0 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS-W019416 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 CS-W023047 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CS-M1850 [0,0,0,0,0,0|0,0,0]=0 3 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CS-W004676 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CS-D0705 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS-W008320 [0,0,0,0,0,0|1,0,1]=2 6 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 CS-0019267 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 CS-W010861 [0,0,0,0,0,0|1,0,2]=3 8 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 CS-W018486 [0,0,0,0,0,0|2,0,1]=3 9 B12R2.32 CCC1=NC2=CC=CC=C2N1 CS-0030568 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 CS-0030505 [1,0,0,0,0,0|1,0,1]=3 11 B12R2.32 O=CC1=NC2=CC=CC=C2N1 CS-W004873 [1,0,0,0,0,0|1,0,0]=2 12 B12R2.32 OCC1=CC2=CC=CC=C2O1 CS-0062599 [1,0,0,0,0,0|1,0,1]=3 13 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 CS-W019081 [1,0,0,0,0,0|1,0,2]=4 14 B14R2.450 CN1C(B(O)O)=CC2=C1C=CC=C2 CS-0101918 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 CS-W007593 [0,1,0,0,0,0|0,0,0]=1 16 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS-W007385 [0,1,0,0,0,0|0,0,0]=1 17 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 CS-W017282 [0,1,0,0,0,0|0,0,0]=1 18 B14R2.4529 O=C(O)C1=CN2N=C(Cl)C=CC2=N1 CS-0043062 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.7969 CC1=C2NC(C(=O)O)=CC2=CC=C1 CS-W005593 [0,1,0,0,0,0|0,0,0]=1 20 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 CS-0030481 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O CS-W021018 [0,0,1,0,0,0|1,0,2]=4 22 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS-W018529 [0,0,1,0,0,0|0,0,2]=3 23 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O CS-0041637 [0,0,1,0,0,0|1,0,2]=4 24 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CS-0042547 [0,0,1,0,0,0|0,0,2]=3 25 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O CS-0041636 [0,0,1,0,0,0|1,0,2]=4 26 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(=N)O CS-W015584 [0,0,1,0,0,0|1,0,2]=4 27 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 CS-0073823 [0,0,1,0,0,0|1,0,2]=4 28 B12R1.125 CC1=CC=CC=C1CCC(=O)O CS-W005547 [0,0,1,0,0,0|1,0,2]=4 29 B12R1.125 O=C(O)CCC1=CC=CC=C1Br CS-W007510 [0,0,1,0,0,0|1,0,2]=4 30 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [0,0,1,0,0,0|1,0,2]=4 31 B12R1.125 O=C(O)CCC1=CC=CC=C1F CS-W007890 [0,0,1,0,0,0|1,0,2]=4 32 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br CS-0063883 [0,0,1,0,0,0|1,0,0]=2 33 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-W014304 [0,0,1,0,0,0|1,0,0]=2 34 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CS-B1305 [0,0,0,0,0,1|2,0,0]=3 35 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS-D0699 [0,0,0,0,0,1|0,0,1]=2 36 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS-W007519 [0,0,0,0,0,1|0,0,1]=2 37 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 CS-D0464 [0,0,0,0,0,1|2,0,0]=3 38 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 CS-D1100 [0,0,0,0,0,1|3,0,0]=4 39 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 CS-0105385 [0,0,0,0,0,1|0,0,2]=3 40 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 CS-W002348 [0,0,0,0,0,1|1,0,2]=4 41 B11R1.40 C=CC(=O)NC1=CC=CC=C1 CS-W019368 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-W007319 [1,0,1,0,0,0|0,0,2]=4 45 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [1,0,1,0,0,0|1,0,0]=3 47 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-0031474 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-W007478 [1,0,1,0,0,0|1,0,1]=4 49 B11R2.10 CC1=CC2=CC=CC=C2N1 CS-W007556 [2,0,0,0,0,0|0,0,1]=3 50 B11R2.10 ClC1=NC2=CC=CC=C2N1 CS-W016291 [2,0,0,0,0,0|2,0,0]=4 51 B11R2.10 N=C1NC2=CC=CC=C2S1 CS-W018140 [2,0,0,0,0,0|2,0,0]=4 52 B11R2.10 O=C1CC2=C(C=CC=C2)C1 CS-W020518 [2,0,0,0,0,0|1,0,1]=4 53 B11R2.10 S=C1NC2=CC=CC=C2N1 CS-W023180 [2,0,0,0,0,0|1,1,0]=4 54 B11R2.10 S=C1NC2=CC=CC=C2S1 CS-W017829 [2,0,0,0,0,0|1,1,0]=4 55 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 CS-W022747 [0,1,1,0,0,0|0,0,2]=4 56 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS-0008411 [0,1,1,0,0,0|0,0,2]=4 57 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O CS-W009177 [0,1,1,0,0,0|0,0,2]=4 58 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O CS-W007615 [0,1,1,0,0,0|0,0,2]=4 59 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W019793 [0,1,1,0,0,0|0,0,2]=4 60 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O CS-M3473 [0,1,1,0,0,0|1,0,1]=4 61 B13R1.164 C(C(=O)O)=CC1=C(F)C=C(Br)C=C1 CS-W010258 [0,1,1,0,0,0|1,0,0]=3 62 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1Cl CS-W021513 [0,1,1,0,0,0|1,0,0]=3 63 B13R1.893 O=C(O)\C=C\C1=CC(Br)=CC=C1F CS-0044968 [0,1,1,0,0,0|1,0,0]=3 64 B15R2.627 O=C(O)C1=C(Br)C2=CC=CC=C2C=C1 CS-W014099 [0,1,0,0,0,1|1,0,0]=3 65 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O CS-M2264 [0,1,0,0,0,1|0,0,0]=2 66 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O CS-W016820 [0,1,0,0,0,1|1,0,0]=3 67 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2OC1 CS-0059245 [0,1,0,0,0,1|1,0,0]=3 68 B15R2.7180 O=C(O)[C@@H]1CC2=C(C=C(O)C=C2)CN1 CS-W009083 [0,1,0,0,0,1|0,0,2]=4 69 B15R2.61353 O=C(O)C1=NC2=C(C=CC=C2Br)C=C1 CS-W022562 [0,1,0,0,0,1|0,0,1]=3 70 B15R2.1592 COC(=O)C1=NC2=CC=CC=C2N1C CS-0042584 [0,2,0,0,0,0|1,0,0]=3 71 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=N2)N1 CS-W006111 [0,2,0,0,0,0|1,0,0]=3 72 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2N1 CS-0043193 [0,2,0,0,0,0|1,0,0]=3 73 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)S1 CS-0041254 [0,2,0,0,0,0|1,0,0]=3 74 B15R2.1590 COC(=O)C1=CC2=CC(N)=CC=C2S1 CS-W022860 [0,2,0,0,0,0|1,0,0]=3 75 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2S1 CS-0041253 [0,2,0,0,0,0|1,0,0]=3 76 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2F)N1 CS-0030010 [0,2,0,0,0,0|0,0,0]=2 77 B15R2.15633 O=C(O)C1=CC2=C(N1)C(Cl)=CC(Cl)=C2 CS-0041854 [0,2,0,0,0,0|0,0,0]=2 78 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 CS-W008166 [0,0,1,1,0,0|2,0,0]=4 79 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 CS-D1057 [0,0,1,1,0,0|2,0,0]=4 80 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 CS-W016136 [0,0,1,1,0,0|2,0,0]=4 81 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 CS-W020469 [0,0,1,1,0,0|2,0,0]=4 82 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 CS-W005955 [0,0,1,1,0,0|2,0,0]=4 83 B13R2.430 O=C(O)C1=CC=C2SC=CC2=C1 CS-B1177 [0,0,1,1,0,0|2,0,0]=4 84 B13R2.5569 O=C(O)C1=CC=CC2=C1NC=C2 CS-W016137 [0,0,1,1,0,0|2,0,0]=4 85 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [0,0,1,0,1,0|2,0,0]=4 86 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CS-W019313 [0,0,1,0,1,0|1,0,1]=4 87 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS-W010964 [0,0,1,0,1,0|0,0,1]=3 88 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CS-W018122 [0,0,1,0,1,0|0,0,1]=3 89 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CS-D1423 [0,0,1,0,1,0|1,0,1]=4 90 B11R1.86 CC(=O)NC1=CC=CC=C1N CS-W008938 [0,0,1,0,1,0|2,0,0]=4 91 B11R1.86 CC1=CC=CC=C1CC(=O)O CS-W018151 [0,0,1,0,1,0|0,0,2]=4 92 B11R1.86 O=C(O)CC1=CC=CC=C1F CS-W020118 [0,0,1,0,1,0|1,0,1]=4 93 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CS-M2900 [0,0,1,0,0,1|0,0,2]=4 94 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CS-0033656 [0,0,1,0,0,1|0,0,2]=4 95 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CS-W019322 [0,0,1,0,0,1|1,0,1]=4 96 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CS-D1121 [1,0,0,0,0,1|1,0,0]=3 97 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 CS-W016903 [0,0,0,0,0,2|1,0,0]=3