0 B12R2.252 O=C(C1=CN2C(SC=C2)=N1)O AK-17607 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.252 OC(=O)C1=CC2=C(CSC2)S1 AK-78613 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.252 OC(=O)C1=CC2=C(S1)C=CS2 AK-63502 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 OC(=O)C1=CN2C=CN=C2S1 AK-31307 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.400 O=C(C1=CC2=C(C=C(C)S2)N1)O AK213334 [0,1,0,0,0,0|1,0,0]=2 5 B13R2.400 O=C(C1=CN2C(SC(Br)=N2)=N1)O AK-31321 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.531 O=C(C1=CC2=C(C=CS2)N1)OC AK-41151 [0,1,0,0,0,0|1,0,0]=2 7 B13R2.2334 CC1=C(SC2=NC=C[N]12)C(=O)O AK-31305 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.3678 O=C(C1=CC2=C(C(Br)=CS2)N1)O AK-27390 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.35 O=C(O)C(N)CC1=CN=CS1 AK683578 [0,0,1,0,0,0|0,0,2]=3 10 B11R1.35 O=C(O)[C@@H](N)CC1=CC=CS1 AK-91723 [0,0,1,0,0,0|1,0,2]=4 11 B13R2.430 C1=C2SC=NC2=CC=C1[N+]([O-])=O AK-26610 [0,0,0,0,0,1|2,0,1]=4 12 B13R2.430 O=C(C1=CC2=C(C=C1)C=CN2)O AK-25192 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 O=C(C1=CC2=C(NC=C2)C=C1)O AK-28856 [0,0,0,0,0,1|2,0,1]=4 14 B13R2.430 O=C(C1=CC2=C(OC=C2)C=N1)O AK-43733 [0,0,0,0,0,1|2,0,1]=4 15 B13R2.430 O=C(C1=CC=2SC=NC2C=N1)O AK173368 [0,0,0,0,0,1|0,0,1]=2 16 B13R2.430 O=C(C1=CC=C2C(SC=N2)=N1)O AK163379 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 O=C(C1=CC=C2N=COC2=C1)O AK-72789 [0,0,0,0,0,1|1,1,0]=3 18 B13R2.430 O=C(C1=CC=C2NC=NC2=C1)N AK115220 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(C1=CC=C2NC=NC2=C1)O AK-27294 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.430 O=C(C1=CC=C2SC=NC2=C1)O AK-28116 [0,0,0,0,0,1|1,0,0]=2 21 B13R2.430 O=C(C1=CN2C(C=C1)=NC=C2)O AK-30259 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.430 O=C(C1=CN2C(C=N1)=NC=C2)O AK158190 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.430 O=C(C1=CN2C(N=C1)=NC=C2)O AK-41829 [0,0,0,0,0,1|2,0,1]=4 24 B13R2.430 O=C(C1=CN=C2C(NC=C2)=C1)O AK114425 [0,0,0,0,0,1|2,0,1]=4 25 B13R2.430 O=C(C1=CN=C2NC=CC2=C1)O AK-44421 [0,0,0,0,0,1|1,0,2]=4 26 B13R2.430 O=[N+](C1=CC=C2SC=NC2=C1)[O-] AK-24850 [0,0,0,0,0,1|2,0,1]=4 27 B13R2.430 OB(C1=CC=C2N=CSC2=C1)O AK-91682 [0,0,0,0,0,1|2,0,1]=4 28 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 AK-29522 [0,0,0,0,0,1|2,1,0]=4 29 B13R2.430 OC(=O)C1=CC2=C(NC=C2)C=N1 AK100626 [0,0,0,0,0,1|1,0,2]=4 30 B13R2.430 OC(=O)C1=CC2=C(NC=N2)N=C1 AK-68102 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.430 OC(=O)C1=CC2=C(OC=C2)C=C1 AK-29581 [0,0,0,0,0,1|2,1,0]=4 32 B13R2.430 OC(=O)C1=CC2=C(OC=N2)C=C1 AK-82316 [0,0,0,0,0,1|1,1,0]=3 33 B13R2.430 OC(=O)C1=NC2=C(C=C1)N=CN2 AK-87564 [0,0,0,0,0,1|1,0,2]=4 34 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.435 N1=C2[N](C=C1C(=O)O)C=CN=C2 AK-24658 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O AK161700 [0,0,0,0,0,1|2,0,0]=3 38 B13R2.435 O=C(C1=CC2=NC=CC=C2N1)O AK-68312 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.435 O=C(C=1NC2=C(C1)C=NC=C2)O AK-49014 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.435 O=C(C=1OC2=C(C1)C=CN=C2)O AK135360 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [0,0,0,0,0,1|3,0,0]=4 44 B13R2.435 [NH]1C2=NC=CC=C2C=C1C(=O)O AK-27984 [0,0,0,0,0,1|1,0,0]=2 45 B10R1.31 O=C(C1=CC=C(C=O)O1)O AK-58389 [1,0,1,0,0,0|1,1,0]=4 46 B10R1.31 O=C(C1=CC=C(C=O)S1)O AK-35246 [1,0,1,0,0,0|1,1,0]=4 47 B10R2.2 O=C1NC2=C(C=CS2)N1 AK167547 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.298 O=C(O)\C(C#N)=C\C1=CN=CS1 AK545889 [0,1,1,0,0,0|0,0,1]=3 49 B14R2.601 BrC1=NC2=C(S1)C=C(C=C2)C(=O)O AK-23614 [0,1,0,0,0,1|1,0,0]=3 50 B14R2.601 C1=C(C(O)=O)C=CC2=C1SC(=N2)N AK-28025 [0,1,0,0,0,1|1,0,0]=3 51 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O AK-31920 [0,1,0,0,0,1|1,1,0]=4 52 B14R2.601 ClC1=NC2=C(S1)C=C(C=C2)C(=O)O AK-23626 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.601 O=C(C1=CC=C2OC(C)=NC2=C1)O AK-79489 [0,1,0,0,0,1|1,1,0]=4 54 B14R2.601 O=C(C1=CC=C2SC(C)=NC2=C1)O AK-78669 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.966 COC(=O)C1=CC2=C(OC=N2)C=C1 AK-70291 [0,1,0,0,0,1|1,1,0]=4 56 B14R2.966 COC(=O)C1=CN=C2N=CNC2=C1 AK109607 [0,1,0,0,0,1|1,0,1]=4 57 B14R2.966 N1=C[NH]C2=C1C=CC(=C2)C(=O)OC AK-47426 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.5719 CN1C=NC2=C1C=CC(=C2)C(O)=O AK-27289 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.24358 C[N]1C2=C(N=C1)C=CC(=C2)C(=O)O AK-27290 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.450 C1=CC=CC2=C1[N](C)C(=C2)C(O)=O AK-29896 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.450 O=C(C1=C(Cl)C2=CC=CN=C2S1)O AK-31531 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 AK-68474 [0,1,0,0,0,1|1,0,0]=3 63 B14R2.972 O=C(C=1NC2=C(C1)C=CC=C2)OC AK-81488 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.4529 O=C(C1=CC2=CC(Cl)=CN=C2N1)O AK-27432 [0,1,0,0,0,1|1,0,0]=3 65 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Br)O AK-36225 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O AK-40726 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Cl)O AK-28711 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.4529 O=C(C=1NC2=C(C1)C=C(N=C2)Br)O AK-57018 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.4529 O=C(C=1NC2=C(C1)C=C(N=C2)Cl)O AK-27510 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)Br)O AK-27258 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)C)O AK-77187 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)F)O AK-34615 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O AK-44665 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.7969 BrC1=C2[NH]C(=CC2=CC=C1)C(=O)O AK-23872 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.7969 ClC1=NC=NC2=C1C=C([NH]2)C(=O)O AK-27584 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.7969 O=C(C1=CC2=NC=NC(Cl)=C2S1)O AK-77895 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)Br)O AK-23743 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)C)O AK-33829 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O AK-35026 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O AK-35025 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.7969 OC(=O)C1=CC2=C(N1)C=NC=C2Br AK100789 [0,1,0,0,0,1|1,0,0]=3 82 B14R2.839 CCOC(=O)C1=CC2=C(N1)C=CS2 AK-23897 [0,2,0,0,0,0|1,0,0]=3 83 B14R2.10637 O=C(C1=CC2=C(C(Br)=CS2)N1)OC AK-28411 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.23 O=C(O)[C@H](N)C1=CC=CS1 AK162653 [0,0,1,0,1,0|1,0,1]=4 85 B12R2.32 O=CC1=CC2=CC=CN=C2S1 AK298904 [1,0,0,0,0,1|2,0,0]=4 86 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 AK-99902 [1,0,0,0,0,1|1,1,0]=4 87 B12R2.44 O=CC1=CC=C2C=CSC2=C1 AK127851 [1,0,0,0,0,1|2,0,0]=4 88 B12R2.44 O=CC1=CC=C2N=CSC2=C1 AK-64307 [1,0,0,0,0,1|1,0,0]=3 89 B12R2.44 O=CC1=CC=C2SC=NC2=C1 AK-80151 [1,0,0,0,0,1|1,0,0]=3 90 B12R2.44 OCC1=CC2=C(SC=N2)C=C1 AK-80681 [1,0,0,0,0,1|1,0,1]=4 91 B14R2.781 C1=CC2=C(C=C(C=C2)C(=O)O)N=C1 AK-28074 [0,0,0,0,0,2|2,0,0]=4 92 B14R2.781 O=C(C1=CC2=C(C=NC=C2)C=C1)O AK-32779 [0,0,0,0,0,2|2,0,0]=4 93 B14R2.781 O=C(C1=CC2=CC=CN=C2N=C1)O AK113006 [0,0,0,0,0,2|1,0,1]=4 94 B14R2.781 O=C(C1=CC=C2N=CC=CC2=C1)O AK-24770 [0,0,0,0,0,2|2,0,0]=4 95 B14R2.781 O=C(C1=CC=C2N=CC=NC2=C1)O AK-36121 [0,0,0,0,0,2|2,0,0]=4 96 B14R2.781 O=C(C1=NC2=NC=CC=C2C=C1)O AK112896 [0,0,0,0,0,2|1,0,1]=4 97 B14R2.781 OC(=O)C1=CC=C2N=CN=CC2=C1 AK-27621 [0,0,0,0,0,2|2,0,0]=4 98 B14R2.1008 O=C(O)CC1=CC=C2C(NC=N2)=C1 AK153442 [0,0,0,0,0,2|2,0,0]=4 99 B14R2.768 [NH]1C2=CC=CC=C2C=C1CC(=O)O AK-46211 [0,0,0,0,0,2|2,0,0]=4