0 B11R1.3 C#CC1=CC=C(C=C1)B(O)O CDS007602 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,0,0,0,0,0|2,1,0]=3 4 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,0,0,0,0,0|2,1,0]=3 5 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 CNC1=CC=C(C=N1)B(O)O CDS023687 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.3 COC1=CC=C(C=N1)[N+](=O)[O-] L100137 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.3 COC1=NC=C(C=N1)B(O)O SYX00276 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,0,0,0,0,0|1,2,0]=3 18 B11R1.3 CSC1=CC=C(C=N1)B(O)O SYX00028 [0,0,0,0,0,0|2,1,1]=4 19 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S201537 [0,0,0,0,0,0|2,1,1]=4 22 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S985945 [0,0,0,0,0,0|2,1,1]=4 23 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,0,0,0,0,0|1,1,1]=4 36 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,0,0,0,0,0|0,0,2]=3 52 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,0,0|1,1,0]=3 61 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,0,0,0,0,0|1,0,1]=3 63 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,0,0,0,0,0|1,0,2]=4 71 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.5 CCC1=CC=C(C=C1)/C(=N\O)/N BOG00048 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N EME00409 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,1,0,0,0,0|1,1,0]=3 78 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,1,0,0,0,0|0,1,0]=2 81 B12R1.5 COC(=O)C1=CC=C(N=C1)C=O CDS016358 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.5 COC1=CC=C(C=C1)C(=NO)N PH009929 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,1,0,0,0,0|1,1,0]=3 87 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [0,1,0,0,0,0|1,1,0]=3 90 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CN PH017796 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.5 N#CC1=CC=C(C=C1)C(=O)N[O-] S302767 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.6 CCC1=CC=C(C=C1)P(=O)(O)O S915955 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)Cl R436526 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.6 CNC1=CC=C(C=C1)S(=O)(=O)O R435244 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.6 COC1=CC=C(C=C1)P(=O)(O)O S545821 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C S454737 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)[S-] S47830 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.6 COC1=CC=C(C=C1)[Te](I)(I)I S949434 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.6 COC1=CC=C(C=N1)S(=O)(=O)Cl CDS009830 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.6 CSC1=CC=C(C=C1)S(=O)(=O)Cl CDS006998 [0,1,0,0,0,0|1,1,1]=4 103 B12R1.6 N#CC1=CC=C(C=C1)S(=O)(=O)O S128147 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.48 CCC1=CC=C(C=C1Cl)[N+](=O)[O-] S770396 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.48 CCC1=CC=C(C=C1N)[N+](=O)[O-] S752118 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.48 CNC1=CC=C(C=C1C)[N+](=O)[O-] PH011346 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.48 CNC1=CC=C(C=C1Cl)[N+](=O)[O-] PH011348 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,1,0,0,0,0|0,0,0]=1 111 B12R1.48 COC1=C(C=C(C=C1)C(=S)N)Br OTV000260 [0,1,0,0,0,0|1,1,0]=3 112 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.48 COC1=CC=C(C=C1Cl)S(=O)[O-] S812595 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.48 COC1=CC=C(C=C1Cl)[N+](=O)[O-] PH010986 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.48 COC1=CC=C(C=C1I)[N+](=O)[O-] S362816 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.48 COC1=CC=C(C=C1O)B(O)O CDS019414 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.48 COC1=CC=C(C=C1[O-])[N+](=O)[O-] CDS013563 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.48 COC1=NC=C(C=C1C)B(O)O CDS019714 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.48 N#CC1=CC=C(C=C1Br)C(=O)O CDS004195 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [0,1,0,0,0,0|1,0,1]=3 123 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.113 CC(=O)C1=CC=C(C=C1)N=[N+]=[N-] CDS003883 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.113 CCNC1=NC=C(C=N1)C(=O)O CBR00496 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N VBP00035 [0,1,0,0,0,0|1,1,0]=3 128 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CDS010146 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,1,0,0,0,0|0,0,0]=1 130 B12R1.113 COCC1=CC=C(C=C1)[N+](=O)[O-] S648310 [0,1,0,0,0,0|1,0,1]=3 131 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [0,1,0,0,0,0|0,1,0]=2 133 B12R1.113 NCCC1=CC=C(C=C1)[N+](=O)[O-] OTV000173 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O CDS013712 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.256 CC(Cl)C1=CC=C(C=C1)[N+](=O)[O-] S799831 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.256 CC(O)C1=CC=C(C=C1)C(C)O R581933 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O CBR01958 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.256 CS(=O)C1=CC=C(C=C1)B(O)O CDS001613 [0,1,0,0,0,0|1,1,1]=4 145 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O CDS004491 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] S175684 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.256 O=C(S)C1=CC=C(C=C1)C(=O)S S427888 [0,1,0,0,0,0|2,1,0]=4 148 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.452 COC1=CC=C(C(=C1)Cl)B(O)O BML00253 [0,1,0,0,0,0|1,0,1]=3 150 B12R1.452 COC1=CC=C(C(=C1)F)B(O)O ANV00229 [0,1,0,0,0,0|1,0,1]=3 151 B12R1.452 COC1=CC=C(C(=C1)I)[N+](=O)[O-] ANV00227 [0,1,0,0,0,0|1,0,1]=3 152 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,1,0,0,0,0|1,0,0]=2 153 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.452 COC1=CC=C(C(=N1)F)B(O)O CDS024136 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.452 CSC1=NC(=C(C=N1)C(=O)O)O JRD0446 [0,1,0,0,0,0|2,1,0]=4 157 B12R1.452 CSC1=NC=C(C(=N1)N)C(=O)O TMT00575 [0,1,0,0,0,0|2,1,0]=4 158 B12R1.452 CSC1=NC=C(C(=N1)N)C(=O)O VBP00129 [0,1,0,0,0,0|2,1,0]=4 159 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,0,0,0,1,0|2,0,0]=3 160 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,0,0,0,1,0|2,0,0]=3 161 B10R1.31 CCC1=NC(=CO1)C(=O)O CDS009034 [0,0,0,0,1,0|3,0,0]=4 162 B10R1.31 CCC1=NOC(=C1)C(=O)O CDS009381 [0,0,0,0,1,0|3,0,0]=4 163 B10R1.31 CCN1C=C(C=N1)C(=O)O CDS008621 [0,0,0,0,1,0|3,0,0]=4 164 B10R1.31 COC1=NOC(=C1)C(=O)O CDS005261 [0,0,0,0,1,0|2,0,0]=3 165 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [0,0,0,0,1,0|1,1,0]=3 166 B10R1.31 N#CC1=CNC(=C1)C(=O)O CDS006896 [0,0,0,0,1,0|3,0,0]=4 167 B10R1.31 NCC1=CC=C(S1)C(=O)O PH015546 [0,0,0,0,1,0|3,0,0]=4 168 B10R1.31 O=CC1=CC=C(N1)C(=O)O CDS004821 [0,0,0,0,1,0|3,0,0]=4 169 B10R1.31 O=CC1=CC=C(O1)C(=O)O CDS000126 [0,0,0,0,1,0|3,0,0]=4 170 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,0,0,0,0,1|3,0,0]=4 171 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [0,0,0,0,0,1|3,0,0]=4 172 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,0,0,0,0,1|3,0,0]=4 173 B12R1.4 CCC1=CC=C(C=C1)NC(=N)N S614599 [0,0,0,0,0,1|3,0,0]=4 174 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,0,0,0,0,1|2,0,0]=3 175 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,0,0,0,0,1|2,0,0]=3 176 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N PH011444 [0,0,0,0,0,1|2,1,0]=4 177 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,0,0,0,0,1|2,0,0]=3 178 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,0,0,0,0,1|1,0,0]=2 179 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,0,0,0,0,1|3,0,0]=4 180 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,0,0,0,0,1|2,0,0]=3 181 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,0,0,0,0,1|1,0,0]=2 182 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,0,0,0,0,1|1,1,0]=3 183 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,0,0,0,0,1|2,0,1]=4 184 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,0,0,0,0,1|1,1,0]=3 185 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,0,0,0,0,1|1,1,0]=3 186 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,0,0,0,0,1|3,0,0]=4 187 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [0,0,0,0,0,1|0,0,0]=1 188 B9R0.13 C/C=C/C=C(\C#N)/C(=O)O PH010529 [1,0,1,0,0,0|1,0,1]=4 189 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|0,1,1]=4 192 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|1,0,1]=4 197 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [2,0,0,0,0,0|1,0,1]=4 200 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|1,1,0]=4 202 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|1,1,0]=4 203 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,0,0,0,0,0|1,0,1]=4 206 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [2,0,0,0,0,0|0,0,2]=4 212 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,0,0,0,0,0|0,0,1]=3 213 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [2,0,0,0,0,0|1,0,0]=3 214 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [1,1,0,0,0,0|0,0,1]=3 220 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,1,0,0,0,0|0,1,1]=4 221 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,1,0,0,0,0|0,0,1]=3 222 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.279 CC1=CC(=CC=C1C=O)C#N CDS024329 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.279 COC1=C(N=C(C=C1)C=O)Br CDS023947 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [1,1,0,0,0,0|0,0,0]=2 229 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|0,0,1]=3 232 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,1,0,0,0,0|0,1,1]=4 234 B11R1.279 COC1=CC=C(N=C1Br)CO ADE000219 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.279 COC1=CNC(=CC1=O)CO L307963 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.279 COC1=COC(=CC1=O)CO S231703 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)Br PH010299 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] CDS021472 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R428396 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R461695 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R646989 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R647012 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R662836 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R786624 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S22714 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S241970 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S244112 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283258 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283304 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S292257 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S312258 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S384585 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S47512 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S487325 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638765 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638862 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S64670 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S922897 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] T306266 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.19 CC1=CC=C(C=N1)S(=O)(=O)O PH015233 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)O S573213 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [1,1,0,0,0,0|1,1,0]=4 297 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [1,1,0,0,0,0|1,1,0]=4 301 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [1,1,0,0,0,0|1,1,0]=4 307 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [1,1,0,0,0,0|0,0,1]=3 339 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [1,1,0,0,0,0|0,0,0]=2 348 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [1,1,0,0,0,0|0,0,0]=2 361 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [1,1,0,0,0,0|0,0,0]=2 362 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [1,1,0,0,0,0|0,1,0]=3 363 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.50 COC1=NC(=C(S1)C(=O)O)C CDS009327 [0,1,0,0,1,0|2,0,0]=4 366 B11R1.124 CCSC1=CC=C(S1)C(=O)O CDS006005 [0,1,0,0,1,0|1,1,0]=4 367 B11R1.124 COCC1=CC=C(S1)C(=O)O T312819 [0,1,0,0,1,0|1,0,0]=3 368 B11R1.124 COCN1C=CC(=N1)C(=O)O T326356 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.124 CSCC1=CC=C(O1)C(=O)O CDS004925 [0,1,0,0,1,0|1,1,0]=4 370 B11R1.175 CC(=O)C1=CC=C(O1)C(=O)O PH008438 [0,1,0,0,1,0|2,0,0]=4 371 B13R1.4 COC1=CC=C(C=C1)CP(=O)(O)O PH002859 [0,1,0,0,0,1|1,0,0]=3 372 B13R1.5 C(=O)/C(=C/C1=CC=C(C=C1)OC)/C S941565 [0,1,0,0,0,1|1,0,0]=3 373 B13R1.5 C=CC1=CC=C(C=C1)CC(=O)OC PH008533 [0,1,0,0,0,1|1,0,1]=4 374 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,1,0,0,0,1|1,0,0]=3 375 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S188816 [0,1,0,0,0,1|2,0,0]=4 376 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S678600 [0,1,0,0,0,1|2,0,0]=4 377 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,1,0,0,0,1|1,0,0]=3 378 B13R1.5 CNC(=O)OC1=CC=C(C=C1)SC S791954 [0,1,0,0,0,1|1,1,0]=4 379 B13R1.5 CNC(=S)NC1=CC=C(C=C1)OC PH010048 [0,1,0,0,0,1|1,1,0]=4 380 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [0,1,0,0,0,1|0,0,0]=2 381 B13R1.5 COC1=CC=C(C=C1)CC(C)NO PH012699 [0,1,0,0,0,1|1,0,1]=4 382 B13R1.5 COC1=CC=C(C=C1)CC(N)CO PH004943 [0,1,0,0,0,1|1,0,1]=4 383 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S188832 [0,1,0,0,0,1|1,0,0]=3 384 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S380121 [0,1,0,0,0,1|1,0,0]=3 385 B13R1.5 COC1=CC=C(C=C1)NC(=O)NO S649694 [0,1,0,0,0,1|0,0,0]=2 386 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN S542741 [0,1,0,0,0,1|1,1,0]=4 387 B13R1.5 COC1=CC=C(C=C1)OC(=O)CCl PH008790 [0,1,0,0,0,1|1,0,0]=3 388 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Br S751855 [0,1,0,0,0,1|2,0,0]=4 389 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Cl S752126 [0,1,0,0,0,1|2,0,0]=4 390 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,1,0,0,0,1|1,0,0]=3 391 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,1,0,0,0,1|0,0,0]=2 392 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [0,1,0,0,0,1|2,0,0]=4 393 B13R1.36 COC1=CC=C(C=C1)C(Br)C(=O)O PH016225 [0,1,0,0,0,1|0,0,0]=2 394 B13R1.36 COC1=CC=C(C=C1)N(C)C(=S)C S512346 [0,1,0,0,0,1|1,1,0]=4 395 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)N OMC00018 [0,1,0,0,0,1|1,0,0]=3 396 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)C ASX00070 [0,1,0,0,0,1|2,0,0]=4 397 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)O CDS018466 [0,1,0,0,0,1|1,0,0]=3 398 B13R1.142 CCOC1=CC=C(C=C1)NC(=N)N S862428 [0,1,0,0,0,1|2,0,0]=4 399 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N CDS021482 [0,1,0,0,0,1|1,0,0]=3 400 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N R610690 [0,1,0,0,0,1|1,1,0]=4 401 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N S205133 [0,1,0,0,0,1|1,1,0]=4 402 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)N S730688 [0,1,0,0,0,1|2,0,0]=4 403 B13R1.585 CC(=O)NC1=CC=C(C=C1)N(C)C S875422 [0,1,0,0,0,1|2,0,0]=4 404 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C S412341 [0,1,0,0,0,1|2,0,0]=4 405 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O S888613 [0,1,0,0,0,1|1,0,0]=3 406 B13R1.585 NC(=O)C1=CC=C(C=C1)CC(=O)O CDS024501 [0,1,0,0,0,1|2,0,0]=4 407 B13R1.585 O=C(O)CC1=CC=C(C=C1)B(O)O BML00248 [0,1,0,0,0,1|2,0,0]=4 408 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [0,1,0,0,0,1|1,0,0]=3 409 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N CDS004189 [0,1,0,0,0,1|1,0,0]=3 410 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,1,0,0,0,1|1,0,0]=3 411 B13R1.95 COC(=O)C1=CC=C(C=C1N)OC CDS022292 [0,2,0,0,0,0|0,0,0]=2 412 B13R1.95 COC1=CC=C(C(=C1)F)C(=O)CBr PH015015 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.95 COC1=CC=C(C(=C1)O)C(=O)CCl R462276 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN PH010506 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.139 COC(=O)C1=CC=C(C=C1)NC=O PH006846 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.187 CNS(=O)(=O)C1=CC=C(C=C1)OC PH005144 [0,2,0,0,0,0|1,0,1]=4 417 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN BBO000391 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.187 COC1=CC=C(C=C1)S(=O)(=O)NN S172073 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.452 C/C=C/C(=O)C1=CC=C(C=C1)OC PH007387 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC S535753 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr CDS001471 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN CDS011342 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.452 CNCC(O)C1=CC=C(C=C1)OC PH015261 [0,2,0,0,0,0|1,0,1]=4 424 B13R1.452 COC1=CC=C(C=C1)/C(=C\C#N)/Cl JRD0333 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.452 COC1=CC=C(C=C1)C(=O)/C=C/[O-] S732354 [0,2,0,0,0,0|0,0,1]=3 426 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl T276391 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.452 COC1=CC=C(C=C1)C(N)CCO BBO000755 [0,2,0,0,0,0|1,0,1]=4 428 B13R1.452 COC1=CC=C(C=C1)[C@@H](C)N=C=O CDS019610 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.452 CSC1=CC=C(C=C1)C(=O)CC#N JRD0441 [0,2,0,0,0,0|1,1,0]=4 430 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CCl OTV000348 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)NN PH011075 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(C)C OTV000602 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C ANV00324 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)CBr CDS005074 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.537 CNC(=O)C1=CC=C(C=C1)C(=O)O CDS015918 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.537 COC(=O)C1=CC=C(C=C1)N(C)C PH011777 [0,2,0,0,0,0|1,0,0]=3 437 B13R1.537 COC(=O)C1=CC=C(C=N1)C(=O)O CDS005364 [0,2,0,0,0,0|1,0,0]=3 438 B13R1.537 N/C(=N/O)/C1=CC=C(C=C1)C(=O)O VBP00090 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.537 O=C(CO)C1=CC=C(C=C1)[N+](=O)[O-] KOB0089 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.3088 COC(=O)C1=CC=C(C(=C1)C)CN PH019556 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.3088 COC1=CC=C(C=C1O)/C(=N/O)/C S80390 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [0,2,0,0,0,0|1,0,1]=4 446 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl CDS002526 [0,2,0,0,0,0|1,0,1]=4 447 B13R1.38 COC1=CC=C(C=C1C)S(=O)(=O)Cl CDS006831 [0,2,0,0,0,0|1,0,1]=4 448 B13R1.140 CCCC1=CC=C(C=C1)S(=O)(=O)O PH015874 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.140 CCOC1=CC=C(C=C1)P(=O)(O)O S558303 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.140 CCOC1=CC=C(C=C1)S(=O)(=O)Cl OTV000319 [0,2,0,0,0,0|1,0,1]=4 451 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)C S552089 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)O PH008123 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O S39099 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N EME00434 [0,2,0,0,0,0|1,1,0]=4 455 B13R1.338 O=C(O)C1=CC=C(C=C1)C(Cl)(Cl)Cl PH007229 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.120 C=C(C)C1=CC=C(C=C1N)C(=O)O S336912 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)N(C)C OTV000739 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.120 CN(C)C1=CC=C(C(=C1)O)C(=O)O S462195 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])F L446572 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])I ANV00138 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.120 O=C(O)C1=CC=C(C(=C1)Cl)B(O)O BML00166 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.120 O=C(O)C1=CC=C(C(=C1)F)B(O)O CDS022752 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.120 O=C(O)C1=CC=C(C=C1Cl)B(O)O BML00159 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.144 CCNC1=CC=C(C=C1N)C(=O)O R461660 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.652 COC1=C(C=C(C(=C1)C)[N+](=O)[O-])C PH009429 [0,2,0,0,0,0|1,0,1]=4 466 B13R1.652 COC1=CC(=C(C=C1Br)[N+](=O)[O-])C PH004704 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.652 COC1=CC(=C(C=C1Cl)B(O)O)F CDS022071 [0,2,0,0,0,0|1,0,1]=4 468 B13R1.652 COC1=CC(=C(C=C1F)[N+](=O)[O-])C PH009435 [0,2,0,0,0,0|1,0,1]=4 469 B13R1.3091 COC1=C(C=C(C=C1)[N+](=O)[O-])C#N EME00311 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC ADE000510 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.3091 COC1=C(N=CC(=C1)C(=O)O)OC ADE000644 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N PH009840 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.3091 COC1=CC=C(C=C1OC)C(=S)N PH011041 [0,2,0,0,0,0|1,1,0]=4 474 B13R1.3091 COC1=CC=C(N=C1OC)C(=O)C ADE000753 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)C)O)O TMT00632 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.3380 COC1=C(C=C(C=C1Cl)B(O)O)Cl CDS018264 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.74 C#CCOC1=CC=C(C=C1)[N+](=O)[O-] CDS021647 [0,2,0,0,0,0|1,0,1]=4 478 B13R1.74 CC(=O)C1=CC=C(C=C1)NCCO ANV00343 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.74 CCCCC1=NC=C(C=C1)C(=O)O PH018553 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)C OTV000882 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.74 CCOCC1=CC=C(C=C1)C(=O)O S283428 [0,2,0,0,0,0|0,0,0]=2 482 B13R1.74 CNCCC1=CC=C(C=C1)C(=O)O PH013543 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.74 COCOC1=CC=C(C=C1)C(=O)C S937363 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.74 COCOC1=CC=C(C=C1)C(=O)O CBR02123 [0,2,0,0,0,0|0,0,0]=2 485 B13R1.74 COCOC1=CC=C(C=C1)C(C)O S937037 [0,2,0,0,0,0|1,0,1]=4 486 B13R1.74 N#CCOC1=CC=C(C=C1)B(O)O BML00202 [0,2,0,0,0,0|1,0,1]=4 487 B13R1.74 N#CCOC1=CC=C(C=C1)B(O)O CDS019713 [0,2,0,0,0,0|1,0,1]=4 488 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCBr PH002103 [0,2,0,0,0,0|0,0,0]=2 489 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCCl PH002310 [0,2,0,0,0,0|0,0,0]=2 490 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCO PH003001 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.74 O=[N+]([O-])C1=CC=C(C=C1)OCCBr PH010955 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.74 O=[N+]([O-])C1=CC=C(C=C1)OCCO S605328 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.385 CCOC1=CC=C(C(=C1)O)C(=O)O S438081 [0,2,0,0,0,0|0,0,0]=2 494 B13R1.99 COC1=CC(=C(C=C1)C(=S)N)OC JRD0785 [0,2,0,0,0,0|1,1,0]=4 495 B13R1.99 COC1=CC=C(C(=C1)C=O)[N+](=O)[O-] CDS015061 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.99 COC1=CC=C(C(=C1)OC)C(C)O PH017427 [0,2,0,0,0,0|1,0,1]=4 497 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,0,1,1,0,0|2,0,0]=4 498 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,0,1,1,0,0|2,0,0]=4 499 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,0,0,1,0,1|2,0,0]=4 500 B13R2.2121 COC1=CC=C2SC(=NC2=C1)N CDS014859 [0,0,0,1,0,1|2,0,0]=4 501 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 R462292 [0,1,0,1,0,0|0,0,0]=2 502 B13R2.2130 COC1=CC=C2C(=O)NCC2=C1 CDS009260 [0,1,0,1,0,0|1,0,0]=3 503 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 PH010650 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.430 CC(O)C1=CC=C2OCOC2=C1 CDS012449 [0,1,0,1,0,0|1,0,1]=4 505 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 S242586 [0,1,0,1,0,0|1,0,0]=3 506 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 PH010661 [0,1,0,1,0,0|1,1,0]=4 507 B13R2.430 O=C(Cl)C1=CC=C2OC=CC2=C1 CDS014745 [0,1,0,1,0,0|1,0,1]=4 508 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 T153958 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CDS021633 [0,1,0,1,0,0|0,0,1]=3 510 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 CDS015398 [0,1,0,1,0,0|0,0,0]=2 511 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CDS018249 [0,1,0,1,0,0|1,0,1]=4 512 B13R2.430 O=C(O)C1=CC=C2N=NNC2=C1 CDS011338 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.430 O=C(O)C1=CC=C2NCCC2=C1 CDS019637 [0,1,0,1,0,0|1,0,0]=3 514 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 CDS010065 [0,1,0,1,0,0|0,0,1]=3 515 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 CDS006646 [0,1,0,1,0,0|0,1,1]=4 516 B13R2.430 O=C(O)C1=CN=C2NCCC2=C1 CDS009699 [0,1,0,1,0,0|2,0,0]=4 517 B9R0.42 C=C(CC(=O)OC)C(=O)O S295248 [0,0,1,0,1,0|1,0,1]=4 518 B9R0.42 C=C(CC(=O)OC)C(=O)O S950076 [0,0,1,0,1,0|1,0,1]=4 519 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [1,0,0,0,1,0|1,1,0]=4 520 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [1,0,0,0,1,0|2,0,0]=4 521 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [1,0,0,0,1,0|2,0,0]=4 522 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [1,0,0,0,1,0|1,0,0]=3 523 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [1,0,0,0,1,0|1,0,1]=4 524 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [1,0,0,0,1,0|2,0,0]=4 525 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [1,0,0,0,1,0|2,0,0]=4 526 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [1,0,0,0,1,0|2,0,0]=4 527 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [1,0,0,0,1,0|2,0,0]=4 528 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [1,0,0,0,1,0|2,0,0]=4 529 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [1,0,0,0,1,0|2,0,0]=4 530 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [1,0,0,0,1,0|2,0,0]=4 531 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [1,0,0,0,1,0|2,0,0]=4 532 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,0,0,0,0,1|2,0,0]=4 533 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,0,0,0,0,1|2,0,0]=4 534 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,0,0,0,0,1|1,0,0]=3 535 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,0,0,0,0,1|2,0,0]=4 536 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,0,0,0,0,1|2,0,0]=4 537 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,0,0,0,0,1|2,0,0]=4 538 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,0,0,0,0,1|1,0,1]=4 539 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,0,0,0,0,1|2,0,0]=4 540 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,1|1,0,0]=3 541 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,0,0,0,0,1|1,0,0]=3 542 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,0,0,0,0,1|1,0,0]=3 543 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [1,0,0,0,0,1|2,0,0]=4 544 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [1,0,0,0,0,1|2,0,0]=4 545 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,0,0,0,0,1|1,0,0]=3 546 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [1,0,0,0,0,1|1,1,0]=4 547 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,0,0,0,0,1|1,0,0]=3 548 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [1,0,0,0,0,1|2,0,0]=4 549 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,0,0,0,0,1|2,0,0]=4 550 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,0,0,0,0,1|2,0,0]=4 551 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,0,0,0,0,1|2,0,0]=4 552 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,0,0,0,0,1|1,1,0]=4 553 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,0,0,0,0,1|2,0,0]=4 554 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,0,0,0,0,1|2,0,0]=4 555 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [1,0,0,0,0,1|2,0,0]=4 556 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [0,0,0,0,1,1|1,0,1]=4 557 B11R1.266 COC1=CC(=CC=N1)B(O)O CDS007799 [0,0,0,0,1,1|1,0,1]=4 558 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,0,0,0,1,1|1,0,0]=3 559 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,0,0,0,1,1|0,0,0]=2 560 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,0,0,0,1,1|2,0,0]=4 561 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,0,0,0,1,1|1,0,0]=3 562 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [0,0,0,0,1,1|2,0,0]=4 563 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [0,0,0,0,1,1|2,0,0]=4 564 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,0,0,0,1,1|2,0,0]=4 565 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,0,0,0,1,1|2,0,0]=4 566 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,0,0,0,1,1|2,0,0]=4 567 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,0,0,0,0,2|0,0,0]=2 568 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,0,0,0,0,2|1,0,0]=3 569 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,0,0,0,0,2|0,0,0]=2