0 B12R2.252 B(C1=CC2=C(S1)C=CS2)(O)O T405007 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.252 C1=CSC2=C1SC(=C2)C(=O)O T162471 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.252 C1C2=C(CS1)SC(=C2)C(=O)O D155813 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.252 C1CC2=C(C1)SC(=C2)C(=O)O D358318 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.531 COC(=O)C1=CC2=C(S1)C=CS2 M158284 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N D346526 [0,0,1,0,0,0|1,0,2]=4 6 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H105705 [0,0,1,0,0,0|1,0,2]=4 7 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106210 [0,0,1,0,0,0|1,0,2]=4 8 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106211 [0,0,1,0,0,0|1,0,2]=4 9 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106212 [0,0,1,0,0,0|1,0,2]=4 10 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108260 [0,0,1,0,0,0|1,0,2]=4 11 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108261 [0,0,1,0,0,0|1,0,2]=4 12 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108262 [0,0,1,0,0,0|1,0,2]=4 13 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H111055 [0,0,1,0,0,0|1,0,2]=4 14 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H117212 [0,0,1,0,0,0|1,0,2]=4 15 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H586116 [0,0,1,0,0,0|1,0,2]=4 16 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N L424948 [0,0,1,0,0,0|1,0,2]=4 17 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N L425627 [0,0,1,0,0,0|1,0,2]=4 18 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N P341592 [0,0,1,0,0,0|1,0,2]=4 19 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T135712 [0,0,1,0,0,0|1,0,2]=4 20 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T464847 [0,0,1,0,0,0|1,0,2]=4 21 B13R2.430 C1=CC(=CC2=C1C=CN2)C(=O)O I124058 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.430 C1=CC(=CC2=C1C=CO2)C(=O)O B177410 [0,0,0,0,0,1|2,1,0]=4 23 B13R2.430 C1=CC(=NC2=C1C=CN2)C(=O)O H178089 [0,0,0,0,0,1|1,0,2]=4 24 B13R2.430 C1=CC2=C(C=C1C(=O)O)N=CO2 B482323 [0,0,0,0,0,1|1,1,0]=3 25 B13R2.430 C1=CC2=C(C=C1C(=O)O)N=CS2 B186028 [0,0,0,0,0,1|1,0,0]=2 26 B13R2.430 C1=CC2=C(C=C1C(=O)O)NC=N2 B107472 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.430 C1=CC2=C(C=C1C(=O)O)OC=N2 B191124 [0,0,0,0,0,1|1,1,0]=3 28 B13R2.430 C1=CC2=C(C=C1C(=O)O)SC=N2 B138740 [0,0,0,0,0,1|1,0,0]=2 29 B13R2.430 C1=CC2=C(C=C1[N+](=O)[O-])N=CS2 N133779 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.430 C1=CC2=C(C=C1[N+](=O)[O-])SC=N2 N137165 [0,0,0,0,0,1|2,0,1]=4 31 B13R2.430 C1=CC2=C(C=CN2)C=C1C(=O)O I101996 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.430 C1=CC2=NNN=C2C=C1C(=O)O B152698 [0,0,0,0,0,1|3,0,0]=4 33 B13R2.430 C1=CC2=NON=C2C=C1C(=O)O W135327 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.430 C1=CNC2=C1N=CC(=C2)C(=O)O H165977 [0,0,0,0,0,1|2,0,1]=4 35 B13R2.430 C1=CNC2=NC=C(C=C21)C(=O)O H136030 [0,0,0,0,0,1|1,0,2]=4 36 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O I107987 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O B170589 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O B152934 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O H134909 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.435 C1=CN2C=C(N=C2N=C1)C(=O)O I136989 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 A346740 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.66 C1=C(NC=N1)C=CC(=O)O I165655 [1,0,1,0,0,0|1,0,0]=3 43 B10R1.66 C1=C(NC=N1)C=CC(=O)O T162071 [1,0,1,0,0,0|1,0,0]=3 44 B10R1.66 C1=COC(=C1)C=CC(=O)O F103094 [1,0,1,0,0,0|1,1,0]=4 45 B10R1.66 C1=COC=C1C=CC(=O)O T341153 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.66 C1=CSC(=C1)C=CC(=O)O T124452 [1,0,1,0,0,0|1,0,0]=3 47 B10R1.66 C1=CSC(=C1)C=CC(=O)O T162810 [1,0,1,0,0,0|1,0,0]=3 48 B10R1.66 C1=CSC=C1C=CC(=O)O E171720 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.31 C1=C(OC(=C1)C(=O)O)C=O F156654 [1,0,1,0,0,0|1,1,0]=4 50 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O F156760 [1,0,1,0,0,0|1,1,0]=4 51 B14R2.601 C1=CC2=C(C=C1C(=O)O)SC(=N2)Br B182963 [0,1,0,0,0,1|1,0,0]=3 52 B14R2.601 C1=CC2=C(C=C1C(=O)O)SC(=N2)N A188429 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O M181243 [0,1,0,0,0,1|1,1,0]=4 54 B14R2.601 CC1=NC2=C(O1)C=CC(=C2)C(=O)O M187972 [0,1,0,0,0,1|1,1,0]=4 55 B14R2.601 CC1=NC2=C(S1)C=C(C=C2)C(=O)O M186078 [0,1,0,0,0,1|1,0,0]=3 56 B14R2.601 CC1=NC2=C(S1)C=CC(=C2)C(=O)O M192293 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 M158017 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 M181077 [0,1,0,0,0,1|1,1,0]=4 59 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 M188302 [0,1,0,0,0,1|1,1,0]=4 60 B14R2.5719 CN1C=NC2=C1C=CC(=C2)C(=O)O M185048 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.5719 CN1C=NC2=C1N=CC(=C2)C(=O)O M166051 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.450 C1=CC2=C(N=C1)SC(=C2N)C(=O)O A479212 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.450 C1=CC=C2C(=C1)C(=C(N2)C(=O)O)Cl C405500 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.450 CN1C2=CC=CC=C2C=C1C(=O)O M131910 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.972 COC(=O)C1=CC2=C(N1)N=CC=C2 M170101 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 M124780 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.4529 C1=C2C=C(NC2=NC=C1Br)C(=O)O B166567 [0,1,0,0,0,1|1,0,0]=3 68 B14R2.4529 C1=CC2=C(C=C1Br)C=C(N2)C(=O)O B123332 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.4529 C1=CC2=C(C=C1Br)NC(=C2)C(=O)O B152539 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.4529 C1=CC2=C(C=C1Cl)C=C(N2)C(=O)O C123333 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.4529 C1=CC2=C(C=C1F)C=C(N2)C(=O)O F123372 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 C1=CC2=C(C=C1F)NC(=C2)C(=O)O F176073 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.4529 C1=CC2=C(C=C1O)C=C(N2)C(=O)O H119318 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O M182288 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O M124813 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.7969 C1=C(SC2=C1C(=NC=N2)Cl)C(=O)O C177758 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.7969 C1=CC2=C(C(=C1)Br)NC(=C2)C(=O)O B124787 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.7969 C1=CC2=C(C(=C1)Cl)NC(=C2)C(=O)O C183450 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O M182287 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.226 C1=CC(=CC(=C1)N)C=CC(=O)O E405645 [0,0,1,0,0,1|2,0,0]=4 81 B12R2.32 C1=CC=C2C(=C1)C=C(N2)C=O I124840 [1,0,0,0,0,1|2,0,0]=4 82 B12R2.32 C1=CN=CC2=C1NC(=C2)C=O H194297 [1,0,0,0,0,1|2,0,0]=4 83 B12R2.44 C1=CC2=C(C=C1C=O)SC=N2 B191898 [1,0,0,0,0,1|1,0,0]=3 84 B14R2.781 C1=CC2=C(C=C(C=C2)C(=O)O)N=C1 Q179305 [0,0,0,0,0,2|2,0,0]=4 85 B14R2.781 C1=CC2=C(C=C(C=N2)C(=O)O)N=C1 N187990 [0,0,0,0,0,2|2,0,0]=4 86 B14R2.781 C1=CC2=C(C=CC(=C2)C(=O)O)N=C1 Q160819 [0,0,0,0,0,2|2,0,0]=4 87 B14R2.781 C1=CC2=NC=CN=C2C=C1C(=O)O Q340452 [0,0,0,0,0,2|2,0,0]=4 88 B14R2.1008 C1=CC2=C(C=C1CC(=O)O)NC=N2 H589205 [0,0,0,0,0,2|2,0,0]=4