0 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 AC-93768 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 AC-57748 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 AC-19860 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 O=C(O)C1=CC2=C(N=CS2)N1 AC-82802 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.252 OB(O)C1=CC2=C(C=CS2)S1 AC-88039 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 AC-83713 [0,1,0,0,0,0|1,1,0]=3 6 B13R2.2334 CC1=C(C(=O)O)SC2=NC=CN21 AC-91871 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 AC-33497 [0,1,0,0,0,0|1,0,0]=2 8 B13R2.430 CC(=O)C1=CC=C2N=CSC2=C1 AC-24157 [0,0,0,0,0,1|2,0,0]=3 9 B13R2.430 CC(=O)C1=CC=C2SC=NC2=C1 AC-79873 [0,0,0,0,0,1|2,0,0]=3 10 B13R2.430 CC(=O)C1=CN=C2SC=CC2=C1 AC-94788 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.430 CC(O)C1=CC=C2SC=NC2=C1 AC-88075 [0,0,0,0,0,1|2,0,1]=4 12 B13R2.430 NC(=O)C1=CC=C2SC=NC2=C1 AC-80651 [0,0,0,0,0,1|2,0,0]=3 13 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 AC-10160 [0,0,0,0,0,1|2,0,1]=4 14 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 AC-10161 [0,0,0,0,0,1|2,0,1]=4 15 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=N1 AC-75941 [0,0,0,0,0,1|2,0,1]=4 16 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=C2 AC-75934 [0,0,0,0,0,1|1,0,2]=4 17 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 AC-79373 [0,0,0,0,0,1|2,0,1]=4 18 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 AC-69656 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CC2=NNN=C2C=C1 AC-77148 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 AC-45065 [0,0,0,0,0,1|1,1,0]=3 21 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 AC-69794 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.430 O=C(O)C1=CC=C2NN=NC2=C1 AC-14489 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 AC-34298 [0,0,0,0,0,1|2,1,0]=4 24 B13R2.430 O=C(O)C1=CC=C2SC=CC2=C1 AC-33282 [0,0,0,0,0,1|2,0,0]=3 25 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 AC-92569 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 AC-69860 [0,0,0,0,0,1|2,0,1]=4 27 B13R2.430 O=C(O)C1=CN=C2C=CSC2=C1 AC-96653 [0,0,0,0,0,1|1,0,1]=3 28 B13R2.430 O=[N+]([O-])C1=CC=C2N=CSC2=C1 AC-23857 [0,0,0,0,0,1|2,0,1]=4 29 B13R2.430 OB(O)C1=CC=C2N=CSC2=C1 AC-91676 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 AC-42026 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.435 NC(=O)C1=CC2=CC=CN=C2N1 AC-75928 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 AC-10156 [0,0,0,0,0,1|2,0,0]=3 33 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 AC-75931 [0,0,0,0,0,1|1,0,0]=2 34 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 AC-89762 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 AC-24717 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 AC-16567 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 AC-43631 [0,0,0,0,0,1|1,0,0]=2 38 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 AC-73357 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 AC-71385 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 AC-29821 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 AC-86631 [0,0,0,0,0,1|3,0,0]=4 42 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 AC-39290 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.66 O=C(O)\C=C\C1=CC=CO1 AC-12600 [1,0,1,0,0,0|1,1,0]=4 44 B10R1.66 O=C(O)\C=C\C1=CC=CS1 AC-12620 [1,0,1,0,0,0|1,0,0]=3 45 B10R1.66 O=C(O)\C=C\C1=CNC=N1 AC-59026 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.66 O=C(O)\C=C\C1=CSC=C1 AC-75553 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.31 C#CC1=CNC(C(=O)O)=C1 AC-94329 [1,0,1,0,0,0|1,0,1]=4 48 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 AC-85286 [1,0,1,0,0,0|2,0,0]=4 49 B10R2.2 O=C1CC2=C(C=CS2)N1 AC-83735 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.298 N#C\C(=C/C1=CC=CS1)C(=O)O AC-17922 [0,1,1,0,0,0|1,0,1]=4 51 B14R2.601 CC(=O)C1=CC=C2N=C(C)SC2=C1 AC-90771 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.601 CC(=O)C1=CC=C2SC(C)=NC2=C1 AC-90699 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.601 CC(=O)C1=CC=C2SC(Cl)=NC2=C1 AC-88074 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2N1 AC-30679 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2O1 AC-43373 [0,1,0,0,0,1|1,1,0]=4 56 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2S1 AC-41707 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.601 CC1=NC2=NC=C(C(=O)O)C=C2N1 AC-93544 [0,1,0,0,0,1|1,0,1]=4 58 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 AC-22504 [0,1,0,0,0,1|1,0,0]=3 59 B14R2.601 O=C(O)C1=CC=C2SC(Br)=NC2=C1 AC-80478 [0,1,0,0,0,1|1,0,0]=3 60 B14R2.966 COC(=O)C1=CC2=C(C=N1)NC=N2 AC-94494 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.966 COC(=O)C1=CC=C2SC=NC2=C1 AC-81941 [0,1,0,0,0,1|1,0,0]=3 62 B14R2.966 COC(=O)C1=CN=C2N=CNC2=C1 AC-80548 [0,1,0,0,0,1|1,0,1]=4 63 B14R2.24358 CN1C=NC2=CC=C(C(=O)O)C=C21 AC-79863 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 AC-21416 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.450 NC1=C(C(=O)O)OC2=NC=CC=C21 AC-85612 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 AC-14984 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 AC-69409 [0,1,0,0,0,1|1,0,0]=3 68 B14R2.972 NNC(=O)C1=CC2=CC=CN=C2N1 AC-85630 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 AC-31073 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 AC-39599 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 AC-31077 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 AC-26862 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 AC-10119 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 AC-11259 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 AC-33793 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 AC-69449 [0,1,0,0,0,1|1,0,0]=3 77 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 AC-88573 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 AC-35435 [0,1,0,0,0,1|1,0,0]=3 79 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 AC-71213 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.7969 NC1=CC=CC2=C1NC(C(=O)O)=C2 AC-86623 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2Cl)S1 AC-93075 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.7969 O=C(O)C1=CC2=C(N1)C(F)=CC=C2 AC-50750 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 AC-81468 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 AC-35361 [0,1,0,0,0,1|1,0,0]=3 85 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)S1 AC-73214 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 AC-87031 [0,0,1,0,1,0|1,0,1]=4 87 B10R1.64 CC1=C(CC(=O)O)SC=N1 AC-81247 [0,0,1,0,1,0|1,0,1]=4 88 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 AC-29856 [1,0,0,0,0,1|2,0,0]=4 89 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 AC-75939 [1,0,0,0,0,1|2,0,0]=4 90 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 AC-75930 [1,0,0,0,0,1|1,0,0]=3 91 B12R2.32 O=CC1=CC2=C(C=NC=C2)O1 AC-87765 [1,0,0,0,0,1|2,0,0]=4 92 B12R2.32 O=CC1=CC2=CC=CN=C2N1 AC-69430 [1,0,0,0,0,1|1,0,0]=3 93 B12R2.32 O=CC1=CC2=NC=CC=C2N1 AC-75935 [1,0,0,0,0,1|2,0,0]=4 94 B12R2.32 O=CC1=CC2=NC=CN=C2S1 AC-61097 [1,0,0,0,0,1|2,0,0]=4 95 B12R2.32 OCC1=CC2=C(C=NC=C2)N1 AC-75400 [1,0,0,0,0,1|1,0,1]=4 96 B12R2.44 O=CC1=CC=C2N=COC2=C1 AC-81149 [1,0,0,0,0,1|1,1,0]=4 97 B12R2.44 O=CC1=CC=C2N=CSC2=C1 AC-83964 [1,0,0,0,0,1|1,0,0]=3 98 B12R2.44 O=CC1=CC=C2OC=NC2=C1 AC-80431 [1,0,0,0,0,1|1,1,0]=4 99 B12R2.44 O=CC1=CN=C2NC=NC2=C1 AC-88706 [1,0,0,0,0,1|2,0,0]=4 100 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 AC-87867 [0,0,0,0,0,2|1,0,1]=4 101 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 AC-30073 [0,0,0,0,0,2|2,0,0]=4 102 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 AC-64478 [0,0,0,0,0,2|1,0,1]=4 103 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 AC-30077 [0,0,0,0,0,2|2,0,0]=4 104 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 AC-79803 [0,0,0,0,0,2|2,0,0]=4 105 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 AC-29849 [0,0,0,0,0,2|2,0,0]=4