0 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,0,0,0|3,0,0]=3 16 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,0,0,0,0,0|4,0,0]=4 18 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,0,0,0,0,0|4,0,0]=4 19 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.24 O=C1CSC2=NC=CC=C2N1 PH011261 [0,0,0,0,0,0|3,0,1]=4 21 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [1,0,0,0,0,0|0,0,1]=2 26 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,0,0,0|1,0,0]=2 27 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,0,0,0|1,0,1]=3 29 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [1,0,0,0,0,0|1,0,0]=2 30 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,0,0,0|0,1,1]=3 32 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,1,0,0,0,0|1,0,0]=2 33 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.32 CC1=[N+](C2=C(C=CC=C2)N=C1)[O-] PH008273 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,0,0,0|3,0,0]=4 47 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,1,0,0,0,0|3,0,0]=4 49 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [0,1,0,0,0,0|1,0,1]=3 50 B13R2.57 C#CC1=CC=C2N=CC=NC2=C1 CDS013627 [0,1,0,0,0,0|1,0,1]=3 51 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,1,0,0,0,0|2,0,1]=4 52 B13R2.57 CC[N+]1=CC2=C(C=CC=C2)C=C1 S619299 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,1,0,0,0,0|2,0,0]=3 54 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.57 COC1=CN=C2C=CC=NC2=C1 ADE000867 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,1,0,0,0,0|3,0,0]=4 61 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,1,0,0,0,0|0,0,1]=2 62 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.57 OCC1=CN=C2C=CC=NC2=C1 ADE000879 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [0,1,0,0,0,0|1,0,0]=2 66 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [0,1,0,0,0,0|1,0,0]=2 67 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [0,1,0,0,0,0|2,0,0]=3 68 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,1,0,0,0,0|1,0,0]=2 71 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,1,0,0,0,0|1,0,0]=2 73 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O S489034 [0,1,0,0,0,0|1,0,2]=4 74 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,1,0,0,0,0|0,0,0]=1 75 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,1,0,0,0,0|0,0,0]=1 79 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [0,1,0,0,0,0|1,0,0]=2 81 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [0,1,0,0,0,0|1,0,0]=2 83 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [0,1,0,0,0,0|1,0,0]=2 84 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [0,1,0,0,0,0|1,0,0]=2 85 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.162 ClC1=NC=NC2=CC=C(C=C12)I PH009966 [0,1,0,0,0,0|2,0,0]=3 87 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [0,1,0,0,0,0|1,0,0]=2 88 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,1,0,0,0,0|2,0,0]=3 91 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [0,1,0,0,0,0|1,0,0]=2 92 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [0,1,0,0,0,0|1,0,0]=2 93 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [0,1,0,0,0,0|2,0,0]=3 94 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.162 O=C1NC=NC2=CC=C(C=C12)I TMT00177 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [0,1,0,0,0,0|1,0,0]=2 98 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [0,1,0,0,0,0|1,0,0]=2 99 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,1,0,0,0,0|2,0,0]=3 100 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,1,0,0,0,0|2,0,0]=3 101 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.328 CC1=CC(=C2C=CC=NC2=N1)Cl MNO000097 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,1,0,0,0,0|1,0,0]=2 110 B13R2.328 ClC1=NC(=C2N=CC=CC2=N1)Cl CDS008871 [0,1,0,0,0,0|3,0,0]=4 111 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,1,0,0,0,0|3,0,0]=4 112 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,1,0,0,0,0|3,0,0]=4 117 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,1,0,0,0,0|1,0,0]=2 118 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [0,1,0,0,0,0|1,0,0]=2 119 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,1,0,0,0,0|2,0,0]=3 120 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [0,1,0,0,0,0|3,0,0]=4 122 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,1,0,0,0,0|1,0,0]=2 124 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,1,0,0,0,0|1,0,1]=3 125 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,1,0,0,0,0|1,0,0]=2 126 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,0,0,0|1,0,2]=4 128 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,1,0,0,0,0|1,0,2]=4 129 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [0,1,0,0,0,0|1,0,0]=2 130 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,0,0,0|1,0,0]=2 131 B13R2.3683 CC1=NC2=NC=C(C=C2C=C1)F ADE000849 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,1,0,0,0,0|2,0,0]=3 135 B13R2.3683 NC1=CC=C2C=C(C=NC2=N1)Br CDS019239 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,1,0,0,0,0|2,0,0]=3 138 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,1,0,0,0,0|1,0,0]=2 141 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,1,0,0,0,0|1,0,1]=3 143 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,1,0,0,0,0|1,0,1]=3 144 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,1,0,0,0,0|1,0,0]=2 145 B13R2.3683 OC1=NC2=NC=C(C=C2C=C1)Br ADE000844 [0,1,0,0,0,0|2,0,0]=3 146 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CDS021109 [0,1,0,0,0,0|3,0,0]=4 149 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [0,1,0,0,0,0|3,0,0]=4 152 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,1,0,0,0,0|3,0,0]=4 154 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [0,1,0,0,0,0|3,0,0]=4 155 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [0,1,0,0,0,0|3,0,0]=4 156 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [0,1,0,0,0,0|3,0,0]=4 157 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,1,0,0,0,0|2,0,0]=3 158 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,0,0,0|2,0,0]=3 159 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,1,0,0,0,0|3,0,0]=4 160 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [0,1,0,0,0,0|3,0,0]=4 162 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [0,1,0,0,0,0|3,0,0]=4 163 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [0,1,0,0,0,0|3,0,0]=4 164 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,1,0,0,0,0|3,0,0]=4 165 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,1,0,0,0,0|3,0,0]=4 166 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [0,0,1,0,0,0|2,0,1]=4 168 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,0,1,0,0,0|1,0,1]=3 169 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,0,1,0,0,0|2,0,1]=4 170 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,0,1,0,0,0|1,0,1]=3 171 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [0,0,1,0,0,0|2,0,1]=4 172 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,0,1,0,0,0|2,0,1]=4 173 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,1,0,0,0|2,0,1]=4 174 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,1,0,0,0|2,0,1]=4 175 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,0,1,0,0,0|2,0,1]=4 176 B11R1.81 CC1=CC=C(C(=C1)C)N=C=S S645451 [0,0,1,0,0,0|1,0,2]=4 177 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,0,1,0,0,0|3,0,0]=4 178 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,1,0,0,0|3,0,0]=4 179 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,1,0,0,0|2,0,1]=4 180 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,1,0,0,0|2,0,1]=4 181 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,1,0,0,0|2,0,1]=4 182 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,1,0,0,0|3,0,0]=4 183 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,1,0,0,0|2,0,0]=3 184 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,1,0,0,0|3,0,0]=4 185 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,1,0,0,0|3,0,0]=4 186 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,0,1,0,0,0|3,0,0]=4 187 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,0,1,0,0,0|1,0,1]=3 188 B11R1.182 C=CCC1=CC(=CN=C1Cl)C ADE000755 [0,0,1,0,0,0|2,0,1]=4 189 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,0,1,0,0,0|2,0,1]=4 190 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,0,1,0|3,0,0]=4 191 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [0,0,0,0,1,0|3,0,0]=4 192 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,0,0,0,1,0|3,0,0]=4 193 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,0,1,0|3,0,0]=4 194 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,0,1,0|3,0,0]=4 195 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,0,0,0,1,0|3,0,0]=4 196 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [0,0,0,0,1,0|3,0,0]=4 197 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [0,0,0,0,1,0|3,0,0]=4 198 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [0,0,0,0,1,0|3,0,0]=4 199 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,0,0,0,1,0|3,0,0]=4 200 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,0,1,0|3,0,0]=4 201 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,0,1,0|2,0,0]=3 202 B11R2.10 CC1=N[N+]2=C(S1)N=CC=C2 S42855 [0,0,0,0,1,0|3,0,0]=4 203 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,0,0,0,1,0|3,0,0]=4 204 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,0,1,0|3,0,0]=4 205 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,0,1,0|3,0,0]=4 206 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,0,0,0,1,0|3,0,0]=4 207 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [0,0,0,0,1,0|3,0,0]=4 208 B11R2.36 BrC1=CC2=NC=NN2C=C1 SYX00403 [0,0,0,0,1,0|3,0,0]=4 209 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [0,0,0,0,1,0|3,0,0]=4 210 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,0,0,0,1,0|2,0,1]=4 211 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,0,0,0,1,0|2,0,1]=4 212 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,0,0,0,1,0|3,0,0]=4 213 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,0,0,0,1,0|3,0,0]=4 214 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,0,0,0,1,0|2,0,0]=3 215 B11R2.36 BrC1=CN2C=NN=C2C=C1 SYX00142 [0,0,0,0,1,0|3,0,0]=4 216 B11R2.36 BrC1=CN2N=CN=C2C=C1 SYX00141 [0,0,0,0,1,0|3,0,0]=4 217 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [0,0,0,0,1,0|3,0,0]=4 218 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,0,0,0,1,0|3,0,0]=4 219 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [0,0,0,0,1,0|3,0,0]=4 220 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [0,0,0,0,1,0|3,0,0]=4 221 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,0,0,0,1,0|2,0,1]=4 222 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,0,0,0,1,0|0,0,3]=4 223 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,0,0,0,1,0|2,0,1]=4 224 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [0,0,0,0,1,0|2,0,1]=4 225 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,0,0,0,1,0|1,0,1]=3 226 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [0,0,0,0,1,0|2,0,0]=3 227 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,0,0,0,1,0|2,0,0]=3 228 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,0,0,0,1,0|1,0,1]=3 229 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [0,0,0,0,1,0|2,0,1]=4 230 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,0,0,0,1,0|2,0,1]=4 231 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,0,0,0,1,0|3,0,0]=4 232 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [0,0,0,0,1,0|3,0,0]=4 233 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,0,0,0,1,0|2,0,1]=4 234 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,0,0,0,1,0|2,0,1]=4 235 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,0,0,0,1,0|2,0,0]=3 236 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [0,0,0,0,1,0|3,0,0]=4 237 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,0,0,0,1,0|3,0,0]=4 238 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [0,0,0,0,1,0|2,0,1]=4 239 B11R2.36 ClC1=NN2C=CN=C2C=C1 CDS005940 [0,0,0,0,1,0|3,0,0]=4 240 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,0,0,0,1,0|3,0,0]=4 241 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,0,0,0,1,0|3,0,0]=4 242 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,0,0,0,1,0|2,0,1]=4 243 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [0,0,0,0,1,0|2,0,1]=4 244 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [0,0,0,0,1,0|3,0,0]=4 245 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,0,0,0,1,0|3,0,0]=4 246 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [0,0,0,0,1,0|2,0,1]=4 247 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,0,0,0,1,0|2,0,1]=4 248 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,0,0,0,1,0|2,0,0]=3 249 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [0,0,0,0,1,0|3,0,0]=4 250 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,0,0,0,1,0|2,0,1]=4 251 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [0,0,0,0,1,0|3,0,0]=4 252 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,0,0,0,1,0|2,0,1]=4 253 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [0,0,0,0,1,0|3,0,0]=4 254 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,0,0,0,1,0|3,0,0]=4 255 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [0,0,0,0,1,0|2,0,1]=4 256 B11R2.36 OC1=NN2C=CN=C2C=C1 SYX00185 [0,0,0,0,1,0|3,0,0]=4 257 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,0,0,1|2,0,1]=4 258 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,0,1,0,0,0|1,0,1]=4 260 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,0,1,0,0,0|2,0,0]=4 261 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,0,1,0,0,0|2,0,0]=4 262 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,0,1,0,0,0|2,0,0]=4 263 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,1,0,0,0|1,0,1]=4 264 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,1,0,0,0|0,0,2]=4 265 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,1,0,0,0|1,0,1]=4 266 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,1,0,0,0|1,0,1]=4 267 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,1,0,0,0|2,0,0]=4 268 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,0,1,0,0,0|1,0,1]=4 269 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,0,1,0,0,0|2,0,0]=4 270 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,0,1,0,0,0|2,0,0]=4 271 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [1,0,1,0,0,0|2,0,0]=4 272 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,1,0,0,0|1,0,1]=4 273 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,1,0,0,0|1,0,1]=4 274 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [0,1,1,0,0,0|0,0,2]=4 275 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,1,1,0,0,0|2,0,0]=4 276 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,1,1,0,0,0|0,0,2]=4 277 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,1,1,0,0,0|1,0,1]=4 278 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [0,1,1,0,0,0|0,0,2]=4 279 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,1,1,0,0,0|2,0,0]=4 280 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,1,0,0,0|2,0,0]=4 281 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,1,0,0,0|2,0,0]=4 284 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [1,1,0,0,0,0|0,0,1]=3 285 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [1,1,0,0,0,0|0,0,0]=2 286 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [1,1,0,0,0,0|2,0,0]=4 287 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [1,1,0,0,0,0|1,0,0]=3 288 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [1,1,0,0,0,0|0,0,0]=2 289 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [1,1,0,0,0,0|0,0,0]=2 290 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [1,1,0,0,0,0|1,0,0]=3 291 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [1,1,0,0,0,0|2,0,0]=4 292 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [1,1,0,0,0,0|1,0,0]=3 293 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [1,1,0,0,0,0|2,0,0]=4 294 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [1,1,0,0,0,0|0,0,0]=2 295 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [1,1,0,0,0,0|0,0,0]=2 296 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [1,1,0,0,0,0|1,0,0]=3 297 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [1,1,0,0,0,0|1,0,1]=4 298 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [1,1,0,0,0,0|0,0,0]=2 299 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [1,1,0,0,0,0|2,0,0]=4 300 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [1,1,0,0,0,0|2,0,0]=4 301 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [1,1,0,0,0,0|0,0,1]=3 302 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [0,1,0,0,1,0|2,0,0]=4 303 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,0,1,0|2,0,0]=4 304 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,1,0,0,1,0|2,0,0]=4 305 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,1,0,0,1,0|2,0,0]=4 306 B12R2.18 CC1=C(C2=CC=CN=C2N1)I PHB00180 [0,1,0,0,1,0|2,0,0]=4 307 B12R2.132 BrC1=CNC2=NC=C(C=C12)I ADE000897 [0,1,0,0,1,0|2,0,0]=4 308 B12R2.132 CC1=CN=C2NC=C(C2=C1)I ADE000940 [0,1,0,0,1,0|2,0,0]=4 309 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,1,0,0,1,0|2,0,0]=4 310 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,1,0,0,1,0|2,0,0]=4 311 B12R2.132 ClC1=CN=C2NC=C(C2=C1)I ADE000899 [0,1,0,0,1,0|2,0,0]=4 312 B12R2.132 FC1=CN=C2NC=C(C2=C1)I ADE000905 [0,1,0,0,1,0|2,0,0]=4 313 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,1,0,0,1,0|2,0,0]=4 314 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,1,0,0,1,0|2,0,0]=4 315 B12R2.203 ClC1=C2C(=CNC2=NC=C1)Br SYX00215 [0,1,0,0,1,0|2,0,0]=4 316 B12R2.203 ClC1=C2C(=CNC2=NC=C1)I ADE000946 [0,1,0,0,1,0|2,0,0]=4 317 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,0,1,0|2,0,0]=4 318 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,0,1,0|2,0,0]=4 319 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,1,0,0,1,0|2,0,0]=4 320 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [0,1,0,0,1,0|2,0,0]=4 321 B12R2.32 NCC1=NC2=NC=CC=C2N1 CDS019145 [0,1,0,0,1,0|2,0,0]=4 322 B12R2.32 OCC1=CC2=NC=CC=C2O1 ADE001139 [0,1,0,0,1,0|1,0,0]=3 323 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,0,1,0|2,0,0]=4 324 B12R2.202 ClC1=CC=NC2=C1C=C(N2)I CVT00093 [0,1,0,0,1,0|2,0,0]=4 325 B12R2.606 BrC1=CN=C2C=C(OC2=C1)I ADE001171 [0,1,0,0,1,0|2,0,0]=4 326 B12R2.606 BrC1=CN=C2NC(=CC2=C1)I ADE001093 [0,1,0,0,1,0|2,0,0]=4 327 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,0,1,0|2,0,0]=4 328 B12R2.606 CC1=CC2=CC(=CN=C2N1)Br ADE001092 [0,1,0,0,1,0|1,0,0]=3 329 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,1,0,0,1,0|2,0,0]=4 330 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [0,1,0,0,1,0|1,0,0]=3 331 B12R2.44 BrCC1=CC2=NSN=C2C=C1 CDS021526 [0,1,0,0,1,0|2,0,0]=4 332 B12R2.44 BrCC1=CC=C2C=NNC2=C1 CVT00142 [0,1,0,0,1,0|2,0,0]=4 333 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,1,0,0,1,0|1,0,1]=4 334 B12R2.44 C(=O)C1=CN2C=CN=C2C=C1 CDS016444 [0,1,0,0,1,0|1,0,1]=4 335 B12R2.44 COC1=CN=C2NC=CC2=C1 ADE000892 [0,1,0,0,1,0|1,0,1]=4 336 B12R2.44 ClCC1=CN=C2NC=CC2=C1 ADE000894 [0,1,0,0,1,0|1,0,1]=4 337 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,1,0,0,1,0|1,0,0]=3 338 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,1,0,0,1,0|1,0,0]=3 339 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,1,0,0,1,0|1,0,0]=3 340 B12R2.44 NCC1=CC2=NSN=C2C=C1 CBR02294 [0,1,0,0,1,0|2,0,0]=4 341 B12R2.44 NCC1=CC=C2NN=CC2=C1 CDS010163 [0,1,0,0,1,0|1,0,1]=4 342 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,1,0,0,1,0|0,0,1]=3 343 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,1,0,0,1,0|1,0,0]=3 344 B12R2.44 OCC1=CC2=NSN=C2C=C1 CDS017023 [0,1,0,0,1,0|2,0,0]=4 345 B12R2.44 OCC1=CC=C2C=CNC2=N1 ADE001337 [0,1,0,0,1,0|2,0,0]=4 346 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [0,1,0,0,1,0|2,0,0]=4 347 B12R2.44 OCC1=CC=C2NC=NC2=C1 CDS015837 [0,1,0,0,1,0|1,0,1]=4 348 B12R2.44 OCC1=CN2C=CN=C2C=C1 CDS018509 [0,1,0,0,1,0|1,0,0]=3 349 B12R2.44 OCC1=CN=C2C=CNC2=C1 ADE000963 [0,1,0,0,1,0|2,0,0]=4 350 B12R2.44 OCC1=CN=C2NC=CC2=C1 ADE000893 [0,1,0,0,1,0|1,0,1]=4 351 B12R2.82 CC1=C(C2=NSN=C2C=C1)N CBR01504 [0,1,0,0,1,0|2,0,0]=4 352 B12R2.82 CC1=CN=C2NC=CC2=C1Cl ADE000979 [0,1,0,0,1,0|1,0,1]=4 353 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [0,1,0,0,1,0|2,0,0]=4 354 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S30709 [0,1,0,0,1,0|2,0,0]=4 355 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S435325 [0,1,0,0,1,0|2,0,0]=4 356 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [0,1,0,0,1,0|2,0,0]=4 357 B12R2.100 FC1=C(C=C2N=CNC2=C1)Br CDS023617 [0,1,0,0,1,0|2,0,0]=4 358 B12R2.100 N1C=NC2=C1C=C(C(=C2)Cl)C S274585 [0,1,0,0,1,0|1,0,0]=3 359 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,1,0,0,1,0|1,0,1]=4 360 B12R2.246 BrC1=CN2C=CN=C2C(=C1)I ADE001431 [0,1,0,0,1,0|2,0,0]=4 361 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [0,1,0,0,1,0|2,0,0]=4 362 B12R2.246 CC1=CC(=CN2C1=NC=C2)Br CBR02032 [0,1,0,0,1,0|2,0,0]=4 363 B12R2.246 CC1=CC2=C(C=CO2)C(=O)O1 T271020 [0,1,0,0,1,0|2,0,0]=4 364 B12R2.246 CC1=CN2C=CN=C2C(=C1)I ADE001436 [0,1,0,0,1,0|1,0,0]=3 365 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [0,1,0,0,1,0|1,0,1]=4 366 B14R2.93 ON=C1C=CC2=CC=CC=C2C=C1 T176516 [0,1,0,0,0,1|2,0,0]=4 367 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,1,0,0,0,1|2,0,0]=4 368 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C L160156 [0,1,0,0,0,1|2,0,0]=4 369 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C S32825 [0,1,0,0,0,1|2,0,0]=4 370 B14R2.92 CCN1C=CC2=C(C1=S)C=CC=C2 L202746 [0,2,0,0,0,0|2,0,0]=4 371 B14R2.92 COC1=C(C2=C(C=C1)C=NC=C2)Br PH018816 [0,2,0,0,0,0|2,0,0]=4 372 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I R268720 [0,2,0,0,0,0|1,0,0]=3 373 B14R2.92 O=C1C(=COC2=CC=CC=C12)CO PH007744 [0,2,0,0,0,0|2,0,0]=4 374 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O CDS000044 [0,2,0,0,0,0|1,0,1]=4 375 B14R2.203 CC[N+]1=C(C=CC2=C1C=CC=C2)C S920290 [0,2,0,0,0,0|2,0,0]=4 376 B14R2.4513 CC1=CC2=C(C=C1)OC=C(C2=O)Br JRD1474 [0,2,0,0,0,0|1,0,0]=3 377 B14R2.4513 CC1=CC=C2C=CC(=C(C2=N1)C)Br BBO000612 [0,2,0,0,0,0|2,0,0]=4 378 B14R2.4513 CC1=CC=C2OC=C(C(=O)C2=C1)C JRD0423 [0,2,0,0,0,0|1,0,0]=3 379 B14R2.4513 CC1=COC2=C(C1=O)C=C(C=C2)Cl JRD1304 [0,2,0,0,0,0|2,0,0]=4 380 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)Br JRD0424 [0,2,0,0,0,0|2,0,0]=4 381 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)F JRD0425 [0,2,0,0,0,0|2,0,0]=4 382 B14R2.4513 CN1C=NC2=C(C1=O)C=C(C=C2)Br S188115 [0,2,0,0,0,0|2,0,0]=4 383 B14R2.4513 ClC1=C(C2=CC(=CC=C2N=C1)Br)Cl BBO000617 [0,2,0,0,0,0|1,0,0]=3 384 B14R2.4513 ClC1=C(C=NC2=CC=C(C=C12)Br)Br BBO000337 [0,2,0,0,0,0|1,0,0]=3 385 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Br)Cl BBO000623 [0,2,0,0,0,0|1,0,0]=3 386 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Cl)Br BBO000335 [0,2,0,0,0,0|1,0,0]=3 387 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Cl)Cl BBO000336 [0,2,0,0,0,0|1,0,0]=3 388 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Br)Br IDF00137 [0,2,0,0,0,0|2,0,0]=4 389 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Cl)Br IDF00068 [0,2,0,0,0,0|2,0,0]=4 390 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [0,2,0,0,0,0|2,0,0]=4 391 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [0,2,0,0,0,0|2,0,0]=4 392 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [0,2,0,0,0,0|2,0,0]=4 393 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [0,2,0,0,0,0|2,0,0]=4 394 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)Cl BBO000170 [0,2,0,0,0,0|2,0,0]=4 395 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O BBO000049 [0,2,0,0,0,0|2,0,0]=4 396 B14R2.8188 CC1=C(C(=C2C=CC=NC2=N1)C)Br T314560 [0,2,0,0,0,0|2,0,0]=4 397 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,2,0,0,0,0|1,0,0]=3 398 B14R2.8188 CC1=CC2=C(C=CC=N2)C(=O)N1O PH009667 [0,2,0,0,0,0|2,0,0]=4 399 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [0,2,0,0,0,0|2,0,0]=4 400 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [0,2,0,0,0,0|2,0,0]=4 401 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [0,2,0,0,0,0|2,0,0]=4 402 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)I R269794 [0,2,0,0,0,0|1,0,0]=3 403 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)N R268771 [0,2,0,0,0,0|1,0,0]=3 404 B14R2.29369 CC1=CC=C2C(=N1)C=CC(=C2N)C T319848 [0,2,0,0,0,0|0,0,0]=2 405 B14R2.112 CCNC1=CC=C2C=CC=CC2=C1 CDS011399 [0,2,0,0,0,0|1,0,0]=3 406 B14R2.112 CCOC1=CC2=C(C=C1)N=CC=C2 S817899 [0,2,0,0,0,0|0,0,0]=2 407 B14R2.112 CCOC1=NC2=CC=CC=C2C=C1 T160180 [0,2,0,0,0,0|2,0,0]=4 408 B14R2.112 CNCC1=CC2=CC=CC=C2N=C1 CBR02295 [0,2,0,0,0,0|2,0,0]=4 409 B14R2.112 CNCC1=CC=C2N=CC=CC2=C1 CBR00241 [0,2,0,0,0,0|0,0,0]=2 410 B14R2.112 CNCC1=CC=C2N=CC=NC2=C1 CDS019761 [0,2,0,0,0,0|1,0,0]=3 411 B14R2.112 CSCC1=CC2=C(C=CC=C2)C=C1 S799173 [0,2,0,0,0,0|1,0,0]=3 412 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 L300306 [0,2,0,0,0,0|1,0,0]=3 413 B14R2.112 NNCC1=CC2=CC=CC=C2N=C1 PH019522 [0,2,0,0,0,0|2,0,0]=4 414 B14R2.112 O/N=C/C1=CC=C2C=CC=CC2=C1 PH009916 [0,2,0,0,0,0|1,0,1]=4 415 B14R2.112 OCCC1=NC2=C(C=CC=C2)C=C1 PH004940 [0,2,0,0,0,0|2,0,0]=4 416 B14R2.134 C(=O)C1=CC2=C(C=CC(=C2)C)C=C1 S943770 [0,2,0,0,0,0|1,0,0]=3 417 B14R2.134 CC1=CC2=CC(=CC=C2C=C1)C#N PH001896 [0,2,0,0,0,0|1,0,0]=3 418 B14R2.134 COC1=CC=C2C=CC(=NC2=C1)C BBO000218 [0,2,0,0,0,0|2,0,0]=4 419 B14R2.134 COC1=CC=C2N=CC(=CC2=C1)N BBO000579 [0,2,0,0,0,0|0,0,0]=2 420 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)N BBO000154 [0,2,0,0,0,0|0,0,0]=2 421 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)O BBO000208 [0,2,0,0,0,0|0,0,0]=2 422 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2C BBO000710 [0,2,0,0,0,0|0,0,0]=2 423 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2Cl BBO000696 [0,2,0,0,0,0|0,0,0]=2 424 B14R2.142 COC1=CC2=C(C=C1)OC=CC2=O PH000375 [0,2,0,0,0,0|1,0,0]=3 425 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)Br BBO000237 [0,2,0,0,0,0|0,0,0]=2 426 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)N BBO000076 [0,2,0,0,0,0|0,0,0]=2 427 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)O BBO000055 [0,2,0,0,0,0|0,0,0]=2 428 B14R2.142 COC1=CN=C2N=CC=C(C2=C1)Br PH019512 [0,2,0,0,0,0|1,0,0]=3 429 B14R2.781 CC(Br)C1=CC2=C(C=CC=C2)C=C1 PH010426 [0,2,0,0,0,0|1,0,0]=3 430 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S365653 [0,2,0,0,0,0|1,0,0]=3 431 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S393320 [0,2,0,0,0,0|1,0,0]=3 432 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 CDS020343 [0,2,0,0,0,0|1,0,0]=3 433 B14R2.781 CC(N)C1=CC=C2N=CC=CC2=C1 PH018539 [0,2,0,0,0,0|0,0,0]=2 434 B14R2.781 CN(C)C1=NC2=C(C=CC=C2)C=C1 S820369 [0,2,0,0,0,0|2,0,0]=4 435 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 PH006820 [0,2,0,0,0,0|0,0,1]=3 436 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=N1 CDS001881 [0,2,0,0,0,0|1,0,1]=4 437 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 R580694 [0,2,0,0,0,0|1,0,1]=4 438 B14R2.781 O=S(O)C1=CC2=C(C=CC=C2)C=C1 S652083 [0,2,0,0,0,0|2,0,0]=4 439 B14R2.781 OB(O)C1=CC2=NC=CN=C2C=C1 CDS013896 [0,2,0,0,0,0|2,0,0]=4 440 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S280526 [0,2,0,0,0,0|1,0,0]=3 441 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S302805 [0,2,0,0,0,0|1,0,0]=3 442 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl BBO000255 [0,2,0,0,0,0|2,0,0]=4 443 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1N BBO000545 [0,2,0,0,0,0|2,0,0]=4 444 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl BBO000118 [0,2,0,0,0,0|2,0,0]=4 445 B14R2.1128 N#CC1=CC2=CC=CN=C2N=C1N ADE000830 [0,2,0,0,0,0|1,0,1]=4 446 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [0,2,0,0,0,0|1,0,1]=4 447 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [0,2,0,0,0,0|2,0,0]=4 448 B14R2.1801 CC[N+]1=CC2=C(C=C1)C(=CC=C2)O S533661 [0,2,0,0,0,0|2,0,0]=4 449 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [0,2,0,0,0,0|1,0,0]=3 450 B14R2.1801 COC1=CC2=NC=CC(=C2C=C1)Br BBO000276 [0,2,0,0,0,0|2,0,0]=4 451 B14R2.1801 COC1=CC=C2C(=CC=NC2=C1)N BBO000569 [0,2,0,0,0,0|2,0,0]=4 452 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 OTV000443 [0,2,0,0,0,0|2,0,0]=4 453 B14R2.2332 COC1=CC=C2C=C(C=NC2=C1)N BBO000640 [0,2,0,0,0,0|2,0,0]=4 454 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)Cl BBO000233 [0,2,0,0,0,0|0,0,0]=2 455 B14R2.2332 CSC1=NC2=CC=C(C=C2C=N1)Br PHB00125 [0,2,0,0,0,0|2,0,0]=4 456 B14R2.2332 O=CC1=CC2=CC=C(C=C2C=C1)O CDS018120 [0,2,0,0,0,0|1,0,1]=4 457 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Br BBO000197 [0,2,0,0,0,0|1,0,0]=3 458 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Cl BBO000095 [0,2,0,0,0,0|1,0,0]=3 459 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000132 [0,2,0,0,0,0|1,0,0]=3 460 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Br BBO000746 [0,2,0,0,0,0|1,0,0]=3 461 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Cl BBO000064 [0,2,0,0,0,0|1,0,0]=3 462 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)F BBO000065 [0,2,0,0,0,0|1,0,0]=3 463 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000563 [0,2,0,0,0,0|2,0,0]=4 464 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000137 [0,2,0,0,0,0|2,0,0]=4 465 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1N)F BBO000546 [0,2,0,0,0,0|2,0,0]=4 466 B14R2.8239 CC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000108 [0,2,0,0,0,0|2,0,0]=4 467 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)Cl BBO000107 [0,2,0,0,0,0|0,0,0]=2 468 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)N BBO000543 [0,2,0,0,0,0|0,0,0]=2 469 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [0,2,0,0,0,0|1,0,1]=4 470 B14R2.8239 CC1=NC2=CC(=C(C=C2C=C1)C)C BBO000059 [0,2,0,0,0,0|0,0,0]=2 471 B14R2.8239 ClC1=CC2=C(C=C1)N=C(C(=N2)Cl)Cl PH016249 [0,2,0,0,0,0|2,0,0]=4 472 B14R2.8239 FC1=CC=C2N=C(C(=NC2=C1)Cl)Cl T100242 [0,2,0,0,0,0|2,0,0]=4 473 B14R2.8239 O=C1C=CC2=C(O1)C=C(C(=C2)Cl)O IDF00014 [0,2,0,0,0,0|2,0,0]=4 474 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [0,2,0,0,0,0|2,0,0]=4 475 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)C BBO000027 [0,2,0,0,0,0|2,0,0]=4 476 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Br R261793 [0,2,0,0,0,0|2,0,0]=4 477 B14R2.29365 CC1=CC(=[O+]C2=C1C=CC(=C2)O)C S32949 [0,2,0,0,0,0|2,0,0]=4 478 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=N2)O)C S385492 [0,2,0,0,0,0|2,0,0]=4 479 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [0,2,0,0,0,0|2,0,0]=4 480 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl BBO000700 [0,2,0,0,0,0|2,0,0]=4 481 B14R2.29365 CC1=NC2=CC(=CC(=C2C=C1)Cl)Cl BBO000184 [0,2,0,0,0,0|2,0,0]=4 482 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)Br BBO000214 [0,2,0,0,0,0|2,0,0]=4 483 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [0,2,0,0,0,0|2,0,0]=4 484 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Br BBO000156 [0,2,0,0,0,0|2,0,0]=4 485 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Cl BBO000157 [0,2,0,0,0,0|2,0,0]=4 486 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,2,0,0,0,0|2,0,0]=4 487 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,2,0,0,0,0|2,0,0]=4 488 B14R2.29365 CC1=NC2=CC(=CN=C2C(=N1)O)Br ADE000061 [0,2,0,0,0,0|2,0,0]=4 489 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Br BBO000235 [0,2,0,0,0,0|1,0,0]=3 490 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Cl BBO000144 [0,2,0,0,0,0|1,0,0]=3 491 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)O BBO000032 [0,2,0,0,0,0|1,0,0]=3 492 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br BBO000286 [0,2,0,0,0,0|2,0,0]=4 493 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Br CDS020781 [0,2,0,0,0,0|2,0,0]=4 494 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [0,2,0,0,0,0|2,0,0]=4 495 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [0,2,0,0,0,0|2,0,0]=4 496 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)Cl)C BBO000167 [0,2,0,0,0,0|0,0,0]=2 497 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)N)Cl BBO000160 [0,2,0,0,0,0|0,0,0]=2 498 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C BBO000048 [0,2,0,0,0,0|0,0,0]=2 499 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)Cl BBO000037 [0,2,0,0,0,0|0,0,0]=2 500 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)Cl)Br BBO000310 [0,2,0,0,0,0|1,0,0]=3 501 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl BBO000763 [0,2,0,0,0,0|1,0,0]=3 502 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl CDS019164 [0,2,0,0,0,0|1,0,0]=3 503 B14R2.8045 CC1=CC2=C(C=CN=C2C(=C1)Br)Cl BBO000314 [0,2,0,0,0,0|0,0,0]=2 504 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)Br BBO000020 [0,2,0,0,0,0|2,0,0]=4 505 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)C BBO000026 [0,2,0,0,0,0|2,0,0]=4 506 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [0,2,0,0,0,0|2,0,0]=4 507 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)Br BBO000073 [0,2,0,0,0,0|2,0,0]=4 508 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)C BBO000075 [0,2,0,0,0,0|2,0,0]=4 509 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [0,2,0,0,0,0|2,0,0]=4 510 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [0,2,0,0,0,0|2,0,0]=4 511 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [0,2,0,0,0,0|2,0,0]=4 512 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [0,2,0,0,0,0|2,0,0]=4 513 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [0,2,0,0,0,0|2,0,0]=4 514 B14R2.8045 FC1=CC2=C(C=CN=C2C(=C1)F)Cl BBO000309 [0,2,0,0,0,0|1,0,0]=3 515 B14R2.8045 NC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000761 [0,2,0,0,0,0|1,0,0]=3 516 B14R2.8045 NC1=CC=NC2=C(C=C(C=C12)Cl)Cl CDS017170 [0,2,0,0,0,0|1,0,0]=3 517 B14R2.8045 O=C1C=COC2=C(C=C(C=C12)Cl)Br IDF00069 [0,2,0,0,0,0|2,0,0]=4 518 B14R2.8045 O=C1C=COC2=C1C=C(C=C2Cl)Cl IDF00033 [0,2,0,0,0,0|2,0,0]=4 519 B14R2.8045 O=C1NC=NC2=C1C=C(C=C2Cl)Cl PH003370 [0,2,0,0,0,0|2,0,0]=4 520 B14R2.8045 OC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000178 [0,2,0,0,0,0|1,0,0]=3 521 B14R2.8045 OC1=NC=NC2=C1C=C(C=C2I)I S188085 [0,2,0,0,0,0|2,0,0]=4 522 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [0,2,0,0,0,0|1,0,0]=3 523 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Cl)Br CDS023550 [0,2,0,0,0,0|1,0,0]=3 524 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [0,2,0,0,0,0|1,0,0]=3 525 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [0,2,0,0,0,0|1,0,0]=3 526 B14R2.8235 CC1=CC(=NC2=[N+]1C=C(C=C2)Br)C S29883 [0,2,0,0,0,0|2,0,0]=4 527 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,2,0,0,0,0|2,0,0]=4 528 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [0,2,0,0,0,0|0,0,0]=2 529 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [0,2,0,0,0,0|0,0,0]=2 530 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [0,2,0,0,0,0|1,0,0]=3 531 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [0,2,0,0,0,0|1,0,0]=3 532 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [0,2,0,0,0,0|0,0,0]=2 533 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C BBO000025 [0,2,0,0,0,0|0,0,0]=2 534 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)N)C BBO000736 [0,2,0,0,0,0|0,0,0]=2 535 B14R2.8235 CC1=CC=C2N=C(NC(=O)C2=C1)N CDS000937 [0,2,0,0,0,0|1,0,0]=3 536 B14R2.8235 CC1=CN2C(=O)C=C(N=C2C=C1)O T324647 [0,2,0,0,0,0|1,0,0]=3 537 B14R2.8235 CC1=CN2C(=O)NC(=S)N=C2C=C1 PH007723 [0,2,0,0,0,0|2,0,0]=4 538 B14R2.8235 CC1=NC(=C2C=C(C=CC2=N1)F)Cl CDS021119 [0,2,0,0,0,0|2,0,0]=4 539 B14R2.8235 CC1=NC2=C(C=C(C=C2)Br)C(=O)O1 PH006909 [0,2,0,0,0,0|2,0,0]=4 540 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,2,0,0,0,0|1,0,0]=3 541 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 S188131 [0,2,0,0,0,0|2,0,0]=4 542 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)O1 PH004008 [0,2,0,0,0,0|2,0,0]=4 543 B14R2.8235 CC1=NC2=C(C=C(C=C2)F)C(=C1)Cl PH003438 [0,2,0,0,0,0|1,0,0]=3 544 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Br)Br BBO000595 [0,2,0,0,0,0|1,0,0]=3 545 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000022 [0,2,0,0,0,0|1,0,0]=3 546 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Cl BBO000070 [0,2,0,0,0,0|1,0,0]=3 547 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Br BBO000074 [0,2,0,0,0,0|1,0,0]=3 548 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Cl CBR01370 [0,2,0,0,0,0|1,0,0]=3 549 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)F BBO000077 [0,2,0,0,0,0|1,0,0]=3 550 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,2,0,0,0,0|1,0,0]=3 551 B14R2.8235 NC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 PH008190 [0,2,0,0,0,0|2,0,0]=4 552 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,2,0,0,0,0|2,0,0]=4 553 B14R2.8751 CC1=CC2=C(C=C1)[N+](=CC=[N+]2[O-])[O-] PH008341 [0,2,0,0,0,0|1,0,1]=4 554 B14R2.8751 CC1=CC=C2C(=CC=C(C2=N1)O)Cl PH008835 [0,2,0,0,0,0|2,0,0]=4 555 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)Cl)C BBO000188 [0,2,0,0,0,0|2,0,0]=4 556 B14R2.11684 CC1=CC=C2C=CC=C(C2=N1)NN PH018443 [0,2,0,0,0,0|2,0,0]=4 557 B14R2.11684 COC1=CC=CC2=C1N=C(C=C2)C S770345 [0,2,0,0,0,0|2,0,0]=4 558 B14R2.11684 NNC1=CC=NC2=C1C=C(C=C2)F PH018682 [0,2,0,0,0,0|1,0,0]=3 559 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)Br BBO000537 [0,2,0,0,0,0|1,0,0]=3 560 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)Cl BBO000538 [0,2,0,0,0,0|1,0,0]=3 561 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)F BBO000539 [0,2,0,0,0,0|1,0,0]=3 562 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)Cl)C BBO000166 [0,2,0,0,0,0|0,0,0]=2 563 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)N)C BBO000565 [0,2,0,0,0,0|0,0,0]=2 564 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)O)C BBO000192 [0,2,0,0,0,0|0,0,0]=2 565 B14R2.28472 CC1=C(C=C2C(=O)C=COC2=C1)Cl IDF00013 [0,2,0,0,0,0|2,0,0]=4 566 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)Cl BBO000607 [0,2,0,0,0,0|0,0,0]=2 567 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)N BBO000608 [0,2,0,0,0,0|0,0,0]=2 568 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,2,0,0,0,0|2,0,0]=4 569 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,2,0,0,0,0|2,0,0]=4 570 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)Cl BBO000605 [0,2,0,0,0,0|1,0,0]=3 571 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)N BBO000606 [0,2,0,0,0,0|1,0,0]=3 572 B14R2.28472 ClC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000143 [0,2,0,0,0,0|1,0,0]=3 573 B14R2.28472 NC1=CC2=C(C=C1F)N=CNC2=O T322687 [0,2,0,0,0,0|2,0,0]=4 574 B14R2.28472 NC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000564 [0,2,0,0,0,0|1,0,0]=3 575 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C BBO000165 [0,2,0,0,0,0|2,0,0]=4 576 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)N)C BBO000152 [0,2,0,0,0,0|2,0,0]=4 577 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [0,2,0,0,0,0|2,0,0]=4 578 B14R2.28480 CC1=CC(=O)C2=C(N1)C=CC=C2C R261815 [0,2,0,0,0,0|2,0,0]=4 579 B14R2.28480 CC1=CC2=NC=CC(=C2C(=C1)C)Br BBO000593 [0,2,0,0,0,0|2,0,0]=4 580 B14R3.6020 CC1=CC=C2C(=C1)C3C=CC2C3 T198617 [0,1,0,1,0,0|1,0,1]=4 581 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,1,0,1,0|2,0,0]=4 582 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,0,1,0,1,0|2,0,0]=4 583 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,0,1,0,1,0|2,0,0]=4 584 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,0,1,0,1,0|2,0,0]=4 585 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,1,0,1,0|1,0,1]=4 586 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,1,0|1,0,0]=3 587 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,1,0|1,0,0]=3 588 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,1,0|1,0,1]=4 589 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,1,0|1,0,1]=4 590 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,1,0|2,0,0]=4 591 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,1,0|2,0,0]=4 592 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [1,0,0,0,1,0|2,0,0]=4 593 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [1,0,0,0,1,0|2,0,0]=4 594 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,1,0|1,0,0]=3 595 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [1,0,0,0,1,0|2,0,0]=4 596 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [1,0,0,0,1,0|2,0,0]=4 597 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [1,0,0,0,1,0|2,0,0]=4 598 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,0,1,0|1,0,1]=4 599 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,0,1,0,0,1|1,0,1]=4 600 B14R2.280 O=C1C=CC2=CC=CC=C2C=CN1 T176486 [0,0,0,0,0,2|2,0,0]=4