0 B10R1.22 BrC1=CC(=C(C(=C1)Br)Br)Br S943029 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.22 BrC1=CC(=C(C(=C1)Br)I)Br S547263 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.22 CC1=C(C=C(C=C1F)I)F CDS021213 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.22 CC1=NC(=C(C(=N1)C)C)Cl CBR01736 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.22 CC1=NC(=NC(=C1Br)C)Cl CDS021082 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.22 CC1=NC(=NC(=C1Br)C)N S885924 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.22 CC1=NC(=NC(=C1C)C)N CBR00277 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.22 ClC1=CC(=CC(=C1Cl)Cl)Br S943045 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.22 ClC1=CC(=CC(=C1I)Cl)Br S943053 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.22 FC1=CC(=C(C(=C1)F)Br)Br R158321 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.22 NC1=C(C(=CC(=C1)F)F)N CDS010697 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.22 NC1=C(C=C(C=C1Cl)Br)Br S676926 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.22 NC1=CC(=C(C(=C1)F)Br)F CDS000756 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.22 NC1=CC(=C(C(=C1)I)I)I PH001971 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.22 NC1=CC(=CC(=C1F)F)Br CDS024554 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [0,0,0,0,0,0|3,1,0]=4 51 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.22 [O-]C1=C(C=C(C=C1Br)Br)Br S825875 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [1,0,0,0,0,0|1,1,0]=3 56 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.3 CC1=COC=C(C1=O)C T162310 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.3 CC1=NC=NC(=C1O)O S217778 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.3 CN1C=CC=[N+](C1=O)C S139823 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.3 NC1=CC=CC(=C1N)N S915041 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,0,0,0,0,0|1,1,0]=3 110 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,0,0,0,0,0|1,0,0]=2 120 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [0,1,0,0,0,0|0,0,1]=2 174 B11R1.8 CCC1=NC(=CC(=C1O)N)C L211184 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.8 NCC1=C(C(=CC(=C1)F)F)F CDS002986 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.14 CC1=CC(=CC(=C1F)C)C=O CDS000866 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.14 COC1=CC(=C(C(=C1)Br)C)Br S310824 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.14 COC1=CC(=C(C(=C1)Br)I)Br S17893 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.14 COC1=CC(=C(C(=C1)Br)N)Br R179124 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.14 COC1=CC(=C(C(=C1)Br)O)N CDS021998 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C OTV000869 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.14 COC1=CC(=[N+](C(=C1)C)C)C S242047 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.14 COC1=CC(=[N+](C(=C1)C)[O-])C S283711 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.14 CSC1=NC(=C(C(=N1)O)O)C R262862 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.14 NCC1=CC(=C(C(=C1)F)F)F CDS002863 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.14 O=CC1=CC(=C(C(=C1)Cl)O)Cl CDS014555 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.14 O=CC1=CC(=C(C(=C1)F)O)Br CDS024542 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.14 OCC1=CC(=C(C(=N1)Br)O)I ADE000195 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)Br)N R289779 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)C)C S38084 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.32 CC1=C(C(=C(C(=C1)Cl)C)C)C S35999 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.32 CC1=C(C(=C(C(=C1)O)C)C)Cl S344621 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.32 CC1=C(C(=C(C(=C1)O)Cl)C)Cl S412643 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.32 CC1=C(C(=C(C(=N1)N)Br)C)Br L163058 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.32 CC1=C(C(=O)C(=C(N1)C)Br)Br L100307 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.32 CC1=C(C(=O)C(=CC1=O)Cl)C R163597 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.32 CC1=C(C=C(C(=C1Br)O)Br)Br S548618 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.32 CC1=CC(=C(C(=C1Br)C)Br)C S407445 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.32 CC1=CC(=C(C(=C1C)Br)N)C S943614 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C S109738 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C S38548 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.32 CC1=CC(=O)C(=C(C1=O)Br)C R539902 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C PH006916 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.32 CC1=NC(=C(C(=C1Br)Cl)Br)C R439649 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.32 CC1=NC(=C(C(=C1C)C)C)C R252581 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.32 OC1=C(C(=C(C=C1Cl)Br)Cl)Cl PH005340 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.32 OC1=C(C(=C(C=C1Cl)Cl)Br)Cl PH005339 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.32 OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl S418676 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.464 CC1=CC(=C(C(=C1)C)C#N)C S445924 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.464 CC1=CC(=C(C(=C1)C)[Hg]Cl)C S880779 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.464 CC1=CC(=C(C(=N1)C)C=O)C PH018796 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.464 CC1=CC(=C(C(=N1)S)C#N)C R110418 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.464 CC1=CC(=C(C(=N1)S)C#N)C S24016 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.464 CC1=CC(=C(C(=O)N1)C#N)C L133671 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.464 CC1=CC(=CC(=C1N=O)C)O PH009036 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.464 CC1=CC(=NC(=C1C#N)C)Cl CDS021388 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.464 CC1=CC(=NC(=C1C#N)C)N S461237 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.464 COC1=C(C=C(C=C1Cl)N)Cl PH010475 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.464 COC1=C(C=C(C=C1Cl)N)F CDS021066 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.37 CC1=C(C(=C(N1)C)I)I L164151 [0,0,0,0,1,0|3,0,0]=4 229 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,0,0,0,1,0|2,0,0]=3 230 B9R1.37 CC1=CC(=[N+](N1C)C)C R428507 [0,0,0,0,1,0|3,0,0]=4 231 B9R1.37 CC1=NC(=C(N1O)C)C L498734 [0,0,0,0,1,0|2,0,0]=3 232 B9R1.37 CC1=NN(C(=C1I)C)C BML00265 [0,0,0,0,1,0|3,0,0]=4 233 B9R1.37 CC1=NN(C(=C1I)C)C CDS014870 [0,0,0,0,1,0|3,0,0]=4 234 B11R1.678 C1(C=C(C=C(NC1=S)C)C)C T300470 [0,0,0,0,0,1|0,1,1]=3 235 B11R1.678 CC1=CC(C(=O)NC(=C1)C)C T161217 [0,0,0,0,0,1|0,0,2]=3 236 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [1,0,1,0,0,0|0,0,2]=4 237 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [2,0,0,0,0,0|1,0,0]=3 241 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.5 CC1=CN=CC=C1N CDS003217 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [2,0,0,0,0,0|1,1,0]=4 246 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|1,0,0]=3 249 B8R1.5 NC1=CC=CN=C1O CDS007860 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.5 OC1=NC=CC=C1F CDS019950 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|1,0,1]=4 256 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|1,1,0]=4 260 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|0,0,0]=2 265 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [1,1,0,0,0,0|0,0,0]=2 288 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [1,1,0,0,0,0|0,0,1]=3 292 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.8 CC1=CC(=CC(=N1)C)C#N CBR01586 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.8 CC1=CC(=CC(=N1)Cl)CO JRD0950 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.8 CC1=CC(=CC(=[O+]1)C)CCl S256331 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.8 CC1=CC(=NC(=N1)CCl)C CDS019266 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.8 CSC1=NC(=CC(=N1)C)C PH000262 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.8 ClCC1=CC(=CC(=C1)Cl)Cl PH011765 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.8 FC1=CC(=CC(=C1)CS)F CDS003557 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [1,1,0,0,0,0|0,0,1]=3 308 B10R1.329 N1C(=CC(=CC1(C)C)C)C S355887 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|0,0,0]=2 335 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.191 CC1=C([N+](=C(N1O)C)[O-])C R253138 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.256 CC1=NN(C(=C1CO)C)C CBR00195 [0,1,0,0,1,0|2,0,0]=4 413 B12R1.1275 CC1=CC(=C(C(C(=O)N1)C)Cl)C T165689 [0,1,0,0,0,1|1,0,1]=4 414 B12R1.14 CCC1=C(C(=C(C(=C1)O)Cl)C)Cl S349127 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.14 COC1=CC(=C(C(=C1Br)C)Br)C S292664 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.234 COC1=C(C(=NC(=C1)C)C)C#N R456500 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.234 COC1=C(C=C(C=C1CN)F)F CDS001009 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.234 COC1=NC(=CC(=C1CN)C)C CBR02358 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.234 CSC1=C(C(=CC(=N1)C)C)C#N EME00028 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.300 C(=O)C1=CC(=CC(=C1O)Br)OC S804304 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.300 COC1=CC(=C(C(=C1)CO)C)Br S324019 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.300 CSC1=CC(=C(C(=C1)CO)O)C S533793 [0,2,0,0,0,0|0,0,0]=2 425 B12R1.300 O=C1C=C(OC(=C1O)CO)CO PH011414 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PH011662 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,2,0,0,0,0|0,0,1]=3 430 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.511 CC1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PH009203 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PH011658 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.705 CC1=CC(=C(C(=C1C)CCl)C)C PH017034 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.705 CCC1=C(C(=CC(=C1Cl)C)O)Cl S349119 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.44 CC1=CC(=CC(=C1O)C)SC#N PH008896 [0,2,0,0,0,0|0,0,1]=3 436 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N CDS019647 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.1005 CC1=CC(=CC(=C1C)C)[N+](=O)[O-] S548952 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.1005 CC1=CC(=CC(=C1Cl)C)[N+](=O)[O-] PH000376 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [0,2,0,0,0,0|0,0,1]=3 441 B12R1.1005 CN(C)C1=CC(=C(C(=C1)Cl)O)Cl S596345 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.98 CC1=CC(=C(C(=C1CCl)C)O)C S947628 [0,2,0,0,0,0|0,0,0]=2 443 B12R1.98 COC1=C(C(=C(C=C1Br)C)Br)Br S35050 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.98 COC1=C(C=C(C(=C1C)C)N)C PH004606 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)Br)C)Br S109630 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)Br)C)Br S869430 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)Br)C)Br S97587 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)C)Br)C S706760 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)Br)C S869414 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)C)Br S869422 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)C)C S869600 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)C)Br)C S240931 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)C)Br)C S869597 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Br)C)C S557641 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Cl)C)C S109703 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Br)C S38416 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Cl)C S109606 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Cl)O S345717 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)Cl)C)C S38483 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)C)Cl)C R427446 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl S80072 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl S96939 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.3795 CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl R161284 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.3795 CC1=C(C(=C(C(=C1Cl)O)Cl)C)Cl S347418 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)C)Br)Br S843873 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C S991066 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)N)C S356611 [0,2,0,0,0,0|0,0,1]=3 470 B12R1.1000 CC1=CC(=C(C(=C1)C)S(=O)O)C S798894 [0,2,0,0,0,0|0,0,0]=2 471 B12R1.1000 CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C PH000042 [0,2,0,0,0,0|0,0,1]=3 472 B12R1.1000 CC1=CC(=C(C(=C1)I)C(=O)O)I L511978 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.1000 CC1=CC(=C(C(=C1)O)[N+](=O)[O-])C S809179 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.1000 CC1=CC(=C(C(=N1)C)[N+](=O)[O-])C TMT00392 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)O)C T321648 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.1000 CC1=CC(=NC(=C1C(C)O)C)C S432520 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.1000 CC1=CC(=O)NC(=C1C(=O)O)C CBR01649 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S457507 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S946400 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.1095 CC1=CC(=C(C(=C1)C)C=NO)C S109584 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.1095 CC1=CC(=C(C(=C1)C)C=NO)C S90817 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.1095 CC1=CC(=C(C(=C1)C)N=C=S)C S648833 [0,2,0,0,0,0|0,1,0]=3 484 B12R1.1095 CC1=CC(=CC(=C1SC#N)C)O PH009029 [0,2,0,0,0,0|1,1,0]=4 485 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,0,1,1,0,0|2,0,0]=4 486 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,0,1,1,0,0|2,0,0]=4 487 B8R1.50 CC1=NNC(=C1O)C S720429 [1,0,0,0,1,0|2,0,0]=4 488 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [1,0,0,0,1,0|2,0,0]=4