0 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 7894AE [0,0,0,0,0,0|1,1,0]=2 1 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 5340AB [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 2023AC [0,0,0,0,0,0|4,0,0]=4 3 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 V5239 [0,1,0,0,0,0|1,0,0]=2 4 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 W8639 [0,1,0,0,0,0|1,0,0]=2 5 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 6925AC [0,1,0,0,0,0|2,0,0]=3 6 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 W5490 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.35 NC(CC1=CN=CN1)C(=O)O 4462AA [0,0,1,0,0,0|1,0,2]=4 8 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O C958 [0,0,1,0,0,0|1,0,2]=4 9 B11R1.35 O=C(O)C(=O)NC1=NC=CS1 8166AE [0,0,1,0,0,0|3,0,0]=4 10 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 5034AC [0,0,0,0,0,1|2,0,0]=3 11 B13R2.430 NC(=O)C1=CC2=C(C=C1)NC=N2 2711AA [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 1004AA [0,0,0,0,0,1|3,0,0]=4 13 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 Y9721 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 Y7738 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 4902AC [0,0,0,0,0,1|1,0,2]=4 16 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 Y4055 [0,0,0,0,0,1|2,1,0]=4 17 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 Z4196 [0,0,0,0,0,1|1,1,0]=3 18 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 Y7487 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 Z7394 [0,0,0,0,0,1|2,0,1]=4 20 B13R2.430 O=C(O)C1=NC2=C(C=C1)N=CN2 0517AA [0,0,0,0,0,1|1,0,2]=4 21 B13R2.430 O=C(O)[C@@H]1CC2=C(CN1)N=CN2 7292AH [0,0,0,0,0,1|1,0,2]=4 22 B13R2.430 O=[N+]([O-])C1=CC=C2SC=NC2=C1 W5193 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.430 OB(O)C1=CC=C2N=CSC2=C1 V6205 [0,0,0,0,0,1|2,0,1]=4 24 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 Z4742 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 1053AE [0,0,0,0,0,1|3,0,0]=4 26 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 W8524 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 Y8409 [0,0,0,0,0,1|1,0,0]=2 28 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 X8567 [0,0,0,0,0,1|1,0,0]=2 29 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 5274AC [0,0,0,0,0,1|1,0,0]=2 30 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 X9960 [0,0,0,0,0,1|1,0,0]=2 31 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 Y7817 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 9936AB [0,0,0,0,0,1|2,0,1]=4 33 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 W8372 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 Y4224 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.66 CC(=O)\C=C\C1=CC=CS1 Z2375 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.66 O=C(O)CNC1=CSC=C1 Z5613 [1,0,1,0,0,0|1,0,1]=4 37 B10R1.66 O=C(O)\C=C\C1=CN=CN1 1164AA [1,0,1,0,0,0|1,0,0]=3 38 B10R1.66 O=C(O)\C=C\C1=COC=C1 5128AB [1,0,1,0,0,0|2,0,0]=4 39 B10R1.31 O=CC1=CC=C(C(=O)O)N1 1060AC [1,0,1,0,0,0|0,1,0]=3 40 B10R1.31 O=CC1=CC=C(C(=O)O)S1 Z2524 [1,0,1,0,0,0|1,1,0]=4 41 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 Z4494 [0,1,0,0,0,1|1,0,0]=3 42 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2O1 W9301 [0,1,0,0,0,1|1,1,0]=4 43 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 X9879 [0,1,0,0,0,1|1,1,0]=4 44 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 8257AE [0,1,0,0,0,1|1,0,0]=3 45 B14R2.601 O=C(O)C1=CC=C2N=C(Br)SC2=C1 W4624 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.601 O=C(O)C1=CC=C2N=C(Cl)SC2=C1 W5926 [0,1,0,0,0,1|1,0,0]=3 47 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 5581AA [0,1,0,0,0,1|1,1,0]=4 48 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=N2 6537AB [0,1,0,0,0,1|1,0,0]=3 49 B14R2.966 COC(=O)C1=CC=C2N=CSC2=C1 1479AC [0,1,0,0,0,1|1,0,0]=3 50 B14R2.966 COC(=O)C1=CC=C2OC=NC2=C1 V9181 [0,1,0,0,0,1|1,1,0]=4 51 B14R2.5719 CN1C=NC2=CC(C(=O)O)=CC=C21 Y9373 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 8267AC [0,1,0,0,0,1|2,0,0]=4 53 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 W5138 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CN=C2S1 5982AC [0,1,0,0,0,1|2,0,0]=4 55 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 W3994 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 V0523 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 N496 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 W8527 [0,1,0,0,0,1|1,0,0]=3 59 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Cl)=C2)N1 W8526 [0,1,0,0,0,1|1,0,0]=3 60 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 4229AA [0,1,0,0,0,1|1,0,0]=3 61 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 W8528 [0,1,0,0,0,1|1,0,0]=3 62 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 5556AC [0,1,0,0,0,1|1,0,0]=3 63 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 Y4125 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 W3993 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 V0127 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 Y3253 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 W6036 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 W3636 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=CC=C2 2891AB [0,1,0,0,0,1|2,0,0]=4 70 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H127 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)S1 0318AB [0,2,0,0,0,0|2,0,0]=4 72 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=C2 1382AE [0,2,0,0,0,0|2,0,0]=4 73 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5876 [0,0,1,0,1,0|1,0,1]=4 74 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5936 [0,0,1,0,1,0|1,0,1]=4 75 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [0,0,1,0,0,1|2,0,0]=4 76 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 Y9672 [1,0,0,0,0,1|2,0,0]=4 77 B12R2.32 O=CC1=CC2=CC=CN=C2N1 Y8980 [1,0,0,0,0,1|1,0,0]=3 78 B12R2.32 O=CC1=CC2=CC=CN=C2S1 Y9351 [1,0,0,0,0,1|2,0,0]=4 79 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 9768AB [1,0,0,0,0,1|1,1,0]=4 80 B12R2.44 O=CC1=CC=C2N=CSC2=C1 W4229 [1,0,0,0,0,1|1,0,0]=3 81 B12R2.44 O=CC1=CC=C2SC=CC2=C1 Y6790 [1,0,0,0,0,1|2,0,0]=4 82 B12R2.44 O=CC1=CC=C2SC=NC2=C1 W5978 [1,0,0,0,0,1|1,0,0]=3 83 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 0272AB [1,0,0,0,0,1|1,0,1]=4 84 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 X8858 [0,0,0,0,0,2|2,0,0]=4 85 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 Y5163 [0,0,0,0,0,2|2,0,0]=4