0 B7R1.1 CNC1=NC=CS1 AN-584/41682965 [0,0,0,0,0,0|3,1,0]=4 1 B7R1.1 NNC1=NC=CS1 AH-034/32832026 [0,0,0,0,0,0|3,1,0]=4 2 B7R1.1 O=CC1=CNC=C1 AC-776/25122024 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 O=CC1=CNC=N1 AB-131/25126048 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 OCC1=CN=CN1 AB-131/25126047 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.1 OCC1=COC=C1 AE-641/00180028 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.1 OCC1=NC=CN1 AR-527/43293956 [0,0,0,0,0,0|2,0,2]=4 7 B6R1.2 BrC1=CN=CN1 AC-907/34115001 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 BrC1=NNC=C1 AC-907/30002001 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 CC1=CN=CN1 AL-398/25017073 [1,0,0,0,0,0|2,0,1]=4 10 B6R1.2 ClC1=CNC=N1 AE-562/43286932 [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 NC1=NC=CN1 AL-398/25017027 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 NC1=NC=CO1 AN-584/43408342 [1,0,0,0,0,0|2,0,0]=3 14 B6R1.2 NC1=NC=CS1 AB-601/30915002 [1,0,0,0,0,0|2,1,0]=4 15 B6R1.2 O=C1NC=CN1 AK-564/25068002 [1,0,0,0,0,0|2,0,0]=3 16 B6R1.2 SC1=NC=CN1 AP-836/41220351 [1,0,0,0,0,0|2,1,0]=4 17 B8R1.7 CC(=O)C1=CC=CN1 AI-942/25034253 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.7 CC(=O)C1=COC=C1 AI-942/25034202 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.7 CC(=O)C1=CSC=C1 AI-942/40192066 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.7 CC(=O)C1=C[Se]C=C1 AI-942/25034210 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.7 O=C(O)C1=CC=CN1 AC-907/25014066 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.7 O=C(O)C1=CC=CO1 AC-907/25014051 [0,1,0,0,0,0|0,0,0]=1 23 B8R1.7 O=C(O)C1=CC=C[Se]1 AI-942/25034662 [0,1,0,0,0,0|0,1,0]=2 24 B8R1.7 O=C(O)C1=CSC=N1 AN-604/40744409 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.7 O=C(O)C1=CSN=N1 AE-842/30373016 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.7 O=C(O)C1=NC=CN1 AC-907/34115015 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.7 O=[N+]([O-])C1=CN=CN1 AB-323/25048517 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.7 O=[N+]([O-])C1=CSC=C1 AI-942/25121011 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.7 O=[N+]([O-])C1=C[N-]C=N1 AE-848/33235009 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.7 O=[N+]([O-])N1C=CC=N1 AE-641/00635046 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.8 O\N=C\C1=CC=CN1 AN-308/25123037 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.11 CC1=CSC=C1C=O AI-942/25034206 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.11 O=CC1=C(I)C=CS1 AI-942/25121040 [0,1,0,0,0,0|0,1,0]=2 34 B8R1.11 O=CC1=C(I)SC=C1 AI-942/25121041 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.2 CNC1=CC=NC=C1 AE-842/30373017 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.2 COC1=CC=NC=C1 AC-907/25004551 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.2 COC1=NC=CC=N1 AC-907/25004440 [0,0,0,0,0,1|3,0,0]=4 38 B8R1.2 N#CC1=CC=NC=C1 AC-907/25014099 [0,0,0,0,0,1|2,0,1]=4 39 B8R1.2 N#CC1=CN=CC=C1 AC-907/25014098 [0,0,0,0,0,1|2,0,1]=4 40 B8R1.2 NNC1=NC=CC=N1 AC-907/34123044 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.2 OCC1=CC=CC=N1 AE-641/00340018 [0,0,0,0,0,1|1,0,2]=4 42 B5R1.1 C1=CNN=C1 AC-907/25014006 [2,0,0,0,0,0|2,0,0]=4 43 B5R1.1 C1=COC=N1 AA-511/25015522 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 C\C=C\C=C\C(=O)O AN-651/40229308 [0,1,1,0,0,0|1,0,0]=3 45 B7R1.2 IC1=CC=C(I)S1 AI-942/42301759 [1,1,0,0,0,0|1,1,0]=4 46 B7R1.2 O=C1NC(O)=CS1 AC-907/30002002 [1,1,0,0,0,0|1,1,0]=4 47 B9R1.1 O=CC1=CC=C(Br)C=C1 AB-131/40654019 [0,1,0,0,0,1|1,0,0]=3 48 B9R1.1 O=CC1=CC=C(O)C=C1 AB-131/40191192 [0,1,0,0,0,1|1,0,0]=3 49 B9R1.6 CC(=O)C1=CN=CC=C1 AE-641/00369001 [0,1,0,0,0,1|1,0,0]=3 50 B9R1.6 N=C(N)C1=CC=CC=C1 AE-641/30119009 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.6 NC(=O)C1=CN=CC=C1 AC-907/25014114 [0,1,0,0,0,1|1,0,0]=3 52 B9R1.6 NC(=O)C1=NC=CN=C1 AC-907/25014068 [0,1,0,0,0,1|1,0,0]=3 53 B9R1.6 NC(=S)C1=CC=CC=C1 AO-840/40187641 [0,1,0,0,0,1|1,1,0]=4 54 B9R1.6 O=C(O)C1=CC=NC=C1 AC-907/25014347 [0,1,0,0,0,1|1,0,0]=3 55 B9R1.6 O=C(O)C1=CN=CC=C1 AC-907/25014105 [0,1,0,0,0,1|1,0,0]=3 56 B9R1.6 O=C(O)C1=CN=CC=N1 AB-131/40186434 [0,1,0,0,0,1|1,0,0]=3 57 B9R1.6 O=C(O)C1=CN=CN=C1 AA-516/30012043 [0,1,0,0,0,1|2,0,0]=4 58 B9R1.6 O=C(O)C1=NC=NC=C1 AE-641/00364016 [0,1,0,0,0,1|1,0,0]=3 59 B9R1.6 O=C([O-])C1=CN=CC=C1 AC-907/25004509 [0,1,0,0,0,1|1,0,0]=3 60 B9R1.6 O=[N+]([O-])C1=CC=CC=N1 AE-842/30373015 [0,1,0,0,0,1|2,0,0]=4 61 B9R1.8 O=CNC1=CC=CC=C1 AR-360/40233696 [0,1,0,0,0,1|1,0,0]=3 62 B9R1.8 O\N=C\C1=NC=CC=C1 AQ-405/40177765 [0,1,0,0,0,1|1,0,1]=4 63 B9R1.15 NC1=C(C=O)C=CC=N1 AA-516/30054004 [0,1,0,0,0,1|1,0,0]=3 64 B9R1.15 O=CC1=CC=CNC1=S AE-411/41415619 [0,1,0,0,0,1|1,0,0]=3 65 B9R1.7 CC1=CC=C(\C=N\O)S1 AI-942/25034261 [0,2,0,0,0,0|0,1,1]=4 66 B9R1.22 CC1=CC(C=O)=C(C)N1 AA-516/30054053 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.23 CC1=C(Br)C=C(C=O)S1 AN-584/11663464 [0,2,0,0,0,0|0,1,0]=3 68 B9R1.35 CC(=O)C1=CC=C(Br)S1 AI-942/25034161 [0,2,0,0,0,0|0,1,0]=3 69 B9R1.35 CC(=O)C1=CC=C(Cl)S1 AI-942/40232791 [0,2,0,0,0,0|0,1,0]=3 70 B9R1.35 CC1=CC=C(C(=O)O)S1 AI-942/25034216 [0,2,0,0,0,0|0,1,0]=3 71 B9R1.35 CC1=CSC(C(=O)O)=C1 AI-942/25034215 [0,2,0,0,0,0|0,1,0]=3 72 B9R1.35 O=C(O)C1=CC(Br)=CS1 AF-960/00468042 [0,2,0,0,0,0|0,1,0]=3 73 B9R1.35 O=C(O)C1=CC=C(Br)O1 AE-641/00180017 [0,2,0,0,0,0|0,0,0]=2 74 B9R1.35 O=C(O)C1=CSC(Br)=C1 AR-362/33754020 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.35 O=C(O)C1=CSC(Cl)=C1 AI-942/25121028 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.35 O=C1NC=C(C(=O)O)N1 AO-080/40387978 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.11 CNC(=O)C1=CC=CO1 AK-830/25033016 [0,2,0,0,0,0|0,0,0]=2 78 B9R1.11 CNC(=O)C1=CC=CS1 AK-830/25033017 [0,2,0,0,0,0|0,1,0]=3 79 B9R1.11 CNC(=O)C1=CSC=C1 AK-830/25033018 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.11 COC(=O)C1=CN=CS1 AE-562/40207545 [0,2,0,0,0,0|1,1,0]=4 81 B9R1.11 C\C(=N/O)C1=CC=CO1 AI-942/40238996 [0,2,0,0,0,0|0,0,1]=3 82 B9R1.11 NNC(=O)C1=CC=CO1 AN-068/40170015 [0,2,0,0,0,0|0,0,0]=2 83 B9R1.11 NNC(=O)C1=CSC=C1 AN-584/40381908 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.19 CS(=O)(=O)C1=CC=CS1 AI-942/25034080 [0,2,0,0,0,0|1,1,0]=4 85 B9R1.41 CC(=O)C1=C(I)C=CS1 AI-942/25034172 [0,2,0,0,0,0|0,1,0]=3 86 B9R1.41 CC1=C(C(=O)O)C=CO1 AK-830/25033015 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.41 CC1=C(C(=O)O)C=CS1 AI-942/25034218 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.41 CC1=C(C(=O)O)OC=C1 AB-337/25021043 [0,2,0,0,0,0|0,0,0]=2 89 B9R1.41 CN1C=CC=C1C(=O)O AI-942/25034255 [0,2,0,0,0,0|1,0,0]=3 90 B9R1.41 NC(=O)C1=C(N)NC=N1 AG-756/20213048 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.41 NC(=O)C1=C(N)SC=C1 AI-942/25034073 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.41 O=C(O)C1=C(Br)C=CO1 AI-942/25121026 [0,2,0,0,0,0|0,0,0]=2 93 B9R1.41 O=C(O)C1=C(Br)C=CS1 AF-960/00468043 [0,2,0,0,0,0|0,1,0]=3 94 B9R1.41 O=C(O)C1=C(Cl)C=NN1 AG-664/25027001 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.41 O=C(O)C1=C(F)C=CS1 AI-942/25121036 [0,2,0,0,0,0|0,1,0]=3 96 B9R1.41 O=C(O)C1=C(F)SC=C1 AI-942/25121035 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.41 O=C(O)C1=C(I)C=NN1 AG-690/36538047 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 AI-472/32219036 [0,2,0,0,0,0|1,1,0]=4 99 B9R1.13 CC(=O)NC1=CC=CO1 AI-942/42301810 [0,2,0,0,0,0|0,0,0]=2 100 B9R1.13 CN(C)C=C1C=CC=C1 AO-840/40768031 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.13 C\[N+]([O-])=C\C1=CC=CN1 AQ-387/42302718 [0,2,0,0,0,0|1,0,1]=4 102 B9R1.13 C\[N+]([O-])=C\C1=CC=CS1 AQ-387/42302717 [0,2,0,0,0,0|0,1,1]=4 103 B9R1.13 NC(=O)CC1=CSC=N1 AF-399/25051005 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.13 O=C(O)CC1=COC=C1 AI-942/25034203 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.13 O=C(O)CC1=CSC=C1 AI-942/25034212 [0,2,0,0,0,0|2,0,0]=4 106 B9R1.13 O=C([O-])CC1=COC=C1 AI-942/25034184 [0,2,0,0,0,0|2,0,0]=4 107 B9R1.14 COC1=C(C=O)SC=C1 AI-942/42301781 [0,2,0,0,0,0|0,1,0]=3 108 B9R1.14 O=CC1=C(C=O)SC=C1 AI-942/25034143 [0,2,0,0,0,0|0,1,0]=3 109 B9R1.14 O=CC1=COC=C1CO AE-477/25037019 [0,2,0,0,0,0|2,0,0]=4 110 B7R1.3 IC1=CN=CC=C1 AC-907/30003005 [0,0,1,1,0,0|2,0,0]=4 111 B7R1.3 NC1=CN=CC=C1 AC-907/25014070 [0,0,1,1,0,0|2,0,0]=4 112 B7R1.3 OC1=CC=CC=N1 AC-907/25014059 [0,0,1,1,0,0|2,0,0]=4 113 B7R1.3 OC1=CC=CN=N1 AC-907/30002019 [0,0,1,1,0,0|2,0,0]=4 114 B7R1.3 OC1=CC=NC=C1 AC-907/34116018 [0,0,1,1,0,0|2,0,0]=4 115 B7R1.3 OC1=CN=CC=C1 AC-907/25014060 [0,0,1,1,0,0|1,0,0]=3 116 B7R1.3 OC1=CN=CC=N1 AC-907/25004286 [0,0,1,1,0,0|2,0,0]=4 117 B9R2.3 C1=CC2=C(C=CS2)S1 AI-942/25034154 [0,1,0,1,0,0|0,2,0]=4