0 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,1,0,0,0,0|2,0,0]=3 1 B11R1.74 CC1=NC(N)=NC(N(C)C)=N1 RF02693 [0,1,0,0,0,0|3,0,0]=4 2 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [0,1,0,0,0,0|3,0,0]=4 3 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CD10965 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 BTB11559 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.167 CC1=CC(C(N)=O)=C(I)C=C1 RJC00413 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.266 COC1=NC=CC(C(N)=O)=C1 SPB06368 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.35 CC(=O)C1=CC=C(Br)S1 KM02339 [0,0,0,0,1,0|2,0,0]=3 8 B9R1.35 CC1=NC(C(N)=S)=CS1 SPB02802 [0,0,0,0,1,0|2,1,0]=4 9 B9R1.35 O=C(O)C1=CC=C(Br)O1 AC10702 [0,0,0,0,1,0|3,0,0]=4 10 B9R1.35 O=C(O)C1=CC=C(Br)S1 BTB12643 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.35 O=C(O)C1=CC=C(Cl)S1 KM03331 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 MB00204 [0,0,0,0,0,1|3,0,0]=4 13 B10R1.8 CCC1=CC(O)=NC(S)=N1 RJF01407 [1,1,0,0,0,0|1,0,1]=4 14 B10R1.8 CSC1=NC(C)=NC(N)=N1 RF02687 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.14 CC1=NC(C(=O)NN)=CS1 SPB02297 [0,1,0,0,1,0|2,0,0]=4 16 B10R1.14 COC(=O)C1=CC=C(Br)O1 KM08612 [0,1,0,0,1,0|2,0,0]=4 17 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [0,1,0,0,1,0|1,0,1]=4 18 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,1,0|2,0,0]=4 19 B10R1.31 CSC1=CC=C(C(N)=O)S1 SEW03628 [0,1,0,0,1,0|2,0,0]=4 20 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,1,0,0,1,0|2,0,0]=4 21 B10R1.149 COC(=O)C1=C(N)SC=C1 GK02784 [0,1,0,0,1,0|2,0,0]=4 22 B12R1.19 CC(=O)NC1=CC(C)=C(C)C=C1 BTB05228 [0,1,0,0,0,1|2,0,0]=4 23 B12R1.19 CC(=O)NC1=CC=C(Br)C(C)=C1 KM10161 [0,1,0,0,0,1|2,0,0]=4 24 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 BTB13280 [0,1,0,0,0,1|2,0,0]=4 25 B12R1.101 CC(=O)NC1=NC(C)=CC(O)=N1 RDR01727 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 RJC01302 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 JFD03467 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 MB00202 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.48 CC(=O)C1=NC(S)=C(C#N)C=C1 SPB05369 [0,2,0,0,0,0|2,0,0]=4 30 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 KM01815 [0,2,0,0,0,0|2,0,0]=4 31 B12R1.354 CNC(=O)C1=C(I)C=CC(C)=C1 RJC00414 [0,2,0,0,0,0|2,0,0]=4 32 B12R1.358 COC(=O)C1=CC(=O)N=C(N)S1 RF02299 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.358 COC(=O)C1=NC(O)=NC(C)=C1 SPB06320 [0,2,0,0,0,0|1,0,0]=3 34 B12R1.11 CSC1=NC(C(=O)O)=CC(O)=N1 RF03525 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.11 CSC1=NC(C(N)=O)=CC(O)=N1 RF03533 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 JFD00869 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.453 CSC1=NC=C(Br)C(C(=O)O)=N1 RH00785 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.453 CSC1=NC=C(Cl)C(C(=O)O)=N1 BTB10252 [0,2,0,0,0,0|1,0,0]=3