0 B14R2.6 C1=CC=C(OC2=CC=CN=C2)C=C1 NO22395 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.6 C1=CC=C(OC2=CC=NC=C2)C=C1 NO19081 [0,0,0,0,0,0|1,0,0]=1 2 B14R2.6 C1=CN=C(NC2=NC=CC=C2)C=C1 DY510933 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.6 c1cc(Sc2ccncc2)ccn1 DY584483 [0,0,0,0,0,0|2,1,0]=3 4 B14R2.6 c1ccc(Nc2ncccn2)cc1 DY10095 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.6 c1ccc([I+]c2ccccc2)cc1 DY440254 [0,0,0,0,0,0|1,0,0]=1 6 B14R2.6 c1ccc([Pt]c2ccccc2)cc1 DY512967 [0,0,0,0,0,0|1,0,0]=1 7 B15R2.29 BrC1=CC=C(NC2=CC=CC=C2)C=C1 NO22680 [0,1,0,0,0,0|1,0,0]=2 8 B15R2.29 BrC1=CC=C(OC2=CC=CC=C2)C=C1 NO22679 [0,1,0,0,0,0|0,0,0]=1 9 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)C=C1 NO13020 [0,1,0,0,0,0|1,0,0]=2 10 B15R2.29 BrC1=CN=C(OC2=NC=CC=C2)N=C1 DY659498 [0,1,0,0,0,0|3,0,0]=4 11 B15R2.29 BrC1=NC=C(OC2=CC=CC=C2)N=C1 DY455640 [0,1,0,0,0,0|2,0,0]=3 12 B15R2.29 CC1=CC=C(OC2=CC=CC=C2)C=C1 NO20766 [0,1,0,0,0,0|0,0,0]=1 13 B15R2.29 Cc1ccc(Nc2ccccc2)cc1 NO11831 [0,1,0,0,0,0|1,0,0]=2 14 B15R2.29 ClC1=CC=C(OC2=CC=CC=C2)C=C1 DY20068 [0,1,0,0,0,0|0,0,0]=1 15 B15R2.29 ClC1=CC=C(OC2=CC=CC=C2)N=N1 DY737060 [0,1,0,0,0,0|2,0,0]=3 16 B15R2.29 NC1=CC=C(OC2=CC=CN=C2)C=C1 NO12451 [0,1,0,0,0,0|1,0,0]=2 17 B15R2.29 OC1=CC=C(OC2=CC=CC=C2)C=C1 DY20953 [0,1,0,0,0,0|0,0,0]=1 18 B15R2.29 SC1=CC=C(OC2=CC=CC=C2)C=C1 DY795015 [0,1,0,0,0,0|0,0,0]=1 19 B15R2.31 BrC1=CC=CC(OC2=NC=CN=C2)=C1 DY585864 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.31 BrC1=CC=C[N+](CC2=CC=CC=C2)=C1 DY580575 [0,1,0,0,0,0|2,0,0]=3 21 B15R2.31 BrC1=CN=CC(NC2=CC=CC=C2)=C1 DY451390 [0,1,0,0,0,0|2,0,0]=3 22 B15R2.31 ClC1=NC=NC(OC2=CC=CC=C2)=C1 NO12324 [0,1,0,0,0,0|2,0,0]=3 23 B15R2.31 IC1=CC=CC(OC2=NC=CC=N2)=C1 DY692920 [0,1,0,0,0,0|2,0,0]=3 24 B15R2.31 NC1=CC(OC2=NC=CC=C2)=CC=C1 DY656728 [0,1,0,0,0,0|1,0,0]=2 25 B15R2.31 NC1=CC(OC2=NC=CN=C2)=CC=C1 DY710059 [0,1,0,0,0,0|2,0,0]=3 26 B15R2.31 NC1=CC=CC(NC2=CC=CC=C2)=C1 NO16106 [0,1,0,0,0,0|1,0,0]=2 27 B15R2.31 OC1=CC(CC2=CC=CC=C2)=CC=C1 NO19745 [0,1,0,0,0,0|1,0,0]=2 28 B15R2.31 OC1=CC(CC2=CC=CC=C2)=CN=C1 DY612052 [0,1,0,0,0,0|2,0,0]=3 29 B15R2.38 BrC1=NC=CC=C1OC2=NC=CC=N2 DY653761 [0,1,0,0,0,0|3,0,0]=4 30 B15R2.38 ClC1=C(CC2=CC=CC=C2)C=CC=C1 DY794055 [0,1,0,0,0,0|1,0,0]=2 31 B15R2.38 ClC1=C(NC2=CC=CC=C2)C=CC=C1 DY584980 [0,1,0,0,0,0|1,0,0]=2 32 B15R2.38 ClC1=C(OC2=CC=CC=C2)C=CC=C1 DY793755 [0,1,0,0,0,0|0,0,0]=1 33 B15R2.38 NC1=C(CC2=CC=CC=C2)C=CN=C1 DY658153 [0,1,0,0,0,0|2,0,0]=3 34 B15R2.38 NC1=C(NC2=CC=CC=C2)C=CN=C1 DY663845 [0,1,0,0,0,0|2,0,0]=3 35 B15R2.38 NC1=C(SC2=NC=CC=N2)C=CC=C1 DY693154 [0,1,0,0,0,0|2,1,0]=4 36 B15R2.38 NC1=CC=CC=C1SC2=CC=CC=C2 DY20575 [0,1,0,0,0,0|0,1,0]=2 37 B15R2.38 NC1=NC=CC=C1OC2=CC=CC=C2 NO17614 [0,1,0,0,0,0|1,0,0]=2 38 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 NO14092 [0,1,0,0,0,0|1,0,0]=2 39 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 DY20802 [0,1,0,0,0,0|1,0,0]=2 40 B15R2.2226 CN(C1=CC=CC=C1)C2=CC=CC=C2 DY460278 [0,1,0,0,0,0|1,0,0]=2 41 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 DY558813 [0,1,0,0,0,0|1,0,0]=2 42 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 NO10990 [0,1,0,0,0,0|1,0,0]=2 43 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CN=N2 DY736934 [0,1,0,0,0,0|3,0,0]=4 44 B15R2.2226 NC(C1=CC=CC=C1)C2=NC=CC=C2 NO12986 [0,1,0,0,0,0|2,0,0]=3 45 B15R2.2226 N[NH+](C1=CC=CC=C1)C2=CC=CC=C2 DY20411 [0,1,0,0,0,0|1,0,0]=2 46 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 NO19945 [0,1,0,0,0,0|2,0,0]=3 47 B15R2.2226 O=C(C1=CC=CN=C1)C2=NC=CC=C2 DY601193 [0,1,0,0,0,0|3,0,0]=4 48 B15R2.2226 O=C(C1=NC=CC=C1)C2=NC=CC=C2 NO11214 [0,1,0,0,0,0|3,0,0]=4 49 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 NO11269 [0,1,0,0,0,0|0,1,0]=2 50 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 NO16259 [0,1,0,0,0,0|1,0,0]=2 51 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=NC=C2 DY663881 [0,1,0,0,0,0|2,0,0]=3 52 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)O2 NO10096 [0,0,0,1,0,0|0,0,0]=1 53 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 DY21057 [0,0,0,1,0,0|1,0,0]=2 54 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=N3 NO17369 [0,0,0,1,0,0|2,0,0]=3 55 B13R2.3 C1=CC(C2=CC=NC=C2)=CC=N1 DY20512 [0,0,0,0,1,0|2,0,0]=3 56 B13R2.3 C1=CC=C(C2=CC=CN=N2)C=C1 NO22399 [0,0,0,0,1,0|2,0,0]=3 57 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 NO11547 [0,0,0,0,1,0|1,0,0]=2 58 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 NO13333 [0,0,0,0,1,0|2,0,0]=3 59 B13R2.3 C1=CN=CC(C2=NC=CC=C2)=C1 DY561645 [0,0,0,0,1,0|2,0,0]=3 60 B13R2.3 c1ccc(-c2ccccn2)cc1 DY114970 [0,0,0,0,1,0|1,0,0]=2 61 B13R2.64 C1=CC=C(NC2=NC=CN2)C=C1 DY726097 [0,0,0,0,1,0|3,0,0]=4 62 B15R2.2195 C1=CC(CCC2=CC=NC=C2)=CC=N1 DY584476 [0,0,0,0,0,1|3,0,0]=4 63 B15R2.2195 C1=CN=C(\N=N\C2=NC=CC=C2)C=C1 DY553737 [0,0,0,0,0,1|3,0,0]=4 64 B15R2.2195 c1cc(\N=N\c2ccncc2)ccn1 DY584446 [0,0,0,0,0,1|3,0,0]=4 65 B14R2.21 BrC1=CC(C2=CC=CC=C2)=CN=C1 DY453148 [0,1,0,0,1,0|1,0,0]=3 66 B14R2.21 BrC1=CC=CC(C2=CC=CC=C2)=C1 DY440338 [0,1,0,0,1,0|0,0,0]=2 67 B14R2.21 BrC1=CC=CC(C2=CC=CN=C2)=N1 DY431787 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.21 BrC1=CC=CC(C2=NC=CC=C2)=C1 NO20850 [0,1,0,0,1,0|1,0,0]=3 69 B14R2.21 BrC1=CC=CC(C2=NC=CC=N2)=C1 DY692908 [0,1,0,0,1,0|2,0,0]=4 70 B14R2.21 BrC1=NC=CC(C2=CC=CC=C2)=C1 NO21366 [0,1,0,0,1,0|1,0,0]=3 71 B14R2.21 CC1=CC(C2=NC=CC=C2)=CC=C1 NO17337 [0,1,0,0,1,0|1,0,0]=3 72 B14R2.21 CC1=CC=CC(C2=NC=CC=C2)=N1 DY560547 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.21 ClC1=CC(C2=NC=CC=C2)=NC=C1 DY522513 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.21 ClC1=NC=CC(C2=CC=CC=C2)=C1 NO21454 [0,1,0,0,1,0|1,0,0]=3 75 B14R2.21 ClC1=NC=CC(C2=CC=NC=C2)=C1 NO16328 [0,1,0,0,1,0|2,0,0]=4 76 B14R2.21 FC1=CC(C2=CC=CC=C2)=CN=C1 DY451738 [0,1,0,0,1,0|1,0,0]=3 77 B14R2.21 IC1=CC=CC(C2=CC=CC=C2)=C1 DY440140 [0,1,0,0,1,0|0,0,0]=2 78 B14R2.21 NC1=CC(C2=CC=CC=C2)=CN=C1 NO18231 [0,1,0,0,1,0|1,0,0]=3 79 B14R2.21 NC1=CC(C2=CC=CC=C2)=NC=C1 NO18164 [0,1,0,0,1,0|1,0,0]=3 80 B14R2.21 NC1=CC(C2=CC=CN=C2)=CC=C1 NO22404 [0,1,0,0,1,0|1,0,0]=3 81 B14R2.21 NC1=CC(C2=NC=CC=C2)=CC=C1 NO20847 [0,1,0,0,1,0|1,0,0]=3 82 B14R2.21 NC1=CC=CC([N+]2=CC=CC=C2)=C1 NO18080 [0,1,0,0,1,0|1,0,0]=3 83 B14R2.21 NC1=CN=CC(C2=CC=NC=C2)=C1 DY664448 [0,1,0,0,1,0|2,0,0]=4 84 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 NO18288 [0,1,0,0,1,0|1,0,0]=3 85 B14R2.21 NC1=NC(C2=CC=CC=C2)=NC=C1 DY549453 [0,1,0,0,1,0|2,0,0]=4 86 B14R2.21 NC1=NC=CC(C2=CC=CC=C2)=C1 NO18394 [0,1,0,0,1,0|1,0,0]=3 87 B14R2.21 NC1=NC=CC(C2=CC=CN=C2)=C1 NO17695 [0,1,0,0,1,0|2,0,0]=4 88 B14R2.21 O=C1C=C(C2=CC=CC=C2)NC=N1 DY556515 [0,1,0,0,1,0|2,0,0]=4 89 B14R2.21 O=C1C=COC(C2=CC=CC=C2)=C1 DY777424 [0,1,0,0,1,0|1,0,0]=3 90 B14R2.21 OC1=NC=CC(C2=CC=CC=C2)=C1 NO21589 [0,1,0,0,1,0|1,0,0]=3 91 B14R2.21 OC1=NC=CC(C2=CC=CC=C2)=N1 DY694445 [0,1,0,0,1,0|2,0,0]=4 92 B14R2.24 BrC1=C(C2=CC=CC=C2)C=CC=C1 NO21390 [0,1,0,0,1,0|0,0,0]=2 93 B14R2.24 BrC1=CC=CN=C1C2=CC=CC=C2 NO22141 [0,1,0,0,1,0|1,0,0]=3 94 B14R2.24 BrC1=NC=CC=C1C2=CC=CC=C2 DY432310 [0,1,0,0,1,0|1,0,0]=3 95 B14R2.24 CC1=C(C2=NC=CC=C2)C=CC=C1 DY654630 [0,1,0,0,1,0|1,0,0]=3 96 B14R2.24 CC1=C(C2=NC=CC=N2)C=CC=C1 DY535227 [0,1,0,0,1,0|2,0,0]=4 97 B14R2.24 CC1=C(C2=NC=CN=C2)C=CC=C1 DY710623 [0,1,0,0,1,0|2,0,0]=4 98 B14R2.24 CC1=CC=CN=C1C2=CC=CC=C2 DY445619 [0,1,0,0,1,0|1,0,0]=3 99 B14R2.24 CC1=NC=CN=C1C2=CC=CC=C2 DY710575 [0,1,0,0,1,0|2,0,0]=4 100 B14R2.24 ClC1=C(C2=CC=CC=C2)C=CN=N1 DY736532 [0,1,0,0,1,0|2,0,0]=4 101 B14R2.24 FC1=C(C2=NC=CC=C2)C=CC=C1 DY653810 [0,1,0,0,1,0|1,0,0]=3 102 B14R2.24 NC1=C(C2=CC=CC=C2)C=CN=C1 DY524733 [0,1,0,0,1,0|1,0,0]=3 103 B14R2.24 NC1=CC=CC=C1C2=CC=CC=C2 NO16247 [0,1,0,0,1,0|0,0,0]=2 104 B14R2.24 NC1=CC=CN=C1C2=CC=NC=C2 DY585878 [0,1,0,0,1,0|2,0,0]=4 105 B14R2.24 NC1=NC=CC=C1C2=CC=CC=C2 NO18524 [0,1,0,0,1,0|1,0,0]=3 106 B14R2.24 OC1=C(C2=CC=CC=C2)C=CC=C1 DY20471 [0,1,0,0,1,0|0,0,0]=2 107 B14R2.24 OC1=C(C2=CC=NC=C2)C=CN=C1 DY664454 [0,1,0,0,1,0|2,0,0]=4 108 B14R2.24 OC1=CC=CN=C1C2=CC=CC=C2 DY115932 [0,1,0,0,1,0|1,0,0]=3 109 B14R2.24 OC1=NC=CC=C1C2=CC=CC=C2 NO21579 [0,1,0,0,1,0|1,0,0]=3 110 B14R2.24 [O-]C1=CC=CC=C1C2=CC=CC=C2 NO11082 [0,1,0,0,1,0|0,0,0]=2 111 B14R2.68 BrC1=CC=C(C2=CC=CC=C2)C=C1 NO10097 [0,1,0,0,1,0|0,0,0]=2 112 B14R2.68 BrC1=CC=C(C2=CC=CN=C2)C=C1 NO18693 [0,1,0,0,1,0|1,0,0]=3 113 B14R2.68 BrC1=CC=C(C2=CC=NC=C2)C=C1 NO15419 [0,1,0,0,1,0|1,0,0]=3 114 B14R2.68 BrC1=CC=C(C2=NC=CC=C2)C=C1 NO20863 [0,1,0,0,1,0|1,0,0]=3 115 B14R2.68 BrC1=NC=C(C2=CC=CC=C2)C=C1 DY505137 [0,1,0,0,1,0|1,0,0]=3 116 B14R2.68 ClC1=CC=C(C2=CC=CC=C2)N=N1 NO11265 [0,1,0,0,1,0|2,0,0]=4 117 B14R2.68 ClC1=CC=C(C2=CC=CN=C2)C=C1 DY448564 [0,1,0,0,1,0|1,0,0]=3 118 B14R2.68 ClC1=CC=C(C2=CC=NC=C2)C=C1 NO18387 [0,1,0,0,1,0|1,0,0]=3 119 B14R2.68 ClC1=CN=C(C2=CC=CC=C2)C=C1 DY451630 [0,1,0,0,1,0|1,0,0]=3 120 B14R2.68 FC1=CC=C(C2=CC=CC=C2)C=C1 DY20470 [0,1,0,0,1,0|0,0,0]=2 121 B14R2.68 IC1=CC=C(C2=CC=CC=C2)C=C1 NO13772 [0,1,0,0,1,0|0,0,0]=2 122 B14R2.68 NC1=CC=C(C2=CC=CC=C2)C=C1 NO19418 [0,1,0,0,1,0|0,0,0]=2 123 B14R2.68 NC1=CC=C(C2=CC=CN=C2)C=N1 NO15417 [0,1,0,0,1,0|2,0,0]=4 124 B14R2.68 NC1=CC=C(C2=CC=CN=C2)C=N1 NO17678 [0,1,0,0,1,0|2,0,0]=4 125 B14R2.68 NC1=CC=C(C2=CC=NC=C2)C=C1 NO22470 [0,1,0,0,1,0|1,0,0]=3 126 B14R2.68 NC1=CC=C(C2=NC=CC=C2)C=C1 NO22435 [0,1,0,0,1,0|1,0,0]=3 127 B14R2.68 NC1=CC=C(C2=NC=CC=C2)C=N1 NO17273 [0,1,0,0,1,0|2,0,0]=4 128 B14R2.68 NC1=CC=C([N+]2=CC=CC=C2)C=C1 NO18079 [0,1,0,0,1,0|1,0,0]=3 129 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 NO18244 [0,1,0,0,1,0|1,0,0]=3 130 B14R2.68 O=C1C=CC(C2=CC=CC=C2)=NN1 NO10761 [0,1,0,0,1,0|2,0,0]=4 131 B14R2.68 O=C1C=CC(C2=NC=CC=C2)=CN1 DY425828 [0,1,0,0,1,0|2,0,0]=4 132 B14R2.68 OC1=CC=C(C2=CC=CC=C2)C=C1 DY41211 [0,1,0,0,1,0|0,0,0]=2 133 B14R2.68 OC1=CC=C(C2=CC=CN=C2)C=C1 DY567057 [0,1,0,0,1,0|1,0,0]=3 134 B14R2.68 OC1=CC=C(C2=NC=CC=C2)C=C1 NO16270 [0,1,0,0,1,0|1,0,0]=3 135 B14R2.72 NC1=CC=C(OC2=NC=CS2)C=C1 DY456209 [0,1,0,0,1,0|2,0,0]=4 136 B14R2.114 O=C(C1=CC=CC=C1)C2=CNC=C2 DY718341 [0,1,0,0,1,0|2,0,0]=4 137 B16R2.71 C[N+]1=C(OCC2=CC=CC=C2)C=CC=C1 DY577197 [0,1,0,0,0,1|1,0,0]=3 138 B16R2.71 ClC1=C(CNC2=CC=CN=C2)C=CC=C1 DY663104 [0,1,0,0,0,1|2,0,0]=4 139 B16R2.71 NC1=C(NCC2=CC=CC=C2)C=NC=C1 NO16195 [0,1,0,0,0,1|2,0,0]=4 140 B16R2.71 NC1=C(OCC2=CC=NC=C2)C=CN=C1 DY657997 [0,1,0,0,0,1|2,0,0]=4 141 B16R2.71 NC1=CC=CN=C1NCC2=CC=CC=C2 DY663803 [0,1,0,0,0,1|2,0,0]=4 142 B16R2.71 O=C1C=COC=C1OCC2=CC=CC=C2 NO16499 [0,1,0,0,0,1|1,0,0]=3 143 B16R2.88 CC(NC1=CC=CC=C1)C2=NC=CC=C2 DY663020 [0,1,0,0,0,1|2,0,0]=4 144 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 NO16825 [0,1,0,0,0,1|2,0,0]=4 145 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=NC=C2 DY663863 [0,1,0,0,0,1|1,0,0]=3 146 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)C=C1 NO22610 [0,1,0,0,0,1|0,0,0]=2 147 B16R2.132 BrC1=CC=C(\C=C\C2=CC=NC=C2)C=C1 DY713941 [0,1,0,0,0,1|2,0,0]=4 148 B16R2.132 ClC1=CC=C(OCC2=CC=CC=C2)N=N1 NO22231 [0,1,0,0,0,1|2,0,0]=4 149 B16R2.132 NC1=CC=C(NCC2=CC=CC=C2)C=C1 DY585136 [0,1,0,0,0,1|1,0,0]=3 150 B16R2.132 NC1=CC=C(NCC2=CC=CC=C2)C=C1 DY603843 [0,1,0,0,0,1|1,0,0]=3 151 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 NO14666 [0,1,0,0,0,1|0,0,0]=2 152 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)N=C1 DY570597 [0,1,0,0,0,1|1,0,0]=3 153 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 NO13426 [0,1,0,0,0,1|0,0,0]=2 154 B16R2.252 BrC1=CC(NCC2=CC=CC=C2)=NC=C1 DY663526 [0,1,0,0,0,1|2,0,0]=4 155 B16R2.252 BrC1=CC=CC(NCC2=CC=CC=C2)=N1 DY663544 [0,1,0,0,0,1|2,0,0]=4 156 B16R2.252 CC1=CC=CC(NCC2=CC=CC=C2)=N1 DY716270 [0,1,0,0,0,1|2,0,0]=4 157 B16R2.252 ClC1=CC(OCC2=CC=CC=C2)=NC=C1 NO17268 [0,1,0,0,0,1|1,0,0]=3 158 B16R2.252 ClC1=CC=CC(NCC2=CC=CN=C2)=C1 DY586353 [0,1,0,0,0,1|2,0,0]=4 159 B16R2.252 ClC1=CN=CC(OCC2=CC=CC=C2)=N1 NO20891 [0,1,0,0,0,1|2,0,0]=4 160 B16R2.252 NC1=CC(OCC2=CC=CC=C2)=CC=C1 NO22120 [0,1,0,0,0,1|0,0,0]=2 161 B16R2.252 NC1=NC=CC(CCC2=CC=CC=C2)=C1 DY585886 [0,1,0,0,0,1|2,0,0]=4 162 B16R2.252 O=C1C=C(OCC2=CC=CC=C2)C=CN1 NO22606 [0,1,0,0,0,1|1,0,0]=3 163 B16R2.252 OC1=CC(NCC2=CC=CC=C2)=CC=C1 DY555579 [0,1,0,0,0,1|1,0,0]=3 164 B16R2.2 C#CC1=CC=C(OC2=CC=CC=C2)C=C1 NO11960 [0,2,0,0,0,0|0,0,0]=2 165 B16R2.2 C=CC1=CC=C(OC2=CC=CC=C2)C=C1 NO23031 [0,2,0,0,0,0|0,0,0]=2 166 B16R2.2 COC1=CC=C(NC2=CC=NC=C2)C=C1 DY711613 [0,2,0,0,0,0|2,0,0]=4 167 B16R2.2 ClCC1=CC=C(OC2=CC=CC=C2)N=N1 DY585814 [0,2,0,0,0,0|2,0,0]=4 168 B16R2.2 NCC1=CC=C(OC2=CC=CC=C2)C=C1 NO23030 [0,2,0,0,0,0|0,0,0]=2 169 B16R2.33 BrC1=CC=C(OC2=CC=C(Br)C=C2)C=C1 NO11037 [0,2,0,0,0,0|0,0,0]=2 170 B16R2.33 CC1=CC=C(CC2=CC=C(Cl)C=C2)C=C1 DY788865 [0,2,0,0,0,0|1,0,0]=3 171 B16R2.33 CC1=CC=C(OC2=CC=C(N)C=N2)C=C1 DY660711 [0,2,0,0,0,0|1,0,0]=3 172 B16R2.33 Cc1ccc(Nc2ccc(C)cc2)cc1 DY563757 [0,2,0,0,0,0|1,0,0]=3 173 B16R2.33 FC1=CC=C(PC2=CC=C(F)C=C2)C=C1 DY115276 [0,2,0,0,0,0|1,0,0]=3 174 B16R2.33 NC1=CC=C(NC2=CC=C(N)C=C2)C=C1 DY796191 [0,2,0,0,0,0|1,0,0]=3 175 B16R2.33 NC1=CC=C(OC2=NC=C(Br)C=N2)C=C1 NO12447 [0,2,0,0,0,0|2,0,0]=4 176 B16R2.33 OC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1 DY10357 [0,2,0,0,0,0|0,0,0]=2 177 B16R2.120 C=C(C1=CC=CC=C1)C2=CC=C(Cl)C=C2 DY792459 [0,2,0,0,0,0|1,0,0]=3 178 B16R2.120 CC1=CC=C(C(=O)C2=CC=CC=C2)C=C1 NO22967 [0,2,0,0,0,0|1,0,0]=3 179 B16R2.120 CC1=CC=C([C@H](O)C2=CC=CC=C2)C=C1 DY822249 [0,2,0,0,0,0|1,0,0]=3 180 B16R2.120 NC(C1=CC=CC=C1)C2=CC=C(Cl)C=C2 DY558501 [0,2,0,0,0,0|1,0,0]=3 181 B16R2.120 NC(C1=CC=CC=C1)C2=CNC(=O)C=C2 DY659174 [0,2,0,0,0,0|2,0,0]=4 182 B16R2.120 N[C@H](C1=CC=CC=C1)C2=NC=C(Br)C=C2 DY621362 [0,2,0,0,0,0|2,0,0]=4 183 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(Cl)N=C2 DY651788 [0,2,0,0,0,0|2,0,0]=4 184 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(F)C=C2 DY41302 [0,2,0,0,0,0|1,0,0]=3 185 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(I)N=C2 DY651812 [0,2,0,0,0,0|2,0,0]=4 186 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(O)C=C2 DY507542 [0,2,0,0,0,0|1,0,0]=3 187 B16R2.120 O=C(C1=CC=NC=C1)C2=CC=C(Br)C=C2 DY524553 [0,2,0,0,0,0|2,0,0]=4 188 B16R2.120 O=C(C1=CC=NC=C1)C2=CC=C(Cl)C=C2 DY651295 [0,2,0,0,0,0|2,0,0]=4 189 B16R2.120 OC(C1=CC=C(Br)C=C1)C2=NC=CC=C2 DY574287 [0,2,0,0,0,0|2,0,0]=4 190 B16R2.120 OC(C1=CC=CC=C1)C2=CC=C(Br)C=C2 DY546813 [0,2,0,0,0,0|1,0,0]=3 191 B16R2.120 O[C@H](C1=CC=C(Cl)C=C1)C2=NC=CC=C2 DY822248 [0,2,0,0,0,0|2,0,0]=4 192 B16R2.124 Cc1ccc(Nc2ccccc2)cc1C NO13843 [0,2,0,0,0,0|1,0,0]=3 193 B16R2.124 NC1=CC=C(OC2=CC=CC=C2)C=C1N DY521445 [0,2,0,0,0,0|0,0,0]=2 194 B16R2.124 NC1=CC=C(SC2=CC=CC=C2)C=C1N NO11635 [0,2,0,0,0,0|0,1,0]=3 195 B16R2.131 ClC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1 NO21931 [0,2,0,0,0,0|0,0,0]=2 196 B16R2.131 Fc1ccc(Oc2cccc(I)c2)cc1 DY584959 [0,2,0,0,0,0|0,0,0]=2 197 B16R2.131 NC1=CC=C(OC2=CC(F)=CC=C2)N=C1 DY582543 [0,2,0,0,0,0|1,0,0]=3 198 B16R2.312 CC1=C(OC2=CC=CC=C2)N=CC(N)=C1 DY660212 [0,2,0,0,0,0|1,0,0]=3 199 B16R2.312 NC1=CC(Cl)=C(OC2=CC=CC=C2)C=C1 DY20508 [0,2,0,0,0,0|0,0,0]=2 200 B16R2.312 NC1=CC(Cl)=C(OC2=CC=CN=C2)C=C1 DY657114 [0,2,0,0,0,0|1,0,0]=3 201 B16R2.1129 CC1=CC=C(NC2=NC=CC=C2N)C=C1 DY663791 [0,2,0,0,0,0|2,0,0]=4 202 B16R2.1129 ClC1=C(OC2=NC=C(Br)C=C2)C=CC=C1 DY452038 [0,2,0,0,0,0|1,0,0]=3 203 B16R2.23 COC1=CC=CC(SC2=CC=CC=C2)=C1 DY822018 [0,2,0,0,0,0|0,1,0]=3 204 B16R2.23 O=CC1=CC(OC2=CC=CC=C2)=CC=C1 NO11800 [0,2,0,0,0,0|0,0,0]=2 205 B16R2.23 O=CC1=NC(OC2=CC=CC=C2)=CC=C1 DY661321 [0,2,0,0,0,0|1,0,0]=3 206 B16R2.236 CC1=CC(C(=O)C2=CC=CN=C2)=CC=C1 DY663917 [0,2,0,0,0,0|2,0,0]=4 207 B16R2.236 CC1=CC=CC(C(N)C2=CC=CC=C2)=C1 DY606039 [0,2,0,0,0,0|1,0,0]=3 208 B16R2.236 CN(C1=CC=CC=C1)C2=NC(Br)=CC=C2 DY660946 [0,2,0,0,0,0|2,0,0]=4 209 B16R2.236 NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1 DY427299 [0,2,0,0,0,0|1,0,0]=3 210 B16R2.236 O=C(C1=CC=CC=C1)C2=CC(Br)=CC=C2 NO11945 [0,2,0,0,0,0|1,0,0]=3 211 B16R2.236 O=C(C1=CC=CC=C1)C2=CC(Br)=CN=C2 NO16627 [0,2,0,0,0,0|2,0,0]=4 212 B16R2.236 O=C(C1=CC=CC=C1)C2=CC(Cl)=CC=C2 NO11950 [0,2,0,0,0,0|1,0,0]=3 213 B16R2.236 O=C(C1=CC=CC=C1)C2=CC(O)=CC=C2 DY584671 [0,2,0,0,0,0|1,0,0]=3 214 B16R2.251 CC1=CC(NC2=CC=CC(C)=C2)=CC=C1 DY564111 [0,2,0,0,0,0|1,0,0]=3 215 B16R2.251 CC1=CN=CC(OC2=CC=CC(N)=C2)=N1 DY710023 [0,2,0,0,0,0|2,0,0]=4 216 B16R2.251 NC1=CC(OC2=CC=CC(N)=C2)=CC=C1 NO21819 [0,2,0,0,0,0|0,0,0]=2 217 B16R2.251 OC1=CC(NC2=CC=CC(O)=C2)=CC=C1 DY686719 [0,2,0,0,0,0|1,0,0]=3 218 B16R2.2822 NC1=NC(OC2=CC=CC=C2)=CC(F)=N1 DY694379 [0,2,0,0,0,0|2,0,0]=4 219 B16R2.2923 NC1=C(OC2=CC(Cl)=CC=C2)C=CC=C1 DY602485 [0,2,0,0,0,0|0,0,0]=2 220 B16R2.172 N#CC1=C(OC2=CC=CC=C2)N=CC=C1 DY656103 [0,2,0,0,0,0|1,0,0]=3 221 B16R2.172 NCC1=C(OC2=CC=CC=C2)C=CC=C1 NO13163 [0,2,0,0,0,0|0,0,0]=2 222 B16R2.3259 CC1=CC=CC(O)=C1CC2=CC=CC=C2 DY772149 [0,2,0,0,0,0|1,0,0]=3 223 B16R2.3259 CC1=NC=CC(N)=C1CC2=CC=CC=C2 DY524835 [0,2,0,0,0,0|2,0,0]=4 224 B16R2.3259 NC1=C(OC2=CC=CN=C2)C(Cl)=CC=C1 DY657090 [0,2,0,0,0,0|1,0,0]=3 225 B16R2.3896 CC1=C(C(N)C2=CC=CC=C2)C=CC=C1 DY606111 [0,2,0,0,0,0|1,0,0]=3 226 B16R2.3896 NC1=C(C(=O)C2=CC=CC=C2)C=CC=C1 NO19893 [0,2,0,0,0,0|1,0,0]=3 227 B16R2.3896 NC1=C(C(=O)C2=NC=CC=C2)C=CC=C1 DY650791 [0,2,0,0,0,0|2,0,0]=4 228 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(F)C=CC=C2 NO21561 [0,2,0,0,0,0|1,0,0]=3 229 B16R2.3896 O=C(C1=NC=CC=C1)C2=C(F)C=CC=C2 DY713431 [0,2,0,0,0,0|2,0,0]=4 230 B16R2.4062 NC1=C(OC2=C(N)C=CC=C2)C=CC=C1 NO20984 [0,2,0,0,0,0|0,0,0]=2 231 B16R2.4062 NC1=C(SC2=C(N)C=CC=C2)C=CC=C1 DY561963 [0,2,0,0,0,0|0,1,0]=3 232 B16R2.187 N#CC(C1=CC=CC=C1)C2=NC=CC=C2 NO11796 [0,2,0,0,0,0|2,0,0]=4 233 B16R2.187 NN=C(C1=CC=CC=C1)C2=CC=CC=C2 DY20153 [0,2,0,0,0,0|1,0,0]=3 234 B16R2.187 O\N=C(\C1=CC=CC=C1)C2=NC=CC=C2 DY711757 [0,2,0,0,0,0|2,0,0]=4 235 B16R2.2945 CC(O)(C1=CC=CC=C1)C2=CC=CC=C2 DY772059 [0,2,0,0,0,0|1,0,0]=3 236 B16R2.2945 O=P(Cl)(C1=CC=CC=C1)C2=CC=CC=C2 DY525777 [0,2,0,0,0,0|1,0,0]=3 237 B16R2.2945 O=S(=O)(C1=CC=CC=C1)C2=NC=CC=C2 NO14419 [0,2,0,0,0,0|1,1,0]=4 238 B14R2.112 C=CCC1=CC2=CC=CC=C2C=C1 DY763349 [0,0,1,1,0,0|1,0,1]=4 239 B16R3.9 C1=CC2=CN=C3C=CC=CC3=C2C=C1 DY41805 [0,0,0,1,0,1|1,0,0]=3 240 B16R3.2583 BrC1=CC2=C(C=C1)NC3=CC=CC=C32 NO11767 [0,1,0,1,0,0|1,0,0]=3 241 B16R3.2583 BrC1=CC2=C(C=C1)SC3=C2C=CC=C3 NO21393 [0,1,0,1,0,0|0,1,0]=3 242 B16R3.2583 OC1=CC2=C(C=C1)OC3=C2C=CC=C3 DY440128 [0,1,0,1,0,0|0,0,0]=2 243 B16R3.2637 BrC1=CC2=C(C=C1)C3=CC=CC=C3C2 NO18867 [0,1,0,1,0,0|1,0,0]=3 244 B16R3.2637 BrC1=CC2=C(C=C1)C3=CC=CC=C3N2 NO16624 [0,1,0,1,0,0|1,0,0]=3 245 B16R3.2637 OC1=CC2=C(C=C1)C3=CC=CC=C3N2 DY440008 [0,1,0,1,0,0|1,0,0]=3 246 B16R3.27838 BrC1=C2C(=CC=C1)CC3=C2C=NC=C3 DY714572 [0,1,0,1,0,0|2,0,0]=4 247 B16R3.27838 BrC1=CC=CC2=C1C3=CC=CC=C3N2 DY21083 [0,1,0,1,0,0|1,0,0]=3 248 B16R3.27838 FC1=CC=CC2=C1C3=C(C=CC=C3)O2 DY454515 [0,1,0,1,0,0|0,0,0]=2 249 B16R3.1720 C1=CC=C2N=C3C=CC=CC3=CC2=C1 DY454467 [0,1,0,1,0,0|1,0,0]=3 250 B16R3.1720 C1=CC=C2N=C3C=CC=CC3=NC2=C1 DY460614 [0,1,0,1,0,0|1,0,0]=3 251 B16R3.1720 C1=CC=C2OC3=NC=CC=C3CC2=C1 DY678267 [0,1,0,1,0,0|1,0,0]=3 252 B16R3.1720 C1=CC=C2SC3=C(C=CC=C3)NC2=C1 DY580065 [0,1,0,1,0,0|0,1,0]=3 253 B16R3.1720 c1ccc2c(c1)Cc3ccccc3N2 DY454473 [0,1,0,1,0,0|1,0,0]=3 254 B16R3.3329 ClC1=NC=NC2=C1OC3=C2C=CC=C3 NO22785 [0,1,0,1,0,0|2,0,0]=4 255 B16R3.3329 IC1=CC=CC2=C1OC3=C2C=CC=C3 DY676700 [0,1,0,1,0,0|0,0,0]=2 256 B16R3.20606 CN1C2=CC=CC=C2C3=C1C=CC=C3 DY791625 [0,1,0,1,0,0|1,0,0]=3 257 B16R3.20606 O=C1C2=CC=CC=C2C3=C1C=CC=C3 NO14537 [0,1,0,1,0,0|1,0,0]=3 258 B16R3.20606 O=[Se]1C2=C(C=CC=C2)C3=C1C=CC=C3 DY681912 [0,1,0,1,0,0|0,1,0]=3 259 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 DY114862 [0,0,0,0,2,0|1,0,0]=3 260 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 NO21744 [0,0,0,0,2,0|1,0,0]=3 261 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 NO10486 [0,0,0,0,2,0|2,0,0]=4 262 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 NO16261 [0,0,0,0,2,0|2,0,0]=4 263 B12R2.2 C1=CC=C(C2=CNC=C2)C=C1 DY545949 [0,0,0,0,2,0|1,0,0]=3 264 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 DY773661 [0,0,0,0,2,0|2,0,0]=4 265 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 DY763040 [0,0,0,0,2,0|2,0,0]=4 266 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 NO20795 [0,0,0,0,2,0|2,0,0]=4 267 B12R2.2 C1=CN=CC(N2C=CC=C2)=C1 DY715748 [0,0,0,0,2,0|2,0,0]=4 268 B12R2.2 C1=CN=CC(N2C=CC=C2)=C1 DY716282 [0,0,0,0,2,0|2,0,0]=4 269 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 NO21740 [0,0,0,0,0,2|0,0,0]=2 270 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 NO11227 [0,0,0,0,0,2|1,0,0]=3