0 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 CDS002700 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 CDS006231 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 T310360 [0,1,0,0,0,0|2,0,0]=3 3 B13R2.2334 CN1C(=CC2=C1C=CO2)C(=O)O CDS010141 [0,1,0,0,0,0|1,1,0]=3 4 B13R2.2334 CN1C(=CC2=C1C=CS2)C(=O)O CDS014613 [0,1,0,0,0,0|1,0,0]=2 5 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Br CDS023239 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.35 N1C=NC(=C1)CC(=O)C(=O)O S785539 [0,0,1,0,0,0|3,0,0]=4 7 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O CDS005165 [0,0,1,0,0,0|2,0,1]=4 8 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O T326682 [0,0,1,0,0,0|2,0,0]=3 9 B11R1.90 CC1=C(SC=N1)CCC(=O)O CBR00359 [0,0,1,0,0,0|1,0,2]=4 10 B11R1.90 CN1N=CC=C1/C=C/C(=O)O CDS022768 [0,0,1,0,0,0|3,0,0]=4 11 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CDS021633 [0,0,0,0,0,1|2,1,0]=4 12 B13R2.430 O=C(O)C1=CC2=C(C=CN2)N=C1 ADE000955 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 CDS017300 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CDS018249 [0,0,0,0,0,1|2,0,0]=3 15 B13R2.430 O=C(O)C1=CC=C2N=NNC2=C1 CDS011338 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 CDS010065 [0,0,0,0,0,1|1,1,0]=3 17 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 CDS006646 [0,0,0,0,0,1|1,0,0]=2 18 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 CDS005773 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 ADE001144 [0,0,0,0,0,1|1,1,1]=4 20 B13R2.430 O=C(O)C1=CN=C2C=CSC2=C1 CDS024230 [0,0,0,0,0,1|1,0,1]=3 21 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 ADE000888 [0,0,0,0,0,1|1,0,2]=4 22 B13R2.430 OB(O)C1=CC=C2N=CSC2=C1 CDS019261 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.435 O=C(O)C1=CC2=C(N1)CCCC2 CDS002436 [0,0,0,0,0,1|2,0,1]=4 24 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [0,0,0,0,0,1|1,0,0]=2 25 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 CDS017542 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 CBR00103 [0,0,0,0,0,1|2,0,1]=4 27 B10R1.66 O=C(O)/C=C/C1=NC=CS1 CDS022230 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.31 N#CC1=CNC(=C1)C(=O)O CDS006896 [1,0,1,0,0,0|0,0,2]=4 29 B10R1.31 O=CC1=CC=C(N1)C(=O)O CDS004821 [1,0,1,0,0,0|0,1,0]=3 30 B10R1.31 O=CC1=CC=C(O1)C(=O)O CDS000126 [1,0,1,0,0,0|1,1,0]=4 31 B12R1.298 N#C/C(=C/C1=CC=CS1)/C(=O)O R786578 [0,1,1,0,0,0|1,0,1]=4 32 B14R2.601 CC1=NC2=C(N1)C=CC(=C2)C(=O)O PH005188 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O CDS009436 [0,1,0,0,0,1|1,1,0]=4 34 B14R2.601 CC1=NC2=CC=C(C=C2S1)C(=O)O CDS014069 [0,1,0,0,0,1|1,0,0]=3 35 B14R2.601 NC(=O)C1=CC=C2N=C(SC2=C1)N PH009960 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.601 NC1=NC2=C(S1)C=C(C=C2)C(=O)O L481106 [0,1,0,0,0,1|1,0,0]=3 37 B14R2.601 O=C(O)C1=CC=C2N=C(NC2=C1)S CDS016500 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.601 O=C(O)C1=CC=C2NC(=NC2=C1)S CDS000151 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.5719 CN1C=NC2=CC(=CN=C12)C(=O)O ADE001218 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CDS002324 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.450 NC1=C(SC2=NC=CC=C12)C(=O)O CDS005324 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 SYX00140 [0,1,0,0,0,1|1,0,0]=3 43 B14R2.4529 NC1=CC=C2NC(=CC2=C1)C(=O)O CDS018503 [0,1,0,0,0,1|2,0,0]=4 44 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br CDS006283 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.4529 O=C(O)C1=CC2=CC(=CN=C2N1)Br ADE001120 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.4529 O=C(O)C1=CC2=CC(=CN=C2N1)F CDS023558 [0,1,0,0,0,1|1,0,0]=3 47 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl PH006850 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CDS005384 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.4529 O=C(O)C1=CC2=NC=C(C=C2N1)Cl PHB00203 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.7969 CC1=CC=CC2=C1C=C(N2)C(=O)O CDS008967 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O CDS007536 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl PH000388 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=NC=N2)Cl CDS021159 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.7969 O=C(O)C1=CC2=C(S1)N=CN=C2Cl CDS021345 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Cl CDS002296 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.10815 COC(=O)C1=CC2=C(N1)C=C(O2)C T310514 [0,2,0,0,0,0|1,1,0]=4 57 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=C2 PH011284 [0,2,0,0,0,0|2,0,0]=4 58 B14R2.10637 COC(=O)C1=CC2=C(N1)C=CN2C PH015910 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,0,1,0,0,1|2,0,0]=4 60 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,0,1,0,0,1|2,0,0]=4 61 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 PH006820 [0,0,0,0,0,2|2,0,0]=4 62 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CDS008227 [0,0,0,0,0,2|2,0,0]=4 63 B14R2.781 O=C(O)C1=CN=C2C=CC=NC2=C1 ADE000868 [0,0,0,0,0,2|2,0,0]=4 64 B14R2.1008 CC(=O)NC1=CC=C2SC=NC2=C1 T316474 [0,0,0,0,0,2|2,0,0]=4 65 B14R2.1008 O=C(O)CC1=CC=C2OC=NC2=C1 CDS011125 [0,0,0,0,0,2|1,1,0]=4 66 B14R2.768 O=C(O)CC1=CC2=C(N1)C=CC=C2 CDS021628 [0,0,0,0,0,2|2,0,0]=4