0 B10R1.4 CC1=C(NC=O)C=CC=C1 AB-131/41338123 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 CCOC1=C(Br)C=CC=N1 AC-907/25004665 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.4 CCOC1=C(N)N=CC=C1 AF-807/00322014 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.4 CCOC1=NC=CC=C1Cl AN-584/42206191 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.4 N#CNC1=CC=CC=C1N AN-584/43414008 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.4 NC1=C(\C=N\O)C=CC=C1 AA-516/30035028 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 N#CC[N+]1=CC=CC=C1 AA-516/25012031 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.8 O=CNC1=CC=CC=C1 AR-360/40233696 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.15 CC1=C(CN)C=CC=C1 AP-770/40653937 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.15 CCC1=C(C)C=CN=C1 AO-801/41077436 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 CNC1=C(Cl)N=CC=C1 AC-907/34117030 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 N#CC1=C(I)C=CC=C1 AE-641/03255019 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.15 N#CC1=CC=CC=C1Br AC-907/25014151 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.15 NC1=CC=CC=C1CO AC-907/25014178 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 OCC1=C(Cl)C=CC=C1 AC-509/25001981 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 OCC1=C(O)C=CC=N1 AJ-333/25006072 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.13 N#CCC1=C(Cl)C(Cl)=CC=C1 AJ-087/41885659 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.17 CC1=C(OCCN)C=CC=C1 AE-641/00657056 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.17 N#CCNC1=CC=CC=C1N AC-907/25004797 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.41 BrCCC1=C(CBr)C=CC=C1 AB-131/40897156 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.41 COC1=C(CC#N)C=CC=C1 AK-087/40365554 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 AG-996/01589028 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 AC-509/25002066 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 AR-360/41705362 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 AP-381/41075529 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 AE-842/31980017 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.222 NNC(=O)C1=CC=CC=C1N AC-907/25014182 [0,1,0,0,0,0|2,0,1]=4 28 B11R2.10 NC1=NC2=C(C=CC=C2)N1 AQ-738/40188880 [0,0,0,1,0,0|2,0,1]=4 29 B11R2.10 NC1=NC2=C(C=CC=C2)S1 AE-848/01007013 [0,0,0,1,0,0|1,1,1]=4 30 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AH-034/32845032 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.10 O=C1NC2=C(C=CC=C2)O1 AG-996/01589042 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.106 NC1=C2CCCC2=CC=C1 AE-646/31213054 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.106 NC1=CC=CC2=C1N=CN2 AT-051/40231700 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.2 CNC1=CC=NC=C1 AE-842/30373017 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.2 COC1=CC=NC=C1 AC-907/25004551 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.2 OCC1=CC=CC=N1 AE-641/00340018 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.5 CC1=C(Br)N=CC=C1 AC-907/30003020 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.5 CC1=C(O)N=CC=N1 AC-907/34116029 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.5 CC1=CC=CC=[N+]1C AC-907/25004712 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.5 CC1=CC=CC=[N+]1[O-] AC-907/25014127 [2,0,0,0,0,0|1,0,1]=4 41 B8R1.5 CC1=CC=NC=C1Br AC-907/25014109 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.5 CC1=CC=NC=C1N AF-807/00322016 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 CC1=CN=CC=C1N AC-907/34117051 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.5 CC1=NC=CC=C1Br AN-584/43273903 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.5 CC1=NC=CC=C1O AQ-344/40575762 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.5 CN1C=CC=CC1=N AC-907/25004566 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.5 CN1C=CC=CC1=O AC-907/25014126 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.5 NC1=C(Br)C=CC=N1 AC-907/34116001 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 NC1=C(Br)N=CC=C1 AC-907/25004397 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 NC1=C(Cl)N=CC=C1 AC-907/25014052 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.5 NC1=C(N)C=CC=C1 AC-907/25014349 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.5 NC1=C(O)N=CC=C1 AE-641/00363028 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.5 NC1=CC=CC=[N+]1[O-] AE-842/30093005 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.5 NC1=CC=CN=C1N AC-907/25014077 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 NC1=CC=NC=C1Br AC-907/30003014 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 NC1=CC=NC=C1Cl AF-807/00322024 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 NC1=CC=NC=C1N AC-907/34116043 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 NC1=CN=CC=C1Cl AC-907/25005560 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 NC1=CN=CC=C1O AC-907/25004436 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.5 NC1=NC=CC=C1Cl AF-399/40963070 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.5 O=C1C=CC=CN1O AC-907/25004409 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.5 OC1=C(Br)N=CC=C1 AC-907/30002046 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.5 OC1=C(Cl)C=CC=N1 AC-907/34115049 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 OC1=C(I)N=CC=C1 AC-907/30003006 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 OC1=C(O)C=CC=C1 AB-131/40235236 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.5 OC1=C(O)N=CC=C1 AC-907/25014062 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 OC1=CC=NC=C1I AC-907/30003007 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 [O-][N+]1=CC=CC=C1O AC-907/25014064 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.1 CC1=CC=C(CCN)C=C1 AE-562/42006047 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.1 N#CCC1=CC=C(O)C=C1 AE-562/40164564 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-907/25014200 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.17 N#CSCC1=CC=CC=C1 AJ-087/40225997 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.17 OCCNC1=CC=CC=N1 AE-641/00646003 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.18 CC(C)CC1=CC=NC=C1 AO-801/41077396 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.2 COC1=C(Cl)C(N)=CC=C1 AN-584/40152017 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.2 COC1=C(N)C(Cl)=CC=C1 AN-584/43422706 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.2 O=CC1=CC=CC(O)=C1O AE-641/30608014 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.20 ClCC1=C(CCl)C=CC=C1 AC-509/25002089 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.20 N#CC1=CC=CC=C1CCl AC-907/25004765 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.25 COC1=CC=C(N)C=C1Br AF-962/00506056 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 NC1=CC=C(CO)C(Cl)=C1 AN-584/43417487 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.25 O=CC1=CC=C(O)C=C1O AP-065/40195541 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.30 CC1=CC=C(O)C(CO)=C1 AE-562/43461492 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.30 CC1=NC(CO)=C(O)C=C1 AJ-333/25022097 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.30 COC1=C(N)C=CC(Br)=C1 AN-584/11607260 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.30 COC1=CC(Cl)=CC=C1N AN-584/43422715 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.30 N#CC1=CC(N)=CC=C1O AC-907/34118026 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 AC-907/34104064 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.30 OCC1=C(I)C=CC(Cl)=C1 AE-641/25069012 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.61 CC1=C(C(N)=O)C=CC=C1 AE-508/40403814 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.61 CC1=C(C(N)=S)C=CC=C1 AB-131/41020567 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.61 CN(C)C1=CC=CC=C1O AE-562/43286985 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.61 NC(=O)C1=C(O)C=CC=C1 AH-034/32461056 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.61 NC(=O)C1=CC=CC=C1Cl AJ-333/25022002 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 AB-131/40228446 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.245 ClCC1=C(Br)C=CC=C1Br AC-907/25004614 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.245 O=CC1=C(Cl)C=CC=C1O AC-907/34118020 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.24 O=C(CCl)C1=CC=CC(O)=C1O AE-562/43458977 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.125 CC1=CC=CC=C1CCC(=O)O AE-562/43460471 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AJ-087/41885657 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.75 COC1=CC=CC=C1NC(N)=O AR-360/40768909 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.112 CCOC1=CC=C(O)C=C1OC AE-562/43461499 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.283 N#CCC1=CC=CC=C1C(=O)O AC-907/25004899 [0,2,0,0,0,0|0,0,2]=4 104 B12R1.1095 CC1=CC(C)=C(CCO)C(C)=C1 AE-641/00008046 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.1703 CCC(=O)C1=CC=C(O)C=C1O AE-562/40724473 [0,2,0,0,0,0|1,0,1]=4 106 B10R2.7 C1=CC2=C(C=C1)NCC2 AG-690/11351758 [1,0,0,1,0,0|0,0,0]=2 107 B10R2.7 C1=CC2=C(C=C1)NN=C2 AC-907/25014165 [1,0,0,1,0,0|1,0,1]=4 108 B10R2.7 C1=CC2=C(C=C1)NN=N2 AC-907/34124039 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AB-131/40347218 [0,1,0,1,0,0|1,0,1]=4 110 B12R2.1081 OC1=CC=CC2=C1NCCC2 AF-399/25108090 [0,1,0,1,0,0|1,0,0]=3 111 B12R2.24 NC1=NC2=C(C=CC=C2)SC1 AN-829/25042014 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.18 OC1C2=CC=CC=C2CC1Br AP-406/41269981 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@H]1Cl AC-082/25006749 [0,1,0,1,0,0|1,0,0]=3