0 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.1 C#CC1=CC=C(N=C1)Cl CDS021113 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,0,0,0,0,0|1,1,0]=2 6 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.1 CC1C=CC(C=C1)CO T168033 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.1 CSC1=NC=C(C=N1)O S217581 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.1 N#CC1=CC=C(N=C1)Br CDS003693 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.1 N#CC1=CC=C(N=C1)F CDS002963 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,0,0,0,0,0|1,0,3]=4 33 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 C1(C=CCC=C1)CO T175528 [1,0,0,0,0,0|0,0,2]=3 37 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,0,0,0,0,0|1,1,0]=3 63 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,1,0,0,0,0|1,0,2]=4 64 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,1,0,0,0,0|0,0,2]=3 65 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,1,0,0,0,0|1,0,1]=3 67 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,1,0,0,0,0|0,0,0]=1 83 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,1,0,0,0,0|1,1,0]=3 84 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,1,0,0,0,0|1,1,0]=3 85 B10R1.1 C[N+]1=CC=C(C=C1)/C=N/O S935689 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,1,0,0,0,0|0,0,1]=2 91 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,1,0,0,0,0|1,0,1]=3 93 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.1 [O-][N+]1=CC=C(C=C1)C=NO PH008962 [0,1,0,0,0,0|1,0,2]=4 95 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [0,1,0,0,0,0|1,1,0]=3 107 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [0,1,0,0,0,0|1,1,0]=3 109 B10R1.3 N#CC1=CC=C(C=N1)CN CDS007218 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.13 BrC1=CC=C(C=C1)[Sb](I)I PH002149 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,1,0,0,0,0|1,1,0]=3 118 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,1,0,0,0,0|2,1,0]=4 123 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,0,0|1,0,2]=4 130 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,0,0|0,1,1]=3 131 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,0,0|1,0,1]=3 132 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,0,0|1,0,2]=4 133 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,0,0|1,0,1]=3 135 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,0,0|1,0,2]=4 136 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,1,0,0,0,0|1,0,2]=4 138 B10R1.13 OB(O)C1=CC=C(C=N1)Cl CDS002921 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,1,0,0,0,0|1,0,2]=4 140 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,1,0,0,0,0|0,0,2]=3 146 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,1,0,0,0,0|1,1,0]=3 155 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,1,0,0,0,0|1,0,2]=4 160 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,1,0,0,0,0|1,0,2]=4 161 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.25 OCC1=CC=C(N=C1Cl)Cl KOB0069 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,1,0,0,0,0|1,0,2]=4 164 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,1,0,0,0,0|1,0,1]=3 169 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,1,0,0,0,0|1,1,0]=3 187 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,1,0,0,0,0|1,0,1]=3 188 B10R1.176 N#CC1=CC=C(C(=C1)F)Br CDS010530 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,1,0,0,0,0|0,0,2]=3 193 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.473 CC1(C=CC(=O)C=C1)CCl S37193 [0,1,0,0,0,0|1,0,2]=4 200 B10R2.335 O=C1C=CC2(C=C1)CO2 T273554 [0,0,0,1,0,0|0,0,2]=3 201 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,0,0,0,1,0|2,0,0]=3 202 B8R1.1 CC1=CC(=NO1)CO L482684 [0,0,0,0,1,0|3,0,0]=4 203 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,0,0,0,1,0|3,0,0]=4 204 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,0,0,0,1,0|3,0,0]=4 205 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,0,0,0,1,0|3,0,0]=4 206 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,0,0,0,1,0|3,0,0]=4 207 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,0,0,0,1,0|2,0,0]=3 208 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,0,0,0,1,0|2,0,0]=3 209 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,0,0,0,1,0|3,0,0]=4 210 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,0,0,0,1,0|3,0,0]=4 211 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [0,0,0,0,1,0|3,0,0]=4 212 B7R0.3 C=C/C=C/C(C)C=C S418986 [1,0,1,0,0,0|1,0,1]=4 213 B7R0.3 C=CC(O)C/C=C\C T241768 [1,0,1,0,0,0|0,0,2]=4 214 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,0]=3 215 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,0]=3 216 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|1,0,0]=3 217 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 218 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,1]=4 219 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,1]=4 220 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|1,0,1]=4 221 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,0,0]=3 222 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|1,1,0]=4 223 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|0,0,1]=3 224 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|0,1,0]=3 225 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|1,0,0]=3 229 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|0,1,0]=3 230 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|1,0,1]=4 243 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,0]=3 244 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|1,0,0]=3 249 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|1,0,0]=3 251 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,1,0,0,0,0|0,1,0]=3 258 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,1,0,0,0,0|1,0,1]=4 261 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,1,0,0,0,0|0,0,2]=4 264 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,1,0,0,0,0|1,0,0]=3 265 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,1,0,0,0,0|0,0,1]=3 269 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.8 COCC1=CC=CC=N1 S363146 [1,1,0,0,0,0|1,0,0]=3 273 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,1,0,0,0,0|1,0,0]=3 274 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,1,0,0,0,0|0,0,0]=2 278 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,1,0,0,0,0|1,1,0]=4 281 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,1,0,0,0,0|1,1,0]=4 282 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,1,0,0,0,0|1,1,0]=4 283 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|0,0,2]=4 286 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|1,0,1]=4 288 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.15 CCN1C=CC=CC1=O S683159 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|1,0,0]=3 303 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|1,0,0]=3 305 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,1,0,0,0,0|1,0,0]=3 306 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.15 OCC1=CC=CC=N1O S459240 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,1,0,0,0,0|1,1,0]=4 316 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,1,0,0,0,0|1,1,0]=4 318 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [1,1,0,0,0,0|1,0,1]=4 320 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [1,1,0,0,0,0|1,0,1]=4 321 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,1,0,0,0,0|0,0,0]=2 330 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,1,0,0,0,0|0,0,0]=2 333 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,1,0,0,0,0|1,0,1]=4 334 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,1,0,0,0,0|1,1,0]=4 352 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,1,0,0,0,0|1,1,0]=4 353 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.21 OCC1=CC(=NN1)CO L161411 [0,1,0,0,1,0|2,0,0]=4 374 B9R1.21 OCC1=CC=C(N1)CO L165034 [0,1,0,0,1,0|1,0,0]=3 375 B9R1.35 CC(O)C1=CSC(=C1)Cl PHB00211 [0,1,0,0,1,0|2,0,0]=4 376 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [0,1,0,0,1,0|2,0,0]=4 377 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.1 C#CCSC1=CC=C(C=C1)Br CDS024016 [0,2,0,0,0,0|2,0,0]=4 380 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,2,0,0,0,0|1,1,0]=4 394 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,2,0,0,0,0|1,0,0]=3 396 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [0,2,0,0,0,0|1,0,0]=3 397 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.1 N#CCSC1=CC=C(C=C1)Cl EME00140 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,2,0,0,0,0|1,1,0]=4 402 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,2,0,0,0,0|1,0,0]=3 403 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,2,0,0,0,0|1,0,0]=3 406 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,2,0,0,0,0|0,0,1]=3 410 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,2,0,0,0,0|0,0,1]=3 417 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,2,0,0,0,0|1,0,1]=4 426 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,2,0,0,0,0|1,1,0]=4 427 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,2,0,0,0,0|1,0,1]=4 431 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,2,0,0,0,0|1,0,1]=4 432 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,2,0,0,0,0|0,0,1]=3 433 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,2,0,0,0,0|1,0,1]=4 435 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,2,0,0,0,0|1,0,0]=3 440 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,2,0,0,0,0|1,0,0]=3 444 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,2,0,0,0,0|1,0,0]=3 445 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,2,0,0,0,0|0,0,0]=2 448 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,2,0,0,0,0|1,0,1]=4 454 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,2,0,0,0,0|1,0,1]=4 455 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,2,0,0,0,0|0,0,1]=3 458 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,2,0,0,0,0|1,0,0]=3 462 B11R1.81 CC1=CC(=C(C=C1)/C=N/O)C L320153 [0,2,0,0,0,0|1,0,1]=4 463 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,2,0,0,0,0|1,0,1]=4 464 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [0,2,0,0,0,0|0,0,1]=3 469 B11R1.81 O/N=C\C1=CC=C(C=C1Cl)Cl PH008974 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.83 CCC1=CN=C(C=C1)CCO CDS000406 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.83 CCOC1=CN=C(C=C1)CCl CDS024452 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,2,0,0,0,0|1,0,0]=3 479 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [0,2,0,0,0,0|0,0,1]=3 480 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,2,0,0,0,0|0,0,0]=2 481 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,2,0,0,0,0|0,1,0]=3 482 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,2,0,0,0,0|0,0,0]=2 483 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,2,0,0,0,0|1,1,0]=4 484 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.192 CC1=CC(=CC=C1O)SC#N CDS016664 [0,2,0,0,0,0|1,0,1]=4 488 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [0,2,0,0,0,0|0,0,0]=2 497 B11R1.192 ON=CC1=CC=C(C(=C1)Cl)Cl PH008936 [0,2,0,0,0,0|1,0,1]=4 498 B11R1.3 C#CC1=CC=C(C=C1)B(O)O CDS007602 [0,2,0,0,0,0|1,0,1]=4 499 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,2,0,0,0,0|1,0,1]=4 503 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,2,0,0,0,0|1,1,0]=4 504 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,2,0,0,0,0|1,1,0]=4 505 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,2,0,0,0,0|1,0,1]=4 508 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,2,0,0,0,0|1,0,1]=4 509 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,2,0,0,0,0|1,0,1]=4 510 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,2,0,0,0,0|1,0,1]=4 511 B11R1.3 ClCC1=CC=C(C=C1)C(Cl)Cl PH007301 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,2,0,0,0,0|1,0,1]=4 513 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,2,0,0,0,0|1,0,1]=4 515 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,2,0,0,0,0|0,0,2]=4 517 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [0,2,0,0,0,0|1,0,1]=4 518 B11R1.3 OCC1=CC=C(C=N1)B(O)O CDS010165 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.279 BrCC1=CC=C(C(=C1)Br)CBr T306096 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.279 CC1=CC(=CC=C1CBr)C#N CDS024330 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [0,2,0,0,0,0|0,0,2]=4 526 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [0,2,0,0,0,0|1,0,0]=3 527 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [0,2,0,0,0,0|0,0,0]=2 529 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [0,2,0,0,0,0|0,1,0]=3 531 B11R1.279 COC1=CC=C(N=C1Br)CO ADE000219 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.279 COC1=CNC(=CC1=O)CO L307963 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.279 COC1=COC(=CC1=O)CCl L308021 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.279 COC1=COC(=CC1=O)CO S231703 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.279 N#CC1=CC=C(C=C1F)CBr CDS008858 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [0,2,0,0,0,0|1,1,0]=4 562 B11R1.19 FC(F)(F)C1=CC=C(C=C1)S CDS007567 [0,2,0,0,0,0|1,1,0]=4 563 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [0,2,0,0,0,0|1,0,1]=4 564 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)O S573213 [0,2,0,0,0,0|1,0,1]=4 567 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,2,0,0,0,0|0,0,2]=4 568 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,2,0,0,0,0|0,0,2]=4 569 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.21 FC1=C(C=C(C=C1)C(F)F)F MNO000096 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,2,0,0,0,0|0,1,1]=4 581 B11R1.21 NC1=CC(=CC=C1Cl)B(O)O CDS020054 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.21 NC1=CC(=CC=C1F)B(O)O BML00197 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,2,0,0,0,0|1,0,1]=4 584 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br CDS000944 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br SYX00309 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Cl CDS004650 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,2,0,0,0,0|1,0,1]=4 591 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,2,0,0,0,0|1,0,0]=3 596 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,2,0,0,0,0|1,0,1]=4 597 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,2,0,0,0,0|0,0,1]=3 598 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,2,0,0,0,0|0,0,1]=3 599 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|0,1,1]=4 600 B11R1.166 OB(O)C1=C(C=C(C=C1)F)Cl CDS003472 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.166 OB(O)C1=CC=C(C=C1F)Br SYX00006 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.166 OB(O)C1=CC=C(C=C1F)Cl BML00162 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.37 CCC1=CC(=CC=C1CBr)Br PH016077 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [0,2,0,0,0,0|0,0,0]=2 606 B11R1.37 COC1=CC(=CN=C1CO)Br ADE000508 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [0,2,0,0,0,0|0,0,0]=2 611 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [0,2,0,0,0,0|1,0,1]=4 612 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [0,2,0,0,0,0|0,0,2]=4 615 B11R1.277 OCC1=C(C=C(C(=C1)F)F)Cl R701734 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.277 OCC1=C(C=C(C(=N1)Cl)O)Cl ADE000182 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.277 OCC1=C(N=C(C(=C1)F)Cl)Cl MNO000043 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [0,2,0,0,0,0|1,0,1]=4 619 B11R1.278 COC1=C(C(=C(C=C1)O)F)F CDS002829 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.278 NCC1=C(C(=C(C=C1)F)F)F CDS002894 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.278 OCC1=CC=C(C(=C1F)F)F CDS003044 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.464 CC1=C(C(=NC(=N1)O)O)CO R434728 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [0,2,0,0,0,0|0,0,2]=4 625 B11R1.464 CC1=CC(=CC(=C1N=O)C)O PH009036 [0,2,0,0,0,0|1,0,1]=4 626 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.464 FC1=CC(=C(C(=C1)F)CBr)F CDS014241 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.464 N#CC1=C(C=C(C=C1F)O)F UPL0004 [0,2,0,0,0,0|1,0,1]=4 629 B11R1.464 NCC1=C(C=C(C=C1F)Cl)F CDS000828 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.464 NCC1=C(C=C(C=C1F)F)F CDS001002 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [0,2,0,0,0,0|1,0,1]=4 632 B11R1.14 COC1=CC(=C(C(=C1)Br)O)N CDS021998 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.14 NCC1=CC(=C(C(=C1)F)F)F CDS002863 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.14 O=CC1=CC(=C(C(=C1)Cl)O)Cl CDS014555 [0,2,0,0,0,0|0,0,2]=4 635 B11R1.14 O=CC1=CC(=C(C(=C1)F)O)Br CDS024542 [0,2,0,0,0,0|0,0,2]=4 636 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [0,2,0,0,0,0|0,0,2]=4 637 B11R1.14 OCC1=CC(=C(C(=N1)Br)O)I ADE000195 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.280 N#CC1=CC(=CC=C1F)CN PH018726 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,0,1,1,0,0|1,0,1]=4 643 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,0,1,1,0,0|1,0,1]=4 644 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [0,1,0,1,0,0|2,0,0]=4 645 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,1,0,1,0,0|2,0,0]=4 646 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,1,0,1,0,0|2,0,0]=4 647 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,1,0,1,0,0|2,0,0]=4 648 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,1,0,1,0,0|2,0,0]=4 649 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,1,0,1,0,0|2,0,0]=4 650 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,1,0,1,0,0|2,0,0]=4 651 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,1,0,0|2,0,0]=4 652 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,1,0,0|2,0,0]=4 653 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,1,0,1,0,0|1,0,0]=3 654 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,1,0,1,0,0|2,0,0]=4 655 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,1,0,0|1,0,1]=4 656 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,1,0,1,0,0|2,0,0]=4 657 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [0,1,0,1,0,0|1,0,0]=3 658 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,1,0,1,0,0|1,0,1]=4 659 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,1,0,1,0,0|1,0,1]=4 660 B11R2.742 O=C1C=CC2(C=C1)CCO2 T273562 [0,1,0,1,0,0|0,0,2]=4 661 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,0,0,0,1,0|2,0,0]=4 662 B7R1.1 NCC1=COC=C1 CDS008929 [1,0,0,0,1,0|2,0,0]=4 663 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,1,0|1,0,0]=3 664 B7R1.1 OCC1=CN=CS1 CDS004659 [1,0,0,0,1,0|2,0,0]=4 665 B7R1.1 OCC1=CNN=C1 CDS015812 [1,0,0,0,1,0|2,0,0]=4 666 B7R1.1 OCC1=NOC=C1 PHB00207 [1,0,0,0,1,0|2,0,0]=4 667 B7R1.1 SCC1=CC=CS1 CDS000069 [1,0,0,0,1,0|1,1,0]=4