0 B11R1.166 CC(=O)C1=CN=C(N)N=C1C CD10099 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 SB01990 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.166 CC1=CC=C(C(N)=S)C(O)=N1 FM00043 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.166 CC1=CC=C([N+](=O)[O-])C(N)=N1 BTB13479 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SPB05963 [1,0,0,0,0,0|2,1,0]=4 5 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CD07981 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SEW05679 [1,0,0,0,0,0|2,1,0]=4 8 B10R1.25 COC1=CC=C(Br)C=C1Br DP01258 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 RDP00161 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.61 O=C(O)C1=CC=CC=C1I BTB05694 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.61 O=C(O)C1=CC=CN=C1S SB00659 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.126 CC1=CC(I)=C(S(N)(=O)=O)C=C1 NRB00658 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl BTB15028 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O JFD03914 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.1000 CC(=O)C1=C(O)C=C(C)OC1=O RJC00983 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.1000 CC1=C(C(=O)O)C(O)=NC(O)=C1 RF00769 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.1000 CC1=CC(=O)OC(C)=C1C(=O)O KM09734 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(O)=N1 RF00089 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.1000 CC1=CC(C)=C([N+](=O)[O-])C(C)=N1 XBX00240 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.1000 CC1=CC(C)=C([N+](=O)[O-])C(N)=N1 TL00650 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.1703 C\C(=N/O)C1=CC=C(Cl)C=C1Cl KM06478 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl BTB08025 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 RJC01116 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,0,0,0,1,0|3,0,0]=4 25 B10R1.194 CC1=CSC(C(N)=O)=C1Cl GK01748 [0,0,0,0,1,0|3,0,0]=4 26 B12R1.233 CC(=O)NC1=C(Br)C=C(F)C=C1 BTB04571 [0,0,0,0,0,1|2,0,0]=3 27 B12R1.233 CC(=O)NC1=C(C)C=C(I)C=C1 RDP00225 [0,0,0,0,0,1|1,0,0]=2 28 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 TL00885 [0,0,0,0,0,1|2,0,0]=3 29 B12R1.233 CC(=O)NC1=C(Cl)C=C(Cl)C=C1 TL00914 [0,0,0,0,0,1|2,0,0]=3 30 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 BTB03441 [0,0,0,0,0,1|2,0,0]=3 31 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1F BTB07539 [0,0,0,0,0,1|2,0,0]=3 32 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C KM08882 [0,0,0,0,0,1|0,0,0]=1 33 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C TL00898 [0,0,0,0,0,1|1,0,0]=2 34 B12R1.233 CC(=O)NC1=CC=C(F)C=C1Cl BTB05770 [0,0,0,0,0,1|2,0,0]=3 35 B12R1.233 CC1=CC(C)=C(NC(N)=S)C=C1 BTB04770 [0,0,0,0,0,1|1,1,0]=3 36 B12R1.233 CC1=CC(Cl)=CC=C1NC(N)=O JA00161 [0,0,0,0,0,1|2,0,0]=3 37 B12R1.233 NC(=O)CC1=C(Cl)C=C(F)C=C1 TL01011 [0,0,0,0,0,1|3,0,0]=4 38 B12R1.233 NC(=O)NC1=C(F)C=C(F)C=C1 KM10031 [0,0,0,0,0,1|3,0,0]=4 39 B9R1.1 CSC1=CC=C(Br)C=C1 BTB04532 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BTB13819 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 BTB10192 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 KM00234 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 KM00170 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.21 CC1=C(Cl)C=C(C(=N)N)C=C1 RJF01058 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 SPB07361 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.22 CC1=NC=C(\C(C)=N\O)C=C1 BTB07185 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 HTS13706 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 KM05492 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.22 CSC(=N)C1=CC=C(Cl)C=C1 DP01090 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 BTB04111 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BTB04099 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 CD11832 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 HTS02459 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.53 CSC1=NC=CC=C1C(=O)O BTB06287 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.53 CSC1=NC=CC=C1C(N)=O BTB06434 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.156 O=C(O)C1=C(F)C=CC=C1F SB01105 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.156 O=C(O)C1=C(I)C=CC=C1F TL00162 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CD10965 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.167 CC1=C([N+](=O)[O-])C=C(I)C=C1 SEW05708 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 BTB11559 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.167 CC1=CC(C(N)=O)=C(I)C=C1 RJC00413 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] BTB09868 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 RJC00415 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 BTB11561 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 NRB00705 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.222 C\C(=N/O)C1=C(Cl)C=CC=C1 KM09168 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.222 NNC(=O)C1=CC=CC=C1Br RDP00172 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.222 NNC(=O)C1=CC=CC=C1O SEW04563 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SP00004 [0,1,0,0,1,0|1,0,0]=3 73 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C CC08601 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 GK01297 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 GK01294 [0,1,0,0,1,0|2,0,0]=4 76 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 SB01297 [0,1,0,0,1,0|2,0,0]=4 77 B13R1.51 CC(=O)NC1=CC=C(N)C=C1C#N BTB00738 [0,1,0,0,0,1|1,0,1]=4 78 B13R1.51 CCC1=C(NC(C)=O)C=CC(Br)=C1 TL00568 [0,1,0,0,0,1|1,0,0]=3 79 B13R1.163 CC(=O)N(C)C1=C(Cl)C=C(Cl)C=C1 TL00916 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.163 CC(=O)N(C)C1=CC=C(F)C=C1F TL00933 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.876 CC1=CC(C)=C(NC(N)=O)C=C1C PHG00002 [0,1,0,0,0,1|1,0,0]=3 82 B13R1.2679 COC(=S)NC1=C(C)C=C(Cl)C=C1 CD03990 [0,1,0,0,0,1|1,1,0]=4 83 B13R1.2808 CC(=O)NC1=C(C)C=C(Cl)C=C1Cl TL00876 [0,1,0,0,0,1|1,0,0]=3 84 B13R1.2808 CC(=O)NC1=C(F)C=C(Br)C=C1F CD04908 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.2808 CC1=CC(C)=C(NC(N)=O)C(C)=C1 PHG00001 [0,1,0,0,0,1|1,0,0]=3 86 B13R1.2808 CC1=CC(C)=C(NC(N)=S)C(C)=C1 S03098 [0,1,0,0,0,1|1,1,0]=4 87 B13R1.2808 CC1=CC(O)=C(CN(C)C)C(C)=C1 BTB10412 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.3528 CC(=O)NC1=C(F)C(F)=C(F)C=C1 RH00323 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.315 COC1=C(C(=O)O)C(C)=CC(C)=N1 RH02223 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.315 COC1=C(C(N)=O)C(C)=CC(C)=N1 RH02222 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.2809 CC1=CC(C)=C(S(=O)(=O)O)C(C)=C1 KM05697 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.2809 CC1=CC(C)=C(S(=O)(=O)O)C(C)=C1 KM06877 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.4183 CNS(=O)(=O)C1=C(I)C=C(C)C=C1 NRB00659 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.651 CC(=O)C1=C(C)N=C(O)C(C#N)=C1 BTB09128 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.651 CC(=O)C1=CC(C#N)=C(C)N=C1C AW00736 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.120 CC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl MWP00070 [0,2,0,0,0,0|2,0,0]=4 97 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [1,0,0,1,0,0|2,0,0]=4 98 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 SB00764 [0,0,0,1,0,1|0,0,2]=4 99 B13R2.11642 CC1=CC(C)=C2C(=O)NSC2=N1 HTS12963 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.35 CC(=O)C1=CC=C(Br)S1 KM02339 [1,0,0,0,1,0|2,0,0]=4 101 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [1,0,0,0,0,1|1,0,0]=3 102 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [1,0,0,0,0,1|1,0,0]=3 103 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [1,0,0,0,0,1|1,0,0]=3 104 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [1,0,0,0,0,1|1,0,0]=3 105 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 DP01389 [1,0,0,0,0,1|1,1,0]=4 106 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [1,0,0,0,0,1|1,0,0]=3 107 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 S04036 [1,0,0,0,0,1|2,0,0]=4 108 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [1,0,0,0,0,1|2,0,0]=4 109 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [1,0,0,0,0,1|2,0,0]=4 110 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 NRB00708 [1,0,0,0,0,1|1,0,0]=3 111 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 SPB06387 [1,0,0,0,0,1|1,0,0]=3 112 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 NRB00707 [1,0,0,0,0,1|1,0,0]=3 113 B11R1.86 CC1=CC=CC=C1NC(N)=S SPB06632 [1,0,0,0,0,1|1,1,0]=4 114 B11R1.86 O=C(O)CC1=CC=CC=C1I NRB00709 [1,0,0,0,0,1|2,0,0]=4 115 B11R1.74 CC1=CC(=O)OC(C(N)=O)=C1 SEW01574 [0,0,0,0,1,1|2,0,0]=4 116 B13R1.164 CC(=O)COC1=C(Cl)C=C(Cl)C=C1 BTB03082 [0,0,0,0,0,2|2,0,0]=4