0 B9R1.35 CC(=O)C1=CC=C(Br)S1 KM02339 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC1=CC(C(N)=O)=NO1 SPB04068 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.35 CC1=NC(C(N)=S)=CS1 SPB02802 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.35 O=C(O)C1=CC=C(Br)O1 AC10702 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 O=C(O)C1=CC=C(Br)S1 BTB12643 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 O=C(O)C1=CC=C(Cl)S1 KM03331 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.14 CC1=CC(C(=O)NN)=NO1 SPB01196 [0,1,0,0,0,0|2,1,0]=4 7 B10R1.14 CC1=CSC(C(=O)NN)=C1 GK01990 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.14 CC1=NC(C(=O)NN)=CS1 SPB02297 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.14 CC1=NC(\C(N)=N\O)=CS1 SPB02633 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.14 COC(=O)C1=CC=C(Br)O1 KM08612 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.31 CSC1=CC=C(C(N)=O)S1 SEW03628 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 BTB12603 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 MO00751 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.194 CC1=CSC(C(N)=O)=C1Cl GK01748 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SPB05963 [0,0,0,0,0,1|2,1,0]=4 18 B10R1.54 CC1=NC(CC(=O)O)=CS1 CD12020 [0,0,0,0,0,1|1,0,0]=2 19 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 RDP00037 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SB01732 [0,0,0,0,0,1|2,0,0]=3 21 B9R1.19 CS(=O)(=O)C1=CSC=C1 KM05823 [1,1,0,0,0,0|1,0,1]=4 22 B9R1.41 O=C(O)C1=C(Br)C=CS1 SEW01838 [1,1,0,0,0,0|2,0,0]=4 23 B9R1.41 O=C(O)C1=C(Cl)C=CS1 GK01306 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [0,1,0,0,0,1|1,0,0]=3 25 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [0,1,0,0,0,1|1,0,0]=3 26 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BTB13819 [0,1,0,0,0,1|1,0,0]=3 27 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 BTB10192 [0,1,0,0,0,1|2,0,0]=4 28 B11R1.22 CC1=NC=C(\C(C)=N\O)C=C1 BTB07185 [0,1,0,0,0,1|2,0,0]=4 29 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 KM05492 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 CD11832 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 HTS02459 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 SB01990 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 TL01023 [0,1,0,0,0,1|1,0,0]=3 34 B11R1.645 NC(=O)CC1=C(Br)SC(Br)=C1 SPB02305 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.23 CC1=CC=CC(\C(N)=N\O)=C1 SPB07589 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.23 CC1=CN=CC(C(=O)NN)=C1 KM10013 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 RF04619 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.74 CC1=CC(=O)OC(C(N)=O)=C1 SEW01574 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,1,0,0,0,1|1,0,0]=3 40 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 CD11016 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 SB00661 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CD10965 [0,1,0,0,0,1|1,0,0]=3 44 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 BTB11559 [0,1,0,0,0,1|1,0,0]=3 45 B11R1.167 CC1=CC(C(N)=O)=C(I)C=C1 RJC00413 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 BTB11561 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O SPB06836 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.266 COC1=NC=CC(C(N)=O)=C1 SPB06368 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.15 CCOC(=O)C1=CC(C)=NN1 SPB01217 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.15 CCOC(=O)C1=CSC(C)=N1 SPB02288 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.15 CCOC(=O)C1=CSC(N)=N1 RH01231 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.15 CCOC(=O)C1=NOC(C)=C1 SPB01195 [0,2,0,0,0,0|1,1,0]=4 53 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SP00004 [0,2,0,0,0,0|1,0,0]=3 54 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 GK01297 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 GK01294 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 SB01297 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.50 CSC1=NC(C(N)=O)=C(N)S1 BTB14032 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.175 CC(=O)C1=CC([N+](=O)[O-])=CS1 NRB03624 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.175 CC(=O)C1=CSC([N+](=O)[O-])=C1 SEW03166 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.175 O=C(O)C1=CSC([N+](=O)[O-])=C1 DFP00046 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C CC08601 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.49 CCN1N=C(C)C=C1C(=O)O SPB01840 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O CC14701 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.64 COC1=C(Br)SC=C1C(=O)O KM00596 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.64 COC1=C(Cl)SC=C1C(=O)O KM00452 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [0,0,0,0,0,2|1,0,0]=3 67 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [0,0,0,0,0,2|2,0,0]=4 68 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [0,0,0,0,0,2|2,0,0]=4 69 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [0,0,0,0,0,2|2,0,0]=4 70 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BTB14052 [0,0,0,0,0,2|2,0,0]=4