0 B10R1.18 CC(=O)NC1=CC=CC=C1 AH-034/32461060 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)NC1=CC=CC=N1 AH-283/32233018 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(=O)NC1=CN=CC=C1 AC-907/25004679 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(=S)NC1=CC=CC=C1 AQ-012/40221353 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(C)CC1=CC=NC=C1 AO-801/41077396 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 C[N+]([O-])=CC1=CC=CC=C1 AN-068/40233748 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [1,0,0,0,0,0|2,0,0]=3 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 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 AG-205/03191041 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 AH-034/32844007 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 AE-562/40197438 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AH-034/05420003 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 AC-509/25002068 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.20 CC1=CC=C(OC(N)=S)C=C1 AL-398/25017029 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AE-562/43286955 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AR-360/40260054 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 NC(=O)NC1=CC=C(I)C=C1 AE-848/33822044 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 AF-399/25108015 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 AE-508/40191188 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 AH-034/32462009 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AE-641/00136032 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 AM-814/41090691 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 AD-266/40232951 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 AC-907/25014212 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 AI-942/25034561 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 AE-562/40233036 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.40 CSC(=S)CN1=CC=CC=C1 AA-516/25012082 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.40 C\C(=N\O)NC1=CC=CC=C1 AC-907/34120003 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.40 NNC(=O)CC1=CC=CC=C1 AN-068/40177140 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 AE-562/40169431 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 AG-996/01589028 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.86 CC(=O)NC1=CC=CC=C1Br AI-942/04429053 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.86 CC(=O)NC1=CC=CC=C1N AE-641/00627026 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 AC-509/25002066 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 AR-360/41705362 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 AP-381/41075529 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.157 CC(=O)NC1=CC(Cl)=CC=C1 AQ-012/40326599 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 AE-562/43245133 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 AE-562/40191150 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.157 CN(C)CC1=CC=CC(I)=C1 AE-562/43460444 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.157 NC(=O)CC1=CC=CC(F)=C1 AE-562/43460575 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 AE-562/43460501 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 AC-509/25001994 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 AC-509/25002041 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AE-562/43460499 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AE-562/43460505 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 AE-562/43460507 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.509 CC(C)(C)OC1=CN=CC=C1 AC-907/25004950 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 AE-646/31214013 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 AL-398/25017056 [0,1,0,0,0,0|3,0,0]=4 52 B11R2.10 CC1=NC2=C(C=CC=C2)N1 AE-641/30396016 [0,0,0,1,0,0|1,0,1]=3 53 B11R2.10 NC1=NC2=C(C=CC=C2)N1 AQ-738/40188880 [0,0,0,1,0,0|2,0,1]=4 54 B11R2.10 NC1=NC2=C(C=CC=C2)S1 AE-848/01007013 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AH-034/32845032 [0,0,0,1,0,0|1,0,1]=3 56 B11R2.10 O=C1NC2=C(C=CC=C2)N1 AF-834/25000580 [0,0,0,1,0,0|2,0,1]=4 57 B11R2.10 O=C1NC2=C(C=CC=C2)O1 AG-996/01589042 [0,0,0,1,0,0|2,0,1]=4 58 B11R2.10 SC1=NC2=C(C=CC=C2)N1 AH-034/32845023 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.6 CC(=O)C1=CN=CC=C1 AE-641/00369001 [0,0,0,0,1,0|2,0,1]=4 60 B9R1.6 CN(C)C1=CC=NC=C1 AR-360/40355729 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.6 CN(C)C1=CN=CC=C1 AF-807/00322051 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.6 N=C(N)C1=CC=CC=C1 AE-641/30119009 [0,0,0,0,1,0|1,0,1]=3 63 B9R1.6 NC(=O)C1=CN=CC=C1 AC-907/25014114 [0,0,0,0,1,0|2,0,1]=4 64 B9R1.6 NC(=S)C1=CC=CC=C1 AO-840/40187641 [0,0,0,0,1,0|1,0,1]=3 65 B9R1.13 CN(C)C=C1C=CC=C1 AO-840/40768031 [0,0,0,0,1,0|2,0,1]=4 66 B11R1.91 N=C(N)CCC1=CC=CC=C1 AE-477/40437168 [0,0,0,0,0,1|1,0,1]=3 67 B11R1.91 N=C(N)SCC1=CC=CC=C1 AC-907/25004812 [0,0,0,0,0,1|1,0,1]=3 68 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-907/25014208 [0,0,0,0,0,1|2,0,1]=4 69 B11R1.91 O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [0,0,0,0,0,1|2,0,1]=4 70 B8R1.2 CNC1=CC=NC=C1 AE-842/30373017 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 COC1=CC=NC=C1 AC-907/25004551 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 OCC1=CC=CC=N1 AE-641/00340018 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.1 CC1=CC=C(CCN)C=C1 AE-562/42006047 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.1 CCOC1=CC=C(Br)C=N1 AC-907/25004667 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.1 N#CCC1=CC=C(O)C=C1 AE-562/40164564 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.4 CCOC1=C(Br)C=CC=N1 AC-907/25004665 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.4 CCOC1=C(N)N=CC=C1 AF-807/00322014 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 CCOC1=NC=CC=C1Cl AN-584/42206191 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.10 CCOC1=CC(Br)=CN=C1 AC-907/25004452 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.10 CCOC1=CC(N)=CC=N1 AC-907/34119014 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.10 CCOC1=CC=NC(Br)=C1 AC-907/25004669 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.10 CCOC1=CC=NC(Cl)=C1 AC-907/25004672 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 CCOC1=CC=NC(N)=C1 AC-907/34124050 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.10 CCOC1=CN=CC(O)=C1 AE-842/00015017 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.10 CCOC1=NC(Br)=CC=C1 AC-907/25005382 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.15 CNC(=O)C1=CC=CC=C1 AP-065/40250235 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-907/25014200 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.17 N#CSCC1=CC=CC=C1 AJ-087/40225997 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.17 OCCNC1=CC=CC=N1 AE-641/00646003 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC-907/25014209 [0,1,0,0,1,0|1,0,1]=4 91 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AB-131/40179700 [0,1,0,0,1,0|1,0,1]=4 92 B10R1.13 CC(C)C1=CC=C(O)C=C1 AE-562/43459027 [0,1,0,0,1,0|1,0,0]=3 93 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 AB-131/40227926 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.13 CN(C)C1=CC=C(Br)C=C1 AC-509/25001966 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.13 CN(C)C1=CC=C(F)C=C1 AE-562/43460418 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.13 CN(C)C1=CC=C(O)C=C1 AE-562/43286954 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AE-562/42287617 [0,1,0,0,1,0|1,0,1]=4 98 B10R1.13 NC(=O)C1=CC=C(O)C=C1 AE-562/40219003 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.28 CC(C)(O)C1=CN=CC=C1 AE-641/00188013 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.28 CC(C)(O)C1=NC=CC=C1 AE-641/00188027 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 AQ-917/40869743 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 AB-131/40262287 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.61 CC1=C(C(N)=O)C=CC=C1 AE-508/40403814 [0,1,0,0,1,0|1,0,1]=4 104 B10R1.61 CC1=C(C(N)=S)C=CC=C1 AB-131/41020567 [0,1,0,0,1,0|1,0,1]=4 105 B10R1.61 CN(C)C1=CC=CC=C1O AE-562/43286985 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.61 NC(=O)C1=C(O)C=CC=C1 AH-034/32461056 [0,1,0,0,1,0|1,0,1]=4 107 B10R1.61 NC(=O)C1=CC=CC=C1Cl AJ-333/25022002 [0,1,0,0,1,0|1,0,1]=4 108 B10R1.113 CC(=O)C1=CC=CC(O)=C1 AE-562/41047023 [0,1,0,0,1,0|1,0,1]=4 109 B10R1.113 CC(O)C1=CC=C[N+]([O-])=C1 AP-123/42300627 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.113 CC1=CC=CC(C(N)=S)=C1 AB-131/42301722 [0,1,0,0,1,0|1,0,1]=4 111 B10R1.113 CS(=O)C1=CC=CC(N)=C1 AN-584/43201061 [0,1,0,0,1,0|2,0,0]=4 112 B10R1.113 C[C@@H](N)C1=CC(N)=CC=C1 AN-584/42259924 [0,1,0,0,1,0|0,0,0]=2 113 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 AC-907/41484593 [0,1,0,0,1,0|1,0,1]=4 114 B10R1.113 NC(=O)C1=CC(O)=CC=C1 AE-562/40219001 [0,1,0,0,1,0|1,0,1]=4 115 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AE-473/30684056 [0,1,0,0,0,1|1,0,1]=4 116 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 AA-516/30035027 [0,1,0,0,0,1|1,0,1]=4 117 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 AE-562/43460369 [0,1,0,0,0,1|1,0,1]=4 118 B12R1.27 COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [0,1,0,0,0,1|1,0,1]=4 119 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 AP-782/40197370 [0,1,0,0,0,1|1,0,1]=4 120 B12R1.106 CC(C)(C)NC1=CC=C(N)C=C1 AE-562/43459607 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 AN-068/40184273 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.564 CC(C)(C)C(O)C1=CC=CC=C1 AB-131/40234506 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.32 CCOC(=N)CC1=CC=CC=C1 AN-584/42206204 [0,2,0,0,0,0|0,0,2]=4 124 B12R1.119 CC(C)(C)NC1=CC=CC(N)=C1 AE-562/43461367 [0,2,0,0,0,0|2,0,0]=4 125 B10R2.7 C1=CC2=C(C=C1)NCC2 AG-690/11351758 [1,0,0,1,0,0|0,0,0]=2 126 B10R2.7 C1=CC2=C(C=C1)NN=C2 AC-907/25014165 [1,0,0,1,0,0|1,0,1]=4 127 B10R2.7 C1=CC2=C(C=C1)NN=N2 AC-907/34124039 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.24 NC1=NC2=C(C=CC=C2)SC1 AN-829/25042014 [0,0,0,1,0,1|1,0,1]=4 129 B12R2.24 O=C1COC2=CC=CC=C2N1 AE-473/30224032 [0,0,0,1,0,1|1,0,1]=4 130 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 AB-321/40172031 [0,0,0,1,0,1|1,0,1]=4 131 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 AR-683/41718240 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.18 CC1=C2C=CC=CC2=NN1N AK-830/25033045 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.18 OC1C2=CC=CC=C2CC1Br AP-406/41269981 [0,1,0,1,0,0|1,0,0]=3 134 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]=3 135 B12R2.32 CSC1=NC2=C(C=CC=C2)N1 AF-615/01049027 [0,1,0,1,0,0|1,0,1]=4 136 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 AN-068/25067013 [0,1,0,1,0,0|0,0,2]=4 137 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 AE-641/00568014 [0,1,0,1,0,0|1,0,1]=4 138 B12R1.252 NC(=O)NOCC1=CC=CC=C1 AF-399/25108016 [0,0,0,0,0,2|1,0,1]=4