0 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 ClCSC1=NC=CC=N1 AF-399/25108085 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 N#CC[N+]1=CC=CC=C1 AA-516/25012031 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 N#CSC1=CN=CC=N1 AC-907/34115041 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 N#CSC1=NC=CC=N1 AI-942/25121048 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.8 O=CNC1=CC=CC=C1 AR-360/40233696 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 O\N=C\C1=NC=CC=C1 AQ-405/40177765 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.2 CNC1=CC=NC=C1 AE-842/30373017 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 COC1=CC=NC=C1 AC-907/25004551 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 COC1=NC=CC=N1 AC-907/25004440 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.2 COC1=NN=CC=N1 AE-842/32231045 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.2 CSC1=NN=CC=N1 AC-907/34115025 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.2 NNC1=NC=CC=N1 AC-907/34123044 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 OCC1=CC=CC=N1 AE-641/00340018 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.1 CC1=CC=C(CCN)C=C1 AE-562/42006047 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.1 CCOC1=CC=C(Br)C=N1 AC-907/25004667 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.1 N#CCC1=CC=C(O)C=C1 AE-562/40164564 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.4 CCOC1=C(Br)C=CC=N1 AC-907/25004665 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.4 CCOC1=C(N)N=CC=C1 AF-807/00322014 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.4 CCOC1=NC=CC=C1Cl AN-584/42206191 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.10 CCOC1=CC(Br)=CN=C1 AC-907/25004452 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.10 CCOC1=CC(N)=CC=N1 AC-907/34119014 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.10 CCOC1=CC=NC(Br)=C1 AC-907/25004669 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.10 CCOC1=CC=NC(C)=N1 AC-907/34119015 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.10 CCOC1=CC=NC(Cl)=C1 AC-907/25004672 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.10 CCOC1=CC=NC(N)=C1 AC-907/34124050 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.10 CCOC1=CC=NC(O)=N1 AC-907/25004575 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.10 CCOC1=CC=NC([O-])=N1 AC-907/25004576 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.10 CCOC1=CN=CC(O)=C1 AE-842/00015017 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.10 CCOC1=NC(=O)CC=N1 AO-801/41077450 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.10 CCOC1=NC(Br)=CC=C1 AC-907/25005382 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.10 CCSC1=NC=CC(N)=N1 AB-323/25048159 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.10 CCSC1=NC=CC(O)=N1 AB-323/25048189 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.15 CNC(=O)C1=CC=CC=C1 AP-065/40250235 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.15 COC(=O)C1=CC=NC=N1 AC-907/25004532 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.15 COC(=O)C1=CN=CC=N1 AN-652/40184635 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.15 COC(=O)C1=NC=CC=N1 AI-942/25121077 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-907/25014200 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.15 O=C(CBr)C1=CC=CC=N1 AM-866/25016009 [0,1,0,0,0,0|1,0,1]=3 39 B10R1.17 N#CSCC1=CC=CC=C1 AJ-087/40225997 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.17 OCCNC1=CC=CC=N1 AE-641/00646003 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.18 CC(=O)NC1=CC=CC=C1 AH-034/32461060 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.18 CC(=O)NC1=CC=CC=N1 AH-283/32233018 [0,1,0,0,0,0|1,0,1]=3 43 B10R1.18 CC(=O)NC1=CN=CC=N1 AC-907/25004560 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.18 CC(=S)NC1=CC=CC=C1 AQ-012/40221353 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.18 CC(C)CC1=CC=NC=C1 AO-801/41077396 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.18 C[N+]([O-])=CC1=CC=CC=C1 AN-068/40233748 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.18 O=[N+]([O-])NC1=CC=CC=N1 AC-907/25005458 [0,1,0,0,0,0|3,0,0]=4 48 B10R2.7 C1=CC2=C(C=C1)NCC2 AG-690/11351758 [0,0,0,1,0,0|2,0,0]=3 49 B10R2.7 C1=CC2=C(C=C[Se]2)N=C1 AI-942/25034347 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.8 OCCC1=NC=CN1 AR-527/43293965 [0,0,0,0,1,0|2,0,0]=3 51 B7R1.3 C[N+]1=CC=CC=C1 AF-960/00443054 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.3 NC1=CC=CC=N1 AC-907/25014346 [2,0,0,0,0,0|1,0,0]=3 53 B7R1.3 NC1=CN=CC=N1 AC-907/25014024 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.3 OC1=CC=CC=N1 AC-907/25014059 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.3 OC1=CC=CN=N1 AC-907/30002019 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.3 OC1=CN=CC=N1 AC-907/25004286 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.3 OC1=NC=CC=N1 AB-323/25048086 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 OC1=NC=NC=C1 AC-907/30002018 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.3 [O-]C1=CN=CC=N1 AC-907/25004285 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 CCC1=CC=C(C)N=C1 AC-907/25014214 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.1 CCC1=CC=[N+]([O-])C=C1 AC-907/25004702 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.1 COC1=CC=C(Br)C=N1 AC-907/25004518 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.1 COC1=CC=C(N)C=C1 AC-907/25014180 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.1 COC1=CC=C(N)C=N1 AO-080/40859930 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.1 COC1=CC=C(S)N=N1 AM-944/40512535 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.1 COC1=NN=C(Cl)C=C1 AC-907/25014054 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.1 N#CC1=CC=C(Br)C=N1 AC-907/25004485 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.1 NCC1=CC=C(Br)C=C1 AE-562/43286501 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.1 NCC1=CC=C(I)C=C1 AE-562/43460670 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.1 OCC1=CC=C(Cl)C=C1 AB-131/40228314 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.1 [C-]#[N+]C1=CC=C(Br)C=N1 AF-399/40963064 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.1 [C-]#[N+]C1=CC=C(Cl)C=N1 AF-399/40963075 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.2 CC1=NC(C#N)=CC=C1 AK-830/25033026 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.2 CNC1=CC(=O)NC=N1 AB-323/25048061 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.2 CNC1=CC=CC(Cl)=N1 AC-907/25004545 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.2 CNC1=NC(Br)=CC=C1 AN-584/43416474 [1,1,0,0,0,0|1,0,0]=3 77 B9R1.2 CNC1=NC=NC(Cl)=C1 AN-584/41473266 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.2 COC1=CC(C)=NC=N1 AN-584/42206187 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.2 COC1=CC(Cl)=NC=N1 AN-584/43099709 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.2 COC1=CC(N)=NC=N1 AG-664/25098047 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.2 COC1=CC=NC(N)=N1 AC-907/34123047 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.2 COC1=N[N+]([O-])=CC=C1 AC-907/25004443 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.2 CSC1=NC=CC(C)=N1 AR-527/42979548 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.2 CSC1=NC=CC(O)=N1 AB-323/25048187 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.2 NCC1=CC(Br)=CC=C1 AE-562/11384036 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.6 O=[N+]([O-])C1=CC=CC=N1 AE-842/30373015 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.15 CC1=C(CN)C=CC=C1 AP-770/40653937 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.15 CC1=CC=CN=C1C#N AN-584/42118739 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.15 CCC1=C(C)C=CN=C1 AO-801/41077436 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.15 N#CC1=C(Br)C=CC=N1 AC-907/34104040 [1,1,0,0,0,0|1,0,1]=4 91 B9R1.15 NC1=CC=CC=C1CO AC-907/25014178 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.15 OCC1=C(Cl)C=CC=C1 AC-509/25001981 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.15 OCC1=C(O)C=CC=N1 AJ-333/25006072 [1,1,0,0,0,0|1,0,0]=3 94 B9R1.12 NCCCN1C=CC=N1 AN-919/40777063 [0,1,0,0,1,0|1,0,0]=3 95 B9R1.13 CN(C)C=C1C=CC=C1 AO-840/40768031 [0,1,0,0,1,0|1,0,1]=4 96 B9R1.33 CSCC1=C(C)NC=N1 AL-398/25017025 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.1 N#CCOC1=NC=C(Cl)C=C1 AN-584/43294047 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.20 CC(=O)NC1=CC=C(Br)C=N1 AC-907/34126032 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.20 CC(=O)NC1=CC=C(C)C=N1 AI-942/25034577 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AE-562/43286955 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 AH-034/32461042 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 AE-641/00195035 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 AF-676/00077028 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.192 CCNC1=CC=C(O)C(O)=C1 AN-308/25123001 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.192 CCOC1=CC(Cl)=C(Cl)C=N1 AC-907/25004652 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.192 CCOC1=NC(Br)=C(Br)C=C1 AC-907/25004643 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.192 CCOC1=NC(Br)=C(N)C=C1 AC-907/25004693 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.17 CC1=C(OCCN)C=CC=C1 AE-641/00657056 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.41 BrCCC1=C(CBr)C=CC=C1 AB-131/40897156 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.222 COC(=O)C1=C(I)C=CC=N1 AJ-333/25022047 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.222 COC(=O)C1=C(O)C=CC=N1 AJ-333/25006091 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AQ-405/42300546 [0,2,0,0,0,0|1,0,1]=4 113 B11R1.24 CCCOC1=NC(N)=CC=C1 AC-907/34120018 [0,2,0,0,0,0|0,0,0]=2 114 B11R1.34 CCSC1=NC(N)=CC(=O)N1 AF-399/25108087 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.157 CC(=O)NC1=CC(C)=CC=N1 AC-907/25004803 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.157 CC(=O)NC1=CC=CC(C)=N1 AC-907/25014357 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.157 CC(=O)NC1=CC=CC(N)=N1 AC-907/34119004 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.157 CC(=O)NC1=CC=CC(O)=N1 AC-907/25004682 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.157 CN(C)CC1=CC=CC(I)=C1 AE-562/43460444 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.189 CCOC1=CC(NN)=NC=N1 AC-907/34118015 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.189 COC1=CC(CCN)=CC=C1 AE-562/40171055 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.12 CCB(CC)C1=NC=CC=C1 AO-289/25117006 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.16 NCCC(=O)C1=CC=CC=C1 AQ-917/42754038 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.40 O=C(CCl)NC1=NC=CC=C1 AN-584/40379512 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.91 N=C(N)CCC1=CC=CC=C1 AE-477/40437168 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.91 O=C(O)COC1=CC=CC=N1 AC-907/34118029 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.91 O=C(O)CSC1=CC=CC=N1 AE-641/00692009 [0,2,0,0,0,0|1,0,1]=4 128 B11R2.106 NC1=C2CCCC2=CC=C1 AE-646/31213054 [0,1,0,1,0,0|1,0,0]=3 129 B11R2.40 NC1(C2=CC=CC=C2)CC1 AR-527/42979546 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.1 CNC1=NC=CS1 AN-584/41682965 [1,0,0,0,1,0|2,0,0]=4 131 B7R1.1 OCC1=COC=C1 AE-641/00180028 [1,0,0,0,1,0|2,0,0]=4 132 B7R1.1 OCC1=NC=CN1 AR-527/43293956 [1,0,0,0,1,0|2,0,0]=4