0 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 S08130 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.266 O=[N+]([O-])C1=CC=CC(CCl)=C1 SB01266 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 AC35900 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.172 N#CC1=CC=CC(C=O)=C1 SEW02565 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.11 COC1=NC(Cl)=CC(C(=O)O)=C1 RF03693 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 MO07323 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.279 CNCC1=CC([N+](=O)[O-])=CC=C1 MO00890 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.435 COC(=O)C1=CC=CC(C#N)=C1 RJC00610 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 MO07352 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 MO07188 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 MAY00228 [0,1,0,0,0,0|0,0,1]=2 18 B12R1.435 N#CC1=CC=CC(C(=O)CBr)=C1 SPB07593 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.453 CSC1=NC=C(Br)C(C(=O)O)=N1 RH00785 [0,1,0,0,0,0|2,1,0]=4 20 B12R1.453 CSC1=NC=C(Cl)C(C(=O)O)=N1 BTB10252 [0,1,0,0,0,0|2,1,0]=4 21 B12R1.453 O=CC1=CC=C(F)C(C(=O)O)=C1 MO07878 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,0,0,0,1,0|1,1,0]=3 23 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [0,0,0,0,1,0|1,0,0]=2 24 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [2,0,0,0,0,0|0,1,1]=4 25 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.21 CC1=CC=C(B(O)O)C=C1C AC35928 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 MAY00104 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 RF03759 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 SEW04141 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 MO07975 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.159 O=C(O)C1=CC=NC(F)=C1F NP44677 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 MAY00214 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.189 COC1=CC=CC(N=C=S)=C1 TL00330 [1,1,0,0,0,0|0,1,1]=4 51 B11R1.59 COC(=O)C1=CSC=C1OC KM00444 [0,1,0,0,1,0|1,0,0]=3 52 B11R1.64 COC1=C(Br)SC=C1C(=O)O KM00596 [0,1,0,0,1,0|1,0,0]=3 53 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 MAY00208 [0,1,0,0,0,1|0,0,0]=2 54 B13R1.13 CC(=O)C1=CC=C(O)C(C(N)=O)=C1 SB01472 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.543 N\C(=N/O)C1=CC=CC(C(=O)O)=C1 MO07614 [0,2,0,0,0,0|2,0,0]=4 56 B13R1.2431 COC1=CC=C(Br)C(C(=O)NN)=C1 BTB06852 [0,2,0,0,0,0|1,0,0]=3 57 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 KM05976 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CC07101 [0,1,0,1,0,0|1,0,1]=4 59 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 CC24801 [0,1,0,1,0,0|1,0,1]=4 60 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 CC09701 [0,1,0,1,0,0|1,0,0]=3 61 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 CC09201 [0,1,0,1,0,0|1,1,0]=4 62 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CC00801 [0,1,0,1,0,0|1,0,0]=3 63 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 BTB12826 [0,1,0,1,0,0|1,0,1]=4 64 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 CC01701 [0,1,0,1,0,0|0,0,0]=2 65 B13R2.5569 O=C(O)C1=CC=CC2=C1C=NN2 NP43009 [0,1,0,1,0,0|1,0,1]=4 66 B13R2.5569 O=C(O)C1=CC=CC2=C1OC=C2 CC78201 [0,1,0,1,0,0|1,0,1]=4 67 B13R2.5569 O=C(O)C1=CC=CC2=C1OCC2 CC00901 [0,1,0,1,0,0|1,0,0]=3 68 B13R2.5569 O=C(O)C1=CC=CC2=C1SC=C2 CC29401 [0,1,0,1,0,0|1,0,1]=4 69 B13R2.5569 O=C(O)C1=CC=CC2=NSN=C12 CC09101 [0,1,0,1,0,0|1,1,0]=4 70 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [1,0,0,0,1,0|2,0,0]=4 71 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [1,0,0,0,1,0|2,0,0]=4 72 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [1,0,0,0,1,0|1,0,0]=3 73 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [1,0,0,0,1,0|2,0,0]=4 74 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [1,0,0,0,1,0|2,0,0]=4 75 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [1,0,0,0,1,0|2,0,0]=4 76 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [1,0,0,0,1,0|2,0,0]=4 77 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [1,0,0,0,1,0|2,0,0]=4 78 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [1,0,0,0,1,0|2,0,0]=4 79 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [1,0,0,0,1,0|2,0,0]=4 80 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [1,0,0,0,1,0|2,0,0]=4 81 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [1,0,0,0,1,0|2,0,0]=4 82 B9R1.41 CN1C=NC=C1C(=O)O CC23601 [1,0,0,0,1,0|2,0,0]=4 83 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [1,0,0,0,1,0|2,0,0]=4 84 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [1,0,0,0,1,0|2,0,0]=4 85 B9R1.14 COC1=C(C=O)SC=C1 CC68604 [1,0,0,0,1,0|1,0,0]=3 86 B9R1.21 CSC1=CC=C(C=O)S1 SEW03493 [1,0,0,0,1,0|1,1,0]=4 87 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [0,0,0,0,1,1|2,0,0]=4