0 B7R1.4 CC1=C(C)NC=N1 AC-907/34124054 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 CC1=CC=NN1C AC-907/34116052 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 CN1C=CN=C1I AG-777/25006424 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 CN1C=CN=C1N AE-848/31013002 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 CN1C=NC=C1Cl AA-516/30012007 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 BrC1=CN=CN1 AC-907/34115001 [1,0,0,0,0,0|3,0,0]=4 6 B6R1.2 BrC1=CNN=C1 AC-907/25014004 [1,0,0,0,0,0|3,0,0]=4 7 B6R1.2 BrC1=NNC=C1 AC-907/30002001 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 CC1=CN=CN1 AL-398/25017073 [1,0,0,0,0,0|2,0,0]=3 9 B6R1.2 ClC1=CNC=N1 AE-562/43286932 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 ClC1=CNN=C1 AK-968/37166380 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 IC1=CC=NN1 AE-562/12222298 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 IC1=CNN=C1 AE-641/00647033 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 NC1=NC=CN1 AL-398/25017027 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 NC1=NC=CO1 AN-584/43408342 [1,0,0,0,0,0|2,0,0]=3 15 B6R1.2 NC1=NC=CS1 AB-601/30915002 [1,0,0,0,0,0|2,1,0]=4 16 B6R1.2 O=C1NC=CN1 AK-564/25068002 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 SC1=NC=CN1 AP-836/41220351 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 SC1=NN=CN1 AG-690/11353437 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.11 CC1=CSC=C1C=O AI-942/25034206 [0,1,0,0,0,0|2,1,0]=4 20 B8R1.11 CN1C=CN=C1CCl AC-907/25004454 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.11 CN1C=CN=C1CO AE-848/30896059 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.11 N#CC1=C(N)SC=C1 AE-641/30110042 [0,1,0,0,0,0|2,1,0]=4 23 B8R1.11 O=CC1=C(I)C=CS1 AI-942/25121040 [0,1,0,0,0,0|1,1,1]=4 24 B8R1.11 O=CC1=C(I)SC=C1 AI-942/25121041 [0,1,0,0,0,0|1,2,0]=4 25 B8R1.18 BrC1=C(I)C=C(I)S1 AI-942/25121007 [0,1,0,0,0,0|2,1,0]=4 26 B8R1.18 BrC1=CC(I)=C(I)S1 AI-942/25121006 [0,1,0,0,0,0|2,1,0]=4 27 B8R1.18 CC1=C(C)SC(=S)N1 AB-601/30915016 [0,1,0,0,0,0|2,1,0]=4 28 B8R1.50 CC1=NNC(C)=C1Br AF-961/00496011 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.50 CC1=NNC(C)=C1I AH-034/06267052 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.50 CC1=NOC(C)=C1I AE-848/05787011 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.4 BrC1=CC=NC(Br)=C1 AC-907/25004342 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.4 BrC1=NC=CC(I)=C1 AF-399/40658937 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.4 CC1=CC=CC(=O)N1 AE-646/31214032 [0,0,0,0,0,1|1,1,0]=3 34 B8R1.4 CC1=CC=CC(C)=N1 AC-907/25014177 [0,0,0,0,0,1|2,0,0]=3 35 B8R1.4 CC1=CC=C[N+]([O-])=C1 AC-907/34117036 [0,0,0,0,0,1|2,1,0]=4 36 B8R1.4 CC1=CC=NC(N)=C1 AC-907/25014131 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.4 CC1=NC(N)=CC=N1 AG-690/33373005 [0,0,0,0,0,1|2,0,0]=3 38 B8R1.4 CC1=NC(O)=NC=C1 AC-907/30003036 [0,0,0,0,0,1|2,1,0]=4 39 B8R1.4 CC1=NC=CC(Br)=C1 AN-584/43413320 [0,0,0,0,0,1|2,0,0]=3 40 B8R1.4 CC1=NC=NC(O)=C1 AC-907/30003034 [0,0,0,0,0,1|2,1,0]=4 41 B8R1.4 C[N+]1=CC=CC(Cl)=C1 AC-907/25004544 [0,0,0,0,0,1|3,0,0]=4 42 B8R1.4 C[N+]1=CC=CC(N)=C1 AB-323/25048193 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.4 ClC1=CC=CC(Cl)=N1 AC-907/25014035 [0,0,0,0,0,1|3,0,0]=4 44 B8R1.4 NC1=CC(Br)=CC=N1 AC-907/34116002 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.4 NC1=CC(Cl)=CC=N1 AF-399/42648911 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.4 NC1=CC(O)=CC=N1 AQ-776/40171296 [0,0,0,0,0,1|2,1,0]=4 47 B8R1.4 NC1=CC=CC(Br)=N1 AC-907/25000246 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.4 NC1=CC=CC(Cl)=N1 AC-907/25004401 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.4 NC1=CC=CC(N)=N1 AC-907/25014391 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.4 NC1=CC=CC(O)=N1 AJ-333/25006202 [0,0,0,0,0,1|2,1,0]=4 51 B8R1.4 NC1=CC=NC(Br)=C1 AC-907/30003013 [0,0,0,0,0,1|3,0,0]=4 52 B8R1.4 NC1=CC=NC(N)=C1 AC-907/34116042 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.4 NC1=NC(=O)C=CN1 AC-907/25004299 [0,0,0,0,0,1|2,1,0]=4 54 B8R1.4 NC1=NC(Cl)=NC=C1 AC-907/30002015 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.4 NC1=NC=CC(Cl)=N1 AC-907/30002014 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.4 OC1=CC(Br)=CC=N1 AC-907/25004371 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.4 OC1=CC=CC(Br)=N1 AC-907/25004373 [0,0,0,0,0,1|2,1,0]=4 58 B8R1.4 OC1=CC=NC(Cl)=C1 AC-907/34115048 [0,0,0,0,0,1|2,1,0]=4 59 B8R1.4 OC1=CC=NC(O)=C1 AC-907/25014063 [0,0,0,0,0,1|2,1,0]=4 60 B8R1.4 OC1=NC(O)=NC=C1 AC-907/30002021 [0,0,0,0,0,1|2,1,0]=4 61 B8R1.4 S=C1N=CC=C(S)N1 AB-323/25048186 [0,0,0,0,0,1|2,0,0]=3 62 B8R1.5 BrC1=C(Br)N=CC=C1 AC-907/25004341 [0,0,0,0,0,1|3,0,0]=4 63 B8R1.5 BrC1=CC=NC=C1Br AC-907/25004343 [0,0,0,0,0,1|3,0,0]=4 64 B8R1.5 CC1=C(Br)N=CC=C1 AC-907/30003020 [0,0,0,0,0,1|2,0,0]=3 65 B8R1.5 CC1=C(O)N=CC=N1 AC-907/34116029 [0,0,0,0,0,1|1,1,0]=3 66 B8R1.5 CC1=CC=CC=[N+]1C AC-907/25004712 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.5 CC1=CC=CC=[N+]1[O-] AC-907/25014127 [0,0,0,0,0,1|2,1,0]=4 68 B8R1.5 CC1=CC=NC=C1Br AC-907/25014109 [0,0,0,0,0,1|2,0,0]=3 69 B8R1.5 CC1=CC=NC=C1N AF-807/00322016 [0,0,0,0,0,1|2,0,0]=3 70 B8R1.5 CC1=CN=CC=C1N AC-907/34117051 [0,0,0,0,0,1|2,0,0]=3 71 B8R1.5 CC1=NC=CC=C1Br AN-584/43273903 [0,0,0,0,0,1|2,0,0]=3 72 B8R1.5 CC1=NC=CC=C1O AQ-344/40575762 [0,0,0,0,0,1|1,1,0]=3 73 B8R1.5 CN1C=CC=CC1=N AC-907/25004566 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.5 CN1C=CC=CC1=O AC-907/25014126 [0,0,0,0,0,1|2,1,0]=4 75 B8R1.5 CN1C=CC=NC1=O AC-907/30003031 [0,0,0,0,0,1|2,1,0]=4 76 B8R1.5 CN1C=NC=CC1=O AB-323/25048160 [0,0,0,0,0,1|2,1,0]=4 77 B8R1.5 ClC1=C(Br)C=CC=N1 AC-907/25004333 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.5 ClC1=C(Cl)N=CC=C1 AF-834/25002667 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.5 ClC1=C(I)C=CC=N1 AJ-333/25006075 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.5 NC1=C(Br)C=CC=N1 AC-907/34116001 [0,0,0,0,0,1|3,0,0]=4 81 B8R1.5 NC1=C(Br)C=NC=N1 AC-907/25004281 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.5 NC1=C(Br)N=CC=C1 AC-907/25004397 [0,0,0,0,0,1|3,0,0]=4 83 B8R1.5 NC1=C(Cl)N=CC=C1 AC-907/25014052 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.5 NC1=C(N)C=CC=C1 AC-907/25014349 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.5 NC1=C(N)N=CN=C1 AE-842/32231042 [0,0,0,0,0,1|3,0,0]=4 86 B8R1.5 NC1=C(O)N=CC=C1 AE-641/00363028 [0,0,0,0,0,1|2,1,0]=4 87 B8R1.5 NC1=CC=CN=C1N AC-907/25014077 [0,0,0,0,0,1|3,0,0]=4 88 B8R1.5 NC1=CC=NC=C1Br AC-907/30003014 [0,0,0,0,0,1|3,0,0]=4 89 B8R1.5 NC1=CC=NC=C1Cl AF-807/00322024 [0,0,0,0,0,1|3,0,0]=4 90 B8R1.5 NC1=CC=NC=C1N AC-907/34116043 [0,0,0,0,0,1|3,0,0]=4 91 B8R1.5 NC1=CN=CC=C1Cl AC-907/25005560 [0,0,0,0,0,1|3,0,0]=4 92 B8R1.5 NC1=CN=CC=C1O AC-907/25004436 [0,0,0,0,0,1|2,1,0]=4 93 B8R1.5 NC1=NC=CC=C1Cl AF-399/40963070 [0,0,0,0,0,1|3,0,0]=4 94 B8R1.5 O=C1NC=CC=C1Br AG-690/03080022 [0,0,0,0,0,1|2,1,0]=4 95 B8R1.5 OC1=C(Br)N=CC=C1 AC-907/30002046 [0,0,0,0,0,1|2,1,0]=4 96 B8R1.5 OC1=C(Cl)C=CC=N1 AC-907/34115049 [0,0,0,0,0,1|2,1,0]=4 97 B8R1.5 OC1=C(I)N=CC=C1 AC-907/30003006 [0,0,0,0,0,1|2,1,0]=4 98 B8R1.5 OC1=C(O)C=CC=C1 AB-131/40235236 [0,0,0,0,0,1|2,1,0]=4 99 B8R1.5 OC1=C(O)N=CC=C1 AC-907/25014062 [0,0,0,0,0,1|2,1,0]=4 100 B8R1.5 OC1=CC=NC=C1I AC-907/30003007 [0,0,0,0,0,1|2,1,0]=4 101 B8R1.5 OC1=NC=NC=C1Br AC-907/30002009 [0,0,0,0,0,1|3,0,0]=4 102 B5R0.1 C\C(N)=C/C=O AJ-333/25022116 [1,0,1,0,0,0|1,0,1]=4 103 B5R1.1 C1=CNN=C1 AC-907/25014006 [2,0,0,0,0,0|2,0,0]=4 104 B5R1.1 C1=COC=N1 AA-511/25015522 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.2 CO\C(C)=C/C(=O)O AJ-087/25124015 [0,1,1,0,0,0|2,0,0]=4 106 B7R0.4 C\C=C\C=C\C(=O)O AN-651/40229308 [0,1,1,0,0,0|1,1,0]=4 107 B7R1.1 CNC1=NC=CS1 AN-584/41682965 [1,1,0,0,0,0|1,1,0]=4 108 B7R1.1 O=CC1=CNC=C1 AC-776/25122024 [1,1,0,0,0,0|1,1,0]=4 109 B7R1.1 OCC1=CN=CN1 AB-131/25126047 [1,1,0,0,0,0|2,0,0]=4 110 B7R1.1 OCC1=COC=C1 AE-641/00180028 [1,1,0,0,0,0|0,1,0]=3 111 B7R1.1 OCC1=NC=CN1 AR-527/43293956 [1,1,0,0,0,0|2,0,0]=4 112 B7R1.2 CC1=CC(C)=NN1 AE-848/32586026 [1,1,0,0,0,0|2,0,0]=4 113 B7R1.2 CC1=CNC(C)=N1 AC-907/25014081 [1,1,0,0,0,0|2,0,0]=4 114 B7R1.2 CC1=CNC(S)=N1 AP-836/33429062 [1,1,0,0,0,0|2,0,0]=4 115 B7R1.2 CC1=CSC(=S)N1 AB-601/30915006 [1,1,0,0,0,0|2,0,0]=4 116 B7R1.2 CC1=NNC(Cl)=C1 AC-907/25004293 [1,1,0,0,0,0|2,0,0]=4 117 B7R1.2 IC1=CC=C(I)S1 AI-942/42301759 [1,1,0,0,0,0|1,1,0]=4 118 B9R1.2 CC1=NC(C#N)=CC=C1 AK-830/25033026 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.2 CNC1=CC=CC(Cl)=N1 AC-907/25004545 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.2 CNC1=NC(Br)=CC=C1 AN-584/43416474 [0,1,0,0,0,1|2,0,0]=4 121 B9R1.2 CSC1=NC=CC(C)=N1 AR-527/42979548 [0,1,0,0,0,1|2,0,0]=4 122 B9R1.2 CSC1=NC=CC(O)=N1 AB-323/25048187 [0,1,0,0,0,1|1,1,0]=4 123 B9R1.2 NCC1=CC(Br)=CC=C1 AE-562/11384036 [0,1,0,0,0,1|2,0,0]=4 124 B9R1.3 CC1=C(O)C(=S)C=CO1 AJ-797/37154018 [0,1,0,0,0,1|0,0,1]=3 125 B9R1.3 CC1=CC=CC(C)=C1O AB-131/40171179 [0,1,0,0,0,1|2,0,0]=4 126 B9R1.3 CC1=CC=CC(C)=[N+]1C AC-907/25004824 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.3 CC1=CC=CC(N)=[N+]1[O-] AE-842/32999054 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.34 CC1=CC(=O)NC(C)=C1 AN-584/40195566 [0,1,0,0,0,1|1,1,0]=4 129 B9R1.34 CC1=CC(=S)C=C(C)O1 AO-801/33291061 [0,1,0,0,0,1|0,0,1]=3 130 B9R1.34 CC1=CC(Br)=CC(C)=N1 AC-907/34118036 [0,1,0,0,0,1|2,0,0]=4 131 B9R1.34 CC1=CC(Br)=NC(C)=N1 AN-584/43408156 [0,1,0,0,0,1|2,0,0]=4 132 B9R1.34 CC1=CC(C)=NC(C)=N1 AC-907/25004715 [0,1,0,0,0,1|2,0,0]=4 133 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 AN-584/42118738 [0,1,0,0,0,1|2,0,0]=4 134 B9R1.34 CC1=CC(N)=CC(C)=N1 AC-907/34119009 [0,1,0,0,0,1|2,0,0]=4 135 B9R1.34 CC1=CC(N)=NC(S)=N1 AN-584/42206192 [0,1,0,0,0,1|2,0,0]=4 136 B9R1.34 CC1=CC(O)=CC(=O)N1 AB-337/25021037 [0,1,0,0,0,1|1,1,0]=4 137 B9R1.34 CC1=CC(S)=NC(O)=N1 AB-323/25048184 [0,1,0,0,0,1|2,0,0]=4 138 B9R1.34 CC1=NC(C)=NC(Cl)=C1 AC-907/25004546 [0,1,0,0,0,1|2,0,0]=4 139 B9R1.34 CC1=NC(C)=NC(N)=C1 AI-942/40171331 [0,1,0,0,0,1|2,0,0]=4 140 B9R1.34 CC1=NC(C)=NC(O)=C1 AC-907/25014137 [0,1,0,0,0,1|1,1,0]=4 141 B9R1.34 CC1=NC(N)=CC(N)=N1 AG-670/32485056 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.34 CC1=NC(N)=CC(O)=N1 AB-323/25048060 [0,1,0,0,0,1|1,1,0]=4 143 B9R1.34 CC1=NC(O)=CC(=O)N1 AC-907/25014073 [0,1,0,0,0,1|1,1,0]=4 144 B9R1.34 CC1=NC(O)=CC(Cl)=N1 AP-501/43400472 [0,1,0,0,0,1|1,1,0]=4 145 B9R1.34 CC1=NC(S)=NC(O)=C1 AC-907/30003038 [0,1,0,0,0,1|2,0,0]=4 146 B9R1.69 CC1=C(Br)C=CC(N)=N1 AC-907/30003055 [0,1,0,0,0,1|2,0,0]=4 147 B9R1.69 CC1=C(N)C=CC(Br)=C1 AE-562/43306593 [0,1,0,0,0,1|2,0,0]=4 148 B9R1.69 CC1=C(O)C=CC(Br)=C1 AN-329/40925146 [0,1,0,0,0,1|2,0,0]=4 149 B9R1.69 CC1=CC(I)=CC=C1N AE-641/01196008 [0,1,0,0,0,1|2,0,0]=4 150 B9R1.69 CC1=CC(N)=C(N)C=C1 AC-907/25014184 [0,1,0,0,0,1|2,0,0]=4 151 B9R1.69 CC1=CC=C(C)C(C)=N1 AO-801/41077394 [0,1,0,0,0,1|2,0,0]=4 152 B9R1.69 CC1=CC=C(O)C(Br)=N1 AN-584/43294053 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.69 CC1=CC=C(O)C(Cl)=N1 AN-584/43303031 [0,1,0,0,0,1|2,0,0]=4 154 B9R1.69 CC1=CC=C(O)C(I)=N1 AN-584/43294056 [0,1,0,0,0,1|2,0,0]=4 155 B9R1.69 CC1=CC=C(O)C(N)=N1 AP-501/43408347 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.69 CC1=NC(C)=C(Br)C=C1 AC-907/34118035 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.69 CC1=NC(C)=C(N)C=C1 AJ-333/36120002 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.15 CC1=C(C#N)C=CN=C1 AN-584/42118740 [0,1,0,0,0,1|2,0,0]=4 159 B9R1.15 CC1=C(CN)C=CC=C1 AP-770/40653937 [0,1,0,0,0,1|2,0,0]=4 160 B9R1.15 CC1=CC=CN=C1C#N AN-584/42118739 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.15 CC1=CC=NC=C1C#N AC-907/25004626 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.15 CCC1=C(C)C=CN=C1 AO-801/41077436 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.15 CNC1=C(Cl)N=CC=C1 AC-907/34117030 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.15 NC1=CC=CC=C1CO AC-907/25014178 [0,1,0,0,0,1|2,0,0]=4 165 B9R1.15 OCC1=C(Cl)C=CC=C1 AC-509/25001981 [0,1,0,0,0,1|2,0,0]=4 166 B9R1.15 OCC1=C(O)C=CC=N1 AJ-333/25006072 [0,1,0,0,0,1|1,1,0]=4 167 B9R1.14 CSC1=C[Se]C=C1SC AI-942/25034291 [0,2,0,0,0,0|2,0,0]=4 168 B9R1.22 CC1=CC(C=O)=C(C)N1 AA-516/30054053 [0,2,0,0,0,0|1,1,0]=4 169 B9R1.27 CC1=NOC(C)=C1CCl AM-970/41069463 [0,2,0,0,0,0|2,0,0]=4 170 B9R1.33 CSCC1=C(C)NC=N1 AL-398/25017025 [0,2,0,0,0,0|2,0,0]=4 171 B9R1.41 CC(=O)C1=C(I)C=CS1 AI-942/25034172 [0,2,0,0,0,0|1,1,0]=4 172 B9R1.41 CC1=C(C(=O)O)C=CO1 AK-830/25033015 [0,2,0,0,0,0|0,1,0]=3 173 B9R1.41 CC1=C(C(=O)O)C=CS1 AI-942/25034218 [0,2,0,0,0,0|0,2,0]=4 174 B9R1.41 CC1=C(C(=O)O)OC=C1 AB-337/25021043 [0,2,0,0,0,0|1,0,1]=4 175 B9R1.41 CC1=C([N+](=O)[O-])C=CS1 AI-942/25034066 [0,2,0,0,0,0|0,2,0]=4 176 B9R1.41 O=C(O)C1=C(Br)C=CO1 AI-942/25121026 [0,2,0,0,0,0|1,0,1]=4 177 B9R1.23 CC1=C(Br)C=C(C=O)S1 AN-584/11663464 [0,2,0,0,0,0|1,1,0]=4 178 B9R1.37 CC1=C(I)C(I)=C(C)S1 AK-173/11848003 [0,2,0,0,0,0|1,1,0]=4 179 B9R2.3 C1=CC2=C(C=CS2)S1 AI-942/25034154 [0,1,0,1,0,0|0,1,1]=4