0]=3 307 B14R1.2023 COC1=C(C(=C(C=C1)C(=O)O)N)OC PH008365 [0,2,0,0,0,0|0,0,0]=2 308 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,0,1,1,0,0|1,0,1]=4 309 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [1,0,0,1,0,0|1,0,1]=4 310 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [1,0,0,1,0,0|2,0,0]=4 311 B12R2.44 NNC1=CC=C2OCOC2=C1 CBR00760 [1,0,0,1,0,0|2,0,0]=4 312 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 CDS009176 [1,0,0,1,0,0|2,0,0]=4 313 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [1,0,0,1,0,0|1,0,1]=4 314 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 S55353 [0,0,0,1,0,1|1,0,0]=3 315 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 S170100 [0,0,0,1,0,1|1,1,0]=4 316 B14R2.1008 NC(=O)NC1=CC=C2OCOC2=C1 S732141 [0,0,0,1,0,1|1,0,0]=3 317 B14R2.1008 O=C(O)CC1=CC=C2OC=NC2=C1 CDS011125 [0,0,0,1,0,1|1,0,1]=4 318 B14R2.1197 COC1=CC2=C(C=C1N)NC(=O)N2 CBR01626 [0,0,0,1,0,1|2,0,0]=4 319 B14R2.24358 CN1C=CC2=CC=C(C=C12)C(=O)O CDS018843 [0,1,0,1,0,0|2,0,0]=4 320 B14R2.24358 CN1N=CC2=CC=C(C=C12)C(=O)O CDS023377 [0,1,0,1,0,0|2,0,0]=4 321 B14R2.966 CCC(=O)C1=CC=C2OCOC2=C1 CDS001550 [0,1,0,1,0,0|1,0,0]=3 322 B14R2.966 CNC(=O)C1=CC2=C(C=C1)OCO2 L170704 [0,1,0,1,0,0|1,0,0]=3 323 B14R2.966 CNC(=O)C1=CC=C2OCCC2=C1 T309532 [0,1,0,1,0,0|2,0,0]=4 324 B14R2.966 COC(=O)C1=CC=C2OCOC2=C1 S696773 [0,1,0,1,0,0|0,0,0]=2 325 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 PH015476 [0,1,0,1,0,0|1,0,0]=3 326 B14R2.3125 O=S(=O)(Cl)C1=CC2=C(C=C1)OCO2 CDS015940 [0,1,0,1,0,0|1,0,1]=4 327 B14R2.3125 O=S(=O)(O)C1=CC=C2OCCC2=C1 PH016324 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.601 CC(=O)C1=CC2=C(C=C1)OC(C2)C CDS015109 [0,1,0,1,0,0|2,0,0]=4 329 B14R2.601 CC1=CC2=CC(=CC=C2O1)C(=O)O CDS005661 [0,1,0,1,0,0|1,0,0]=3 330 B14R2.601 CC1=NC2=C(N1)C=CC(=C2)C(=O)O PH005188 [0,1,0,1,0,0|2,0,0]=4 331 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O CDS009436 [0,1,0,1,0,0|1,0,0]=3 332 B14R2.601 CC1=NC2=CC=C(C=C2S1)C(=O)O CDS014069 [0,1,0,1,0,0|1,1,0]=4 333 B14R2.601 CC1CC2=CC(=CC=C2O1)C(=O)O CDS014711 [0,1,0,1,0,0|1,0,0]=3 334 B14R2.601 O=C1NC2=CC=C(C=C2O1)C(=O)O PH006842 [0,1,0,1,0,0|1,0,1]=4 335 B14R2.781 NC(=O)C1=CC2=C(C=C1)OCCO2 EME00451 [0,1,0,1,0,0|1,0,0]=3 336 B14R2.781 O=C(Cl)C1=CC2=C(C=C1)OCCO2 PH009729 [0,1,0,1,0,0|1,0,0]=3 337 B14R2.781 O=C(O)C1=CC=C2CCNCC2=C1 CDS009795 [0,1,0,1,0,0|2,0,0]=4 338 B14R2.781 O=C(O)C1=CC=C2CNCCC2=C1 CDS009405 [0,1,0,1,0,0|2,0,0]=4 339 B14R2.781 O=C(O)C1=CN=C2OCCCC2=C1 ADE001305 [0,1,0,1,0,0|2,0,0]=4 340 B14R2.781 O=C(O)C1=CN=C2OCCOC2=C1 ADE000035 [0,1,0,1,0,0|1,0,0]=3 341 B14R2.624 CC(=O)C1=CC2=C(C=C1C)OCO2 S244589 [0,1,0,1,0,0|1,0,0]=3 342 B14R2.624 CC(=O)C1=CC2=C(C=C1C)OCO2 S313661 [0,1,0,1,0,0|1,0,0]=3 343 B14R2.624 NC1=CC2=C(C=C1[N+](=O)[O-])OCO2 S102156 [0,1,0,1,0,0|1,0,1]=4 344 B14R2.624 O=C(O)C1=CC2=C(C=C1Br)OCO2 S860115 [0,1,0,1,0,0|0,0,0]=2 345 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [1,0,0,0,1,0|2,0,0]=4 346 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [1,0,0,0,1,0|2,0,0]=4 347 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [1,0,0,0,1,0|2,0,0]=4 348 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [1,0,0,0,1,0|2,0,0]=4 349 B10R1.31 COC1=NOC(=C1)C(=O)O CDS005261 [1,0,0,0,1,0|2,0,0]=4 350 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [1,0,0,0,1,0|1,1,0]=4 351 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [1,0,0,0,1,0|2,0,0]=4 352 B10R1.39 COC1=C(OC=C1)C(=O)O T284718 [1,0,0,0,1,0|1,0,0]=3 353 B10R1.39 COC1=CSC=C1C(=O)O CDS015143 [1,0,0,0,1,0|1,0,0]=3 354 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [1,0,0,0,0,1|2,0,0]=4 355 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [1,0,0,0,0,1|1,0,0]=3 356 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [1,0,0,0,0,1|1,0,0]=3 357 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [1,0,0,0,0,1|1,1,0]=4 358 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [1,0,0,0,0,1|1,0,0]=3 359 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [1,0,0,0,0,1|1,0,0]=3 360 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [1,0,0,0,0,1|1,1,0]=4 361 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [1,0,0,0,0,1|1,1,0]=4 362 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [1,0,0,0,0,1|1,0,0]=3 363 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [1,0,0,0,0,1|1,1,0]=4 364 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [1,0,0,0,0,1|0,0,1]=3 365 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,0,0,0,1,1|2,0,0]=4 366 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,0,0,0,1,1|2,0,0]=4 367 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,0,0,0,1,1|2,0,0]=4 368 B12R1.87 COC1=C(C=CC=C1C(=O)O)F CDS011471 [0,0,0,0,1,1|1,0,0]=3 369 B14R1.42 C(=C/[N+](=O)[O-])\C1=CC=C(C(=C1)OC)O S594636 [0,0,0,0,0,2|1,0,1]=4