0 B10R1.20 COC1=C(C#N)N=CC=N1 AQ-917/42753965 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 ClCC1=C(CCl)C=CC=C1 AC-509/25002089 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.20 N#CC1=CC=CC=C1CCl AC-907/25004765 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CC1=C(C#N)C=CN=C1 AN-584/42118740 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.15 CC1=C(CN)C=CC=C1 AP-770/40653937 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.15 CC1=CC=CN=C1C#N AN-584/42118739 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.15 CC1=CC=NC=C1C#N AC-907/25004626 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 CCC1=C(C)C=CN=C1 AO-801/41077436 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.15 CNC1=C(Cl)N=CC=C1 AC-907/34117030 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.15 COC1=C(Cl)N=CN=C1 AN-584/42206186 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 COC1=CC=NNC1=O AM-944/40947510 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.15 COC1=CN=CNC1=O AC-907/30003042 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.15 N#CC1=C(I)C=CC=C1 AE-641/03255019 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 N#CC1=CC=CC=C1Br AC-907/25014151 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 NC1=CC=CC=C1CO AC-907/25014178 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 OCC1=C(Cl)C=CC=C1 AC-509/25001981 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 OCC1=C(O)C=CC=N1 AJ-333/25006072 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.37 COC1=C(OC)C=C(N)C=C1 AC-907/25014217 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.37 COC1=C(OC)C=C(O)C=C1 AE-508/42302277 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.37 COC1=CC=C(Br)C=C1C=O AD-266/40988996 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.41 BrCCC1=C(CBr)C=CC=C1 AB-131/40897156 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.41 COC1=C(CC#N)C=CC=C1 AK-087/40365554 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.53 CC(=O)C1=CC=CC=C1C#N AE-562/43459667 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.53 CCC1=CC=CC=C1C(=O)O AE-562/43460169 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 AP-065/40180106 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.53 CNC1=C([N+](=O)[O-])C=CC=C1 AE-562/40288729 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.53 COC1=CC=CC=C1C(=O)O AQ-344/40173719 [0,1,0,0,0,0|2,0,0]=3 27 B11R2.1 CC1=CNC2=C1C=CC=C2 AP-065/40182778 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.14 COC1=C(C=O)SC=C1 AI-942/42301781 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.14 CSC1=C[Se]C=C1SC AI-942/25034291 [0,0,0,0,1,0|1,2,0]=4 30 B8R1.2 CNC1=CC=NC=C1 AE-842/30373017 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 COC1=CC=NC=C1 AC-907/25004551 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.2 COC1=NC=CC=N1 AC-907/25004440 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.5 CC1=C(Br)N=CC=C1 AC-907/30003020 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.5 CC1=C(O)N=CC=N1 AC-907/34116029 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.5 CC1=CC=CC=[N+]1C AC-907/25004712 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.5 CC1=CC=CC=[N+]1[O-] AC-907/25014127 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.5 CC1=CC=NC=C1Br AC-907/25014109 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.5 CC1=CC=NC=C1N AF-807/00322016 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.5 CC1=CN=CC=C1N AC-907/34117051 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.5 CC1=NC=CC=C1Br AN-584/43273903 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.5 CC1=NC=CC=C1O AQ-344/40575762 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.5 CN1C=CC=CC1=N AC-907/25004566 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 CN1C=CC=CC1=O AC-907/25014126 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.5 NC1=C(N)C=CC=C1 AC-907/25014349 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.5 NC1=C(O)N=CC=C1 AE-641/00363028 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.5 NC1=CN=CC=C1O AC-907/25004436 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.5 O=C1C=CC=CN1O AC-907/25004409 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.5 OC1=C(Br)N=CC=C1 AC-907/30002046 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 OC1=C(Cl)C=CC=N1 AC-907/34115049 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 OC1=C(I)N=CC=C1 AC-907/30003006 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.5 OC1=C(O)C=CC=C1 AB-131/40235236 [2,0,0,0,0,0|0,0,0]=2 52 B8R1.5 OC1=C(O)N=CC=C1 AC-907/25014062 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.5 OC1=CC=NC=C1I AC-907/30003007 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 [O-][N+]1=CC=CC=C1O AC-907/25014064 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.2 COC1=C(Cl)C(N)=CC=C1 AN-584/40152017 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.2 COC1=C(N)C(Cl)=CC=C1 AN-584/43422706 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.2 O=CC1=CC=CC(O)=C1O AE-641/30608014 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.4 CC1=C(NC=O)C=CC=C1 AB-131/41338123 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.4 CCOC1=C(Br)C=CC=N1 AC-907/25004665 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.4 CCOC1=C(N)N=CC=C1 AF-807/00322014 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.4 CCOC1=NC=CC=C1Cl AN-584/42206191 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.25 CC1=C(C#N)C=CC(N)=C1 AE-562/43286977 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.25 COC1=C(Br)N=C(C)C=C1 AN-584/11435654 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.25 COC1=CC=C(C)N=C1Cl AN-584/43303032 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.25 COC1=CC=C(C)N=C1I AN-584/43294057 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.25 COC1=CC=C(C)N=C1N AP-501/43408348 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.25 COC1=CC=C(N)C=C1Br AF-962/00506056 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.25 COC1=CN=C(O)N=C1O AO-324/25087001 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.25 O=CC1=CC=C(O)C=C1O AP-065/40195541 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.30 CC1=CC=C(O)C(CO)=C1 AE-562/43461492 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.30 COC1=C(N)C=CC(Br)=C1 AN-584/11607260 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.30 COC1=CC(Cl)=CC=C1N AN-584/43422715 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.30 N#CC1=CC(N)=CC=C1O AC-907/34118026 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 AC-907/34104064 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.61 CC1=C(C(=O)O)C=CC=C1 AB-131/40195545 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.61 CC1=C(C(N)=O)C=CC=C1 AE-508/40403814 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.61 CC1=C(C(N)=S)C=CC=C1 AB-131/41020567 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.61 CN(C)C1=CC=CC=C1O AE-562/43286985 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.61 NC(=O)C1=C(O)C=CC=C1 AH-034/32461056 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 AB-131/40228446 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.245 CC1=CC=CC(C)=C1C#N AE-641/00671031 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.245 O=CC1=C(Cl)C=CC=C1O AC-907/34118020 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.46 COC1=C([N+](=O)[O-])C=C(Br)C=C1 AN-584/43409808 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.46 COC1=C([N+](=O)[O-])C=C(N)C=C1 AO-801/41077431 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.46 COC1=CC=C(C)C=C1[N+](=O)[O-] AJ-797/43492807 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 AQ-358/40233645 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.57 COC1=CC(Br)=CC=C1[N+](=O)[O-] AN-584/43409810 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.57 COC1=CC(Cl)=CC=C1[N+](=O)[O-] AF-962/00506059 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 AP-065/41884102 [0,2,0,0,0,0|0,0,0]=2 90 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 AH-034/32845024 [0,2,0,0,0,0|0,0,0]=2 91 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 AP-065/40232714 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 AK-087/40243220 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.78 COC1=CC=C(OC)C(CCl)=C1 AC-907/25125013 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.112 CCOC1=CC=C(O)C=C1OC AE-562/43461499 [0,2,0,0,0,0|0,0,0]=2 95 B12R1.652 COC1=CC=C(Br)C(C)=C1OC AE-562/12222516 [0,2,0,0,0,0|0,0,0]=2 96 B12R1.75 CCC1=CC=CC=C1NC(C)=O AE-562/40326597 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.75 COC1=CC=CC=C1NC(C)=O AE-641/00783050 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.75 COC1=CC=CC=C1NC(N)=O AR-360/40768909 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 AE-562/40238261 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.77 COC(=O)C1=C(SC)N=CC=C1 AJ-333/25006178 [0,2,0,0,0,0|1,1,0]=4 101 B12R1.76 CCC1=CC=CC=C1C(C)(C)O AE-562/43286906 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.87 COC1=C(Br)C=CC=C1[N+](=O)[O-] AN-584/43409814 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.87 COC1=C([N+](=O)[O-])C=CC=C1Cl AN-584/43342874 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.437 COC1=CC=CC(C)=C1[N+](=O)O AR-362/43519166 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.437 COC1=CC=CC(Cl)=C1[N+](=O)[O-] AN-584/43422713 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.1879 COC1=C(OC)C(CO)=CC=C1 AP-065/41950909 [0,2,0,0,0,0|0,0,0]=2 107 B10R2.7 C1=CC2=C(C=C1)NCC2 AG-690/11351758 [1,0,0,1,0,0|1,0,0]=3 108 B12R2.24 O=C1COC2=CC=CC=C2N1 AE-473/30224032 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AB-131/40347218 [0,1,0,1,0,0|1,0,0]=3 110 B12R2.1081 OC1=CC=CC2=C1NCCC2 AF-399/25108090 [0,1,0,1,0,0|2,0,0]=4