0 B11R1.53 CC(=O)C1=CC=CC=C1C#N AE-562/43459667 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.53 CCC1=CC=CC=C1C(=O)O AE-562/43460169 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 AP-065/40180106 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.53 COC1=CC=CC=C1C(=O)O AQ-344/40173719 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.53 CSC1=NC=CC=C1C(=O)O AJ-333/25022068 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.20 CNC1=NC=CN=C1C#N AQ-917/41583898 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.20 COC1=C(C#N)N=CC=N1 AQ-917/42753965 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.61 CC1=C(C(=O)O)C=CC=C1 AB-131/40195545 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.61 CC1=C(C(N)=O)C=CC=C1 AE-508/40403814 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.61 CC1=NC=CC=C1C(=O)O AO-801/41077423 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 AC-907/25004499 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.61 NC(=O)C1=C(Cl)N=CC=C1 AC-907/25014103 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.61 NC(=O)C1=C(N)N=CC=C1 AN-584/40289799 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.61 NC1=C(C(=O)O)C=CC=N1 AC-907/25014115 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.61 NC1=C(C(=O)O)N=CC=C1 AF-807/00322011 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.61 NC1=NC=CN=C1C(=O)O AB-323/25048525 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 AC-907/30003052 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 AC-907/34123052 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 AC-907/30003060 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.61 O=C(O)C1=C(O)C=CC=N1 AC-907/25014108 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.61 O=C(O)C1=C(O)N=CC=C1 AI-942/25034173 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.61 O=C(O)C1=C(S)N=CC=C1 AI-204/31702063 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.61 O=C(O)C1=CC=CN=C1F AI-942/25034137 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.61 O=C(O)C1=NC=CC=C1Br AF-399/40963066 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.61 O=C([O-])C1=C(O)N=CC=C1 AC-907/25004510 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 AQ-358/40233645 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.77 CNC1=C(C(=O)OC)N=CC=N1 AQ-917/42753963 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 AE-562/40238261 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.77 COC(=O)C1=C(SC)N=CC=C1 AJ-333/25006178 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O AE-562/43286905 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.261 NC(=O)C1=C(C(N)=O)N=CC=N1 AC-907/25014119 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.283 CCNC1=NC=CN=C1C(N)=O AQ-917/42754201 [0,1,0,0,0,0|1,0,0]=2 32 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 AQ-405/42300548 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AB-131/40347218 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.1081 O=C1N=CNC2=C1N=CC=N2 AC-907/25014101 [0,0,0,1,0,0|2,0,1]=4 35 B12R1.75 CCC1=C(NC(N)=O)C=CC=C1 AR-360/42570316 [0,0,0,0,0,1|3,0,0]=4 36 B12R1.75 CCC1=CC=CC=C1NC(C)=O AE-562/40326597 [0,0,0,0,0,1|2,0,0]=3 37 B12R1.75 COC1=CC=CC=C1NC(C)=O AE-641/00783050 [0,0,0,0,0,1|3,0,0]=4 38 B9R1.15 NC1=C(C=O)C=CC=N1 AA-516/30054004 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 CC(=O)C1=CN=CC=C1 AE-641/00369001 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.6 NC(=O)C1=CN=CC=C1 AC-907/25014114 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 NC(=O)C1=NC=CN=C1 AC-907/25014068 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.6 O=C(O)C1=CN=CC=C1 AC-907/25014105 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.6 O=C(O)C1=CN=CC=N1 AB-131/40186434 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.6 O=C([O-])C1=CN=CC=C1 AC-907/25004509 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.222 CNC(=O)C1=C(C)C=CC=C1 AP-065/40324499 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.222 COC(=O)C1=C(I)C=CC=N1 AJ-333/25022047 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.222 COC(=O)C1=C(N)N=CC=N1 AB-323/25048520 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.222 COC(=O)C1=C(O)C=CC=N1 AJ-333/25006091 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.222 COC(=O)C1=C(S)N=CC=C1 AJ-333/25022067 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.222 COC(=O)C1=CC=CN=C1Cl AN-584/42206200 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.59 COC(=O)C1=C(OC)C=CS1 AI-942/25034447 [0,1,0,0,1,0|2,0,0]=4 52 B13R1.380 CCOC1=C(NC(C)=O)C=CC=N1 AC-907/25004946 [0,1,0,0,0,1|1,0,0]=3 53 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 AR-438/40240582 [0,0,0,1,0,1|2,0,0]=4 54 B13R2.162 O=C1CCCC2=C1C=C(Cl)C=C2 AJ-333/36117022 [0,1,0,1,0,0|2,0,0]=4 55 B13R2.5179 O=C1CCCC2=C1C=CC(Br)=C2 AR-362/43508509 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=C2 AR-362/43519171 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.14 COC1=C(C=O)SC=C1 AI-942/42301781 [1,0,0,0,1,0|2,0,0]=4 58 B9R1.41 CC(=O)C1=C(I)C=CS1 AI-942/25034172 [1,0,0,0,1,0|2,0,0]=4 59 B9R1.41 CC1=C(C(=O)O)C=CO1 AK-830/25033015 [1,0,0,0,1,0|2,0,0]=4 60 B9R1.41 CC1=C(C(=O)O)C=CS1 AI-942/25034218 [1,0,0,0,1,0|2,0,0]=4 61 B9R1.41 CC1=C(C(=O)O)OC=C1 AB-337/25021043 [1,0,0,0,1,0|2,0,0]=4