0 B12R2.252 O=C(O)C1=CC2=C(NC=C2)N1 D75949 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.252 O=C(O)C1=NN2CCOC2=C1 94755 [0,0,0,0,0,0|1,0,3]=4 2 B11R2.15 O=CC1=CC2=C(C=CS2)N1 AT18505 [1,0,0,0,0,0|0,1,0]=2 3 B11R2.15 O=CC1=CC2=C(C=NN2)S1 D74301 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.15 OCC1=CC2=C(C=CS2)N1 AT18504 [1,0,0,0,0,0|0,1,1]=3 5 B13R2.400 O=C(O)C1=CC2=C(N1)SC(Cl)=C2 L10084 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.531 COC(=O)C1=CC2=C(C=NN2)S1 D74303 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.531 COC(=O)C1=CC2=C(NC=C2)N1 D75948 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.35 N[C@@H](CC1=CC=CN1)C(=O)O 67419 [0,0,1,0,0,0|1,0,2]=4 9 B13R2.430 CC(=O)C1=NC2=C(C=N1)NC=C2 F52236 [0,0,0,0,0,1|2,0,1]=4 10 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NO2 AC9135 [0,0,0,0,0,1|2,0,0]=3 11 B13R2.430 O=C(O)C1=CC2=C(C=C1)ON=C2 P20499 [0,0,0,0,0,1|2,0,0]=3 12 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=N1 D74404 [0,0,0,0,0,1|0,1,1]=3 13 B13R2.430 O=C(O)C1=CN2C=CC=C2C=C1 C75753 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CN=C2OC=CC2=C1 AT21737 [0,0,0,0,0,1|1,0,0]=2 15 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=C2 AT24847 [0,0,0,0,0,1|0,0,1]=2 16 B13R2.430 O=C(O)C1=NC=C2C=CNC2=C1 27673 [0,0,0,0,0,1|1,0,1]=3 17 B13R2.430 O=C(O)C1=NC=C2C=COC2=C1 D73588 [0,0,0,0,0,1|0,0,1]=2 18 B13R2.430 O=C(O)[C@@H]1CC2=C(C=CS2)CN1 AT21868 [0,0,0,0,0,1|0,1,2]=4 19 B13R2.430 O=C(O)[C@@H]1CC2=C(C=CS2)CN1 AT21869 [0,0,0,0,0,1|0,1,2]=4 20 B13R2.430 O=C(O)[C@@H]1CC2=C(C=CS2)CN1 AT21870 [0,0,0,0,0,1|0,1,2]=4 21 B13R2.430 O=C(O)[C@H]1CCC2=C(C1)OC=C2 W11292 [0,0,0,0,0,1|1,0,2]=4 22 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 D72860 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)S1 CS1872 [0,0,0,0,0,1|2,0,1]=4 24 B13R2.435 O=C(O)C1=NC2=CC=CN=C2S1 P12275 [0,0,0,0,0,1|2,0,1]=4 25 B13R2.435 OB(O)C1=CC2=C(N=CC=C2)N1 P19338 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [1,0,1,0,0,0|0,0,2]=4 27 B12R1.104 CC1=CC=C(C[C@H](N)C(=O)O)O1 D74836 [0,1,1,0,0,0|0,0,2]=4 28 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 AT21880 [0,1,1,0,0,0|0,0,2]=4 29 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 AT21881 [0,1,1,0,0,0|0,0,2]=4 30 B12R2.364 CC1=CC2=C(C=C(C=O)N2)S1 AT18499 [1,1,0,0,0,0|0,1,0]=3 31 B14R2.601 CC1=CC2=NC=C(C(=O)O)C=C2N1 P11557 [0,1,0,0,0,1|1,0,1]=4 32 B14R2.624 NC1=C(C(=O)O)C=C2C=CNC2=C1 C91640 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.624 O=C(O)C1=C(Br)C=C2C=CNC2=C1 P19274 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.966 COC(=O)C1=CC2=C(C=CS2)C=N1 D74408 [0,1,0,0,0,1|0,1,1]=4 35 B14R2.966 COC(=O)C1=NC2=C(C=CO2)C=C1 P18756 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.966 COC(=O)[C@@H]1CC2=C(C=CO2)CN1 AT21882 [0,1,0,0,0,1|0,0,2]=4 37 B14R2.966 COC(=O)[C@@H]1CC2=C(C=CO2)CN1 AT21883 [0,1,0,0,0,1|0,0,2]=4 38 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=N2 F50570 [0,1,0,0,0,1|1,0,1]=4 39 B14R2.5719 O=C(O)C1=CN=C2C(Cl)=CNC2=C1 P11556 [0,1,0,0,0,1|1,0,1]=4 40 B14R2.5998 O=C(O)C1=CN=C2C=CSC2=C1O C91358 [0,1,0,0,0,1|0,1,1]=4 41 B14R2.8824 O=C(O)C1=CC(Br)=C2OC=CC2=N1 P18009 [0,1,0,0,0,1|0,0,1]=3 42 B14R2.8824 O=C(O)C1=CC(I)=C2C=CNC2=C1 87037 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.8824 O=C(O)C1=CC(O)=C2SC=CC2=C1 AT21715 [0,1,0,0,0,1|1,1,0]=4 44 B14R2.24358 CC1=CNC2=NC=C(C(=O)O)C=C12 P13296 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.24358 O=C(O)C1=CC2=C(C=C1)OCC2=O P19564 [0,1,0,0,0,1|1,0,1]=4 46 B14R2.24358 O=C(O)C1=CC=C2NC=C(Br)C2=N1 F30323 [0,1,0,0,0,1|1,0,1]=4 47 B14R2.24358 O=C(O)C1=CC=C2OC=C(Br)C2=N1 96805 [0,1,0,0,0,1|0,0,1]=3 48 B14R2.24358 O=C(O)C1=CC=C2SC=C(Br)C2=N1 96808 [0,1,0,0,0,1|0,1,1]=4 49 B14R2.450 CN1C(C(=O)Cl)=CC2=C1C=CC=C2 24453 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.450 CN1C(C(=O)O)=CC2=C1N=CN=C2 P13436 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.972 COC(=O)C1=NC2=C(C=CN=C2)N1 87411 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.4529 NC1=NC2=C(C=N1)C=C(C(=O)O)N2 P14411 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.4529 O=C(O)C1=CC2=C(C=CC(I)=C2)N1 AT23463 [0,1,0,0,0,1|1,0,0]=3 54 B14R2.7969 O=C(O)C1=CC2=C(N=NC=C2O)N1 94924 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.7969 O=C(O)C1=NC2=C(Cl)C=CN=C2N1 P17653 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.707 CC1=C(C)C2=C(C=C(C(=O)O)N2)O1 AT11859 [0,2,0,0,0,0|0,0,0]=2 57 B14R2.839 CCOC(=O)C1=CC2=C(NC=C2)N1 D75947 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.64 O=C(O)CC1=C(Cl)C=CO1 AC1393 [0,0,1,0,1,0|1,0,1]=4 59 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 AT21739 [1,0,0,0,0,1|2,0,0]=4 60 B12R2.44 O=CC1=NC2=C(C=C1)NC=C2 F18528 [1,0,0,0,0,1|1,0,1]=4 61 B12R2.44 O=CC1=NC2=C(C=C1)OC=C2 AT24848 [1,0,0,0,0,1|0,0,1]=3 62 B12R2.44 OCC1=CN=C2OC=CC2=C1 98456 [1,0,0,0,0,1|1,0,1]=4 63 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)CC1 AT23526 [0,0,0,0,0,2|2,0,0]=4 64 B14R2.781 O=C(O)C1=CC2=CC=NN=C2C=C1 F30688 [0,0,0,0,0,2|2,0,0]=4 65 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 C16002 [0,0,0,0,0,2|1,0,1]=4 66 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=C2 F20651 [0,0,0,0,0,2|2,0,0]=4 67 B14R2.1008 O=C(O)CC1=CC2=C(C=CO2)C=C1 72710 [0,0,0,0,0,2|1,0,0]=3