0 B10R1.59 CC1=NC(C)=C(S1)C(O)=O AC180522 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.59 CN1N=C(C)C=C1C(O)=O AC180804 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.22 CC1=CC(C)=C(N1)C=O AC511604 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.22 CC1=NC(C)=C(N1)C=O AC020332 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.35 C1=C(C(=O)O)SC(=C1)Br LN00009121 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 CC(=O)C1=CC=C(C)S1 AC180308 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.35 CC1=CC=C(O1)C(O)=O AC180680 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.35 CC1=CC=C(S1)C(O)=O AC511071 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 CC1=NC=C(C(=O)O)O1 LN00214770 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.35 CC1=NC=C(S1)C(O)=O AC181314 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.35 CC1=NN=C(C(=O)O)S1 LN01372544 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.35 CC1=NN=C(O1)C([O-])=O AC050697 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.35 CC1=NNC(=C1)C(O)=O AC190259 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CN1C=C(C=N1)C(C)=O AC511894 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 ClC(=O)C1=CC=C(Cl)S1 AC180470 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 NC1=NC=C(S1)C(O)=O AC181939 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 OC(=O)C1=CC=C(Br)S1 AC020591 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 OC(=O)C1=CC=C(Cl)S1 AC021211 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 OC(=O)C1=CN=C(Br)S1 AC511727 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.35 [O-][N+](=O)C1=CN=C(Br)S1 AC180096 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.41 CC(=O)C1=CNC=C1C AC330027 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.41 CC1=C(C(=O)O)NC=C1 LN01237182 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.41 CC1=C(OC=N1)C(O)=O AC511624 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.41 CC1=C(SN=N1)C(O)=O AC030025 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.41 CC1=NNC=C1C(O)=O AC181056 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.41 CC1=NOC=C1C(O)=O AC181215 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.41 CN1C=CN=C1C(C)=O AC511919 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.41 CN1N=CC=C1C(O)=O AC181029 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.41 NC(=O)C1=C(N)N=CN1 AC510939 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.41 OC(=O)C1=C(F)C=CS1 AC181662 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 AC050646 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AC310106 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.74 CC1=CC(=CC(Cl)=N1)C(O)=O AC180520 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.166 CC1=CC=C(C(O)=O)C(Cl)=N1 AC020050 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)C LN00181449 [0,0,0,0,0,1|2,0,0]=3 35 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)Cl LN00131032 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.1 BrC1=NC=C(S1)C=O AC510784 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.1 C1=C(C=O)SC(=C1)Br LN00009990 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.1 CC1=CC=C(S1)C=O AC511283 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.1 CC1=CN=C(S1)C=O AC182206 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.1 CC1=NC(=CO1)C=O LN00169165 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.1 CC1=NC(C=O)=CS1 AC181975 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.1 CN1C=C(C=O)C=N1 AC511623 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.1 ClC1=CC=C(S1)C=O AC180483 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.1 ClC1=NC=C(S1)C=O AC100127 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.11 C1=CSC(=C1Br)C=O LN00146488 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.11 CC1=NNC=C1C=O AC511463 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.11 CN1N=CC=C1C=O AC510711 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.18 CC1=C(Br)N=C(N)S1 AC050997 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.18 CC1=C(C)N=C(N)S1 AC180280 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.18 CC1=C(C)N=C(N)S1 AC360032 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.7 CC(=O)C1=NC=CS1 AC510705 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.7 OC(=O)C1=CN=CO1 AC500181 [2,0,0,0,0,0|1,1,0]=4 55 B8R1.7 OC(=O)C1=CN=CS1 AC181678 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.7 [O-]C(=O)C1=CC=CS1 AC030126 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.14 CC1=NC(=CO1)C(=O)OC LN00189944 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.14 COC(=O)C1=CC=C(Br)S1 AC020592 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.14 COC(=O)C1=CC=C(Cl)S1 AC020444 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.14 COC(=O)C1=CC=C(N)S1 AC511981 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.14 COC(=O)C1=CN=C(Br)S1 AC181710 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.14 COC(=O)C1=COC(C)=N1 AC181604 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.14 COC(=O)C1=NC=C(C)S1 AC512066 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.149 CC1=C(C(=O)OC)SC=C1 LN00225784 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.149 COC(=O)C1=C(Br)C=CS1 AC180822 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.149 COC(=O)C1=C(C)C=CO1 AC130320 [1,1,0,0,0,0|1,1,0]=4 67 B10R1.149 COC(=O)C1=C(C)C=CS1 AC180945 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.149 COC(=O)C1=C(C)N=CS1 AC180735 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.149 COC(=O)C1=C(N)N=CS1 AC040080 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.149 COC(=O)C1=C(O)C=CS1 AC020953 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.358 COC(=O)C1=CC(C)=NC(Cl)=C1 AC181763 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.358 COC(=O)C1=CC(O)=NC(C)=N1 AC200031 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.232 CC1=NC(C)=C(Cl)N=C1C(N)=O AC021529 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 AC180254 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)S1 AC500265 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 AC180710 [0,2,0,0,0,0|1,0,0]=3 77 B10R2.32 O=C1CCC2=C1SC=C2 AC181664 [1,0,0,1,0,0|1,0,0]=3 78 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 AC220151 [0,0,0,1,0,1|2,0,0]=4 79 B12R2.132 CC1=CC2=C(C=C1)CCC2=O LN00220913 [0,0,0,1,0,1|2,0,0]=4 80 B12R2.202 C1CC2=C(C(=O)C1)SC(=N2)Br LN00286037 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.8 CC1=CC(=CC(=C1)C=O)C LN00010194 [1,0,0,0,0,1|2,0,0]=4 82 B10R1.8 CC1=CC(C)=CC(C=O)=C1 AC180654 [1,0,0,0,0,1|2,0,0]=4 83 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [1,0,0,0,0,1|2,0,0]=4 84 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [1,0,0,0,0,1|2,0,0]=4 85 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [1,0,0,0,0,1|2,0,0]=4 86 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [1,0,0,0,0,1|2,0,0]=4 87 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [1,0,0,0,0,1|2,0,0]=4 88 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [1,0,0,0,0,1|2,0,0]=4 89 B10R1.13 CC1=NC=C(C=N1)C(=O)O LN00156992 [1,0,0,0,0,1|2,0,0]=4