0 B11R1.266 COC1=NC=CC(C(N)=O)=C1 SPB06368 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 RDP00037 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SB01732 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.11 CSC1=NC(C(=O)O)=CC(O)=N1 RF03525 [0,1,0,0,0,0|2,1,0]=4 4 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=N1 SB01598 [0,1,0,0,0,0|3,0,0]=4 5 B12R1.258 O=C(O)C1=CN=CC(C(=O)O)=C1 BTB09654 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.435 COC1=CC(C(=O)NN)=CC=C1 BTB06864 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 JFD00869 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.453 COC1=CC([N+](=O)[O-])=C(N)C=C1 BTB07533 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.453 CSC1=NC=C(Br)C(C(=O)O)=N1 RH00785 [0,1,0,0,0,0|2,1,0]=4 10 B12R1.453 CSC1=NC=C(Cl)C(C(=O)O)=N1 BTB10252 [0,1,0,0,0,0|2,1,0]=4 11 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,0,0,0,1,0|1,1,0]=3 12 B10R1.31 CSC1=CC=C(C(N)=O)S1 SEW03628 [0,0,0,0,1,0|2,1,0]=4 13 B10R1.39 COC1=CSC=C1C(=O)O KM00448 [0,0,0,0,1,0|1,0,0]=2 14 B10R1.39 COC1=CSC=C1C(N)=O KM01620 [0,0,0,0,1,0|2,0,0]=3 15 B12R1.438 C#CC1=CC=CC(NC(C)=O)=C1 RF01853 [0,0,0,0,0,1|2,0,1]=4 16 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 JA00160 [0,0,0,0,0,1|1,0,0]=2 17 B12R1.438 COC1=CC(NC(N)=S)=CC=C1 RB00291 [0,0,0,0,0,1|1,1,0]=3 18 B12R1.438 COC1=CC=CC(CC(N)=O)=C1 BTB09254 [0,0,0,0,0,1|1,0,0]=2 19 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 MB00202 [0,0,0,0,0,1|1,0,0]=2 20 B12R1.438 CSC1=CC=CC(NC(N)=O)=C1 S04034 [0,0,0,0,0,1|1,1,0]=3 21 B11R1.23 CC1=CC=CC(\C(N)=N\O)=C1 SPB07589 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.23 CC1=CN=CC(C(=O)NN)=C1 KM10013 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 RF04619 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.23 C\C(=N/O)C1=CC(Br)=CC=C1 KM09160 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.74 CC1=CC(=O)OC(C(N)=O)=C1 SEW01574 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 CD11016 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CD10965 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 BTB11559 [1,1,0,0,0,0|0,0,0]=2 31 B11R1.167 CC1=CC(C(N)=O)=C(I)C=C1 RJC00413 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 RJC00415 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 BTB11561 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O SPB06836 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.59 COC(=O)C1=C(OC)C=CS1 GK02497 [0,1,0,0,1,0|1,0,0]=3 36 B11R1.59 COC(=O)C1=CSC=C1OC KM00444 [0,1,0,0,1,0|1,0,0]=3 37 B11R1.59 COC1=CSC=C1C(=O)NN KM04436 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.64 COC1=C(Br)SC=C1C(=O)O KM00596 [0,1,0,0,1,0|1,0,0]=3 39 B11R1.64 COC1=C(Cl)SC=C1C(=O)O KM00452 [0,1,0,0,1,0|1,0,0]=3 40 B11R1.193 CCOC1=C(C(=O)O)SC=C1 GK02486 [0,1,0,0,1,0|1,0,0]=3 41 B13R1.81 COC1=CC=CC(CC(=O)NN)=C1 BTB09260 [0,1,0,0,0,1|1,0,0]=3 42 B13R1.313 COC1=CC(OC)=CC(C(=O)O)=C1 AC11546 [0,2,0,0,0,0|0,0,0]=2 43 B13R1.345 CS(=O)(=O)C1=CC=CC(C(=O)O)=C1 JFD01919 [0,2,0,0,0,0|0,1,0]=3 44 B13R1.3801 O=C(O)C1=CC=CC(C(=O)O)=C1Br NRB00681 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.3801 O=C(O)C1=CC=CC(C(=O)O)=C1F CD10414 [0,2,0,0,0,0|2,0,0]=4 46 B13R1.377 C=CCC1=CC=CC(C(=O)O)=C1O HTS11162 [0,2,0,0,0,0|1,0,1]=4 47 B13R1.460 COC1=CC=CC(C(=O)CC#N)=C1 KM08917 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.2431 CNC(=O)C1=C(Br)C=CC(OC)=C1 RJC00412 [0,2,0,0,0,0|1,0,0]=3 49 B13R1.2431 COC1=CC=C(Br)C(C(=O)NN)=C1 BTB06852 [0,2,0,0,0,0|1,0,0]=3 50 B13R2.2121 COC1=CC2=C(C=C1)NC(S)=N2 RH00387 [0,0,0,1,0,1|1,1,0]=4 51 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 BTB04799 [0,0,0,1,0,1|2,0,0]=4 52 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 BTB13426 [0,0,0,1,0,1|2,0,0]=4 53 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 KM05976 [0,1,0,1,0,0|2,0,0]=4 54 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 CC00048 [0,1,0,1,0,0|1,0,0]=3 55 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 CC05901 [0,1,0,1,0,0|0,1,1]=4 56 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CC07101 [0,1,0,1,0,0|1,0,1]=4 57 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 CC01601 [0,1,0,1,0,0|0,0,0]=2 58 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 CC09701 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 CC09201 [0,1,0,1,0,0|1,1,0]=4 60 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 RJC02385 [0,1,0,1,0,0|1,0,1]=4 61 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CC00801 [0,1,0,1,0,0|1,0,0]=3 62 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CN2 CC28701 [0,1,0,1,0,0|1,0,1]=4 63 B13R2.573 COC1=C2OCC(=O)C2=CC=C1 JFD02807 [0,1,0,1,0,0|0,0,0]=2 64 B9R1.35 O=C(O)C1=CC=C(Br)O1 AC10702 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.35 O=C(O)C1=CC=C(Br)S1 BTB12643 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.35 O=C(O)C1=CC=C(Cl)S1 KM03331 [1,0,0,0,1,0|2,0,0]=4 67 B9R1.41 O=C(O)C1=C(Br)C=CS1 SEW01838 [1,0,0,0,1,0|2,0,0]=4 68 B9R1.41 O=C(O)C1=C(Cl)C=CS1 GK01306 [1,0,0,0,1,0|2,0,0]=4 69 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 MB00204 [1,0,0,0,0,1|2,0,0]=4 70 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 RH01166 [1,0,0,0,0,1|1,1,0]=4 71 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BTB14052 [1,0,0,0,0,1|2,0,0]=4 72 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [0,0,0,0,1,1|1,0,0]=3 73 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [0,0,0,0,1,1|1,0,0]=3 74 B11R1.3 COC1=NC=C(C(N)=S)C=C1 SPB05765 [0,0,0,0,1,1|1,1,0]=4 75 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 SEW05471 [0,0,0,0,1,1|1,0,1]=4 76 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BTB13819 [0,0,0,0,1,1|2,0,0]=4 77 B13R1.643 COC1=CC=CC(\C=C\[N+](=O)[O-])=C1 S12156 [0,0,0,0,0,2|1,0,1]=4