0 B10R1.17 Cl\C=C\C[N+]1=CC=CC=C1 AO-840/42718062 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 N#CSCC1=CC=CC=C1 AJ-087/40225997 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 OCCNC1=CC=CC=N1 AE-641/00646003 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 N#CC[N+]1=CC=CC=C1 AA-516/25012031 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 O=CNC1=CC=CC=C1 AR-360/40233696 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.8 O\N=C\C1=NC=CC=C1 AQ-405/40177765 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1 C=CCOC1=CC=C(O)C=C1 AK-087/42718133 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.16 N#CCC(=O)C1=CC=CC=C1 AC-907/25014239 [0,1,0,0,0,0|1,0,2]=4 9 B11R1.16 NCCC(=O)C1=CC=CC=C1 AQ-917/42754038 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.16 O=C(SCO)C1=CC=CC=C1 AG-826/25038008 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.17 CC1=C(OCCN)C=CC=C1 AE-641/00657056 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.17 N#CCNC1=CC=CC=C1N AC-907/25004797 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.24 CCCOC1=NC(N)=CC=C1 AC-907/34120018 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.40 C\C(=N\O)NC1=CC=CC=C1 AC-907/34120003 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.40 NNC(=O)CC1=CC=CC=C1 AN-068/40177140 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.91 N=C(N)CCC1=CC=CC=C1 AE-477/40437168 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.91 N=C(N)SCC1=CC=CC=C1 AC-907/25004812 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AD-266/40164861 [0,1,0,0,0,0|0,0,3]=4 20 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-907/25014208 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.91 O=C(O)COC1=CC=CC=N1 AC-907/34118029 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.91 O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.91 O=C(O)CSC1=CC=CC=N1 AE-641/00692009 [0,1,0,0,0,0|2,0,1]=4 24 B11R2.1 O=C1OCC2=C1C=CC=C2 AE-641/30105043 [0,0,0,1,0,0|1,0,2]=4 25 B11R2.1 O=C1SCC2=CC=CC=C12 AE-641/25069001 [0,0,0,1,0,0|1,0,2]=4 26 B11R2.1 ON1N=NC2=CC=CC=C21 AB-131/40192094 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.12 NCCCN1C=CC=N1 AN-919/40777063 [0,0,0,0,1,0|3,0,0]=4 28 B8R1.2 CNC1=CC=NC=C1 AE-842/30373017 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 COC1=CC=NC=C1 AC-907/25004551 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 OCC1=CC=CC=N1 AE-641/00340018 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.1 CC1=CC=C(CCN)C=C1 AE-562/42006047 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.1 CCOC1=CC=C(Br)C=N1 AC-907/25004667 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.1 N#CCC1=CC=C(O)C=C1 AE-562/40164564 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.1 O\N=C\C1=CC=C(O)C=C1 AF-753/00286030 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.4 CCOC1=C(Br)C=CC=N1 AC-907/25004665 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CCOC1=C(N)N=CC=C1 AF-807/00322014 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.4 CCOC1=NC=CC=C1Cl AN-584/42206191 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.4 NC1=C(\C=N\O)C=CC=C1 AA-516/30035028 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.10 CCOC1=CC(Br)=CN=C1 AC-907/25004452 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.10 CCOC1=CC(N)=CC=N1 AC-907/34119014 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.10 CCOC1=CC=NC(Br)=C1 AC-907/25004669 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 CCOC1=CC=NC(Cl)=C1 AC-907/25004672 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.10 CCOC1=CC=NC(N)=C1 AC-907/34124050 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.10 CCOC1=CN=CC(O)=C1 AE-842/00015017 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.10 CCOC1=NC(Br)=CC=C1 AC-907/25005382 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.15 CNC(=O)C1=CC=CC=C1 AP-065/40250235 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-907/25014200 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.18 CC(=O)NC1=CC=CC=C1 AH-034/32461060 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.18 CC(=S)NC1=CC=CC=C1 AQ-012/40221353 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.18 CC(C)CC1=CC=NC=C1 AO-801/41077396 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.18 C[N+]([O-])=CC1=CC=CC=C1 AN-068/40233748 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AE-473/30684056 [0,2,0,0,0,0|0,0,2]=4 53 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 AE-562/43460369 [0,2,0,0,0,0|0,0,2]=4 54 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AE-641/00345037 [0,2,0,0,0,0|0,0,1]=3 55 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AQ-358/40179730 [0,2,0,0,0,0|0,0,1]=3 56 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AG-690/13155018 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 AA-516/30012060 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 AE-848/30864049 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.71 COC1=CC=C(OCCBr)C=C1 AH-481/02707035 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.125 CC1=CC=CC=C1CCC(=O)O AE-562/43460471 [0,2,0,0,0,0|0,0,1]=3 61 B12R1.125 CC1=CC=CC=C1NCC(=O)O AE-562/33905058 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.125 CC1=CC=CC=C1OCC(=O)O AC-907/25014252 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AJ-087/41885657 [0,2,0,0,0,0|0,0,1]=3 64 B12R1.125 O=C(O)CCN1C=CC=CC1=O AO-365/43467515 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 AF-615/00098053 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.267 CCCCOC1=C(Cl)C=CC=N1 AC-907/25004944 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 AE-562/43460511 [0,2,0,0,0,0|0,0,1]=3 68 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AE-562/43460517 [0,2,0,0,0,0|0,0,1]=3 69 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AJ-087/41885649 [0,2,0,0,0,0|0,0,1]=3 70 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 AE-641/00196031 [0,2,0,0,0,0|0,0,1]=3 71 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AN-651/40987637 [0,2,0,0,0,0|0,0,1]=3 72 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 AG-205/06752035 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.8 ClCCCNCC1=CC=CC=C1 AN-584/43416476 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.27 COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.32 CCOC(=N)CC1=CC=CC=C1 AN-584/42206204 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 AE-641/00386063 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.252 O=C(O)CCOC1=CC=CC=C1 AJ-087/40299913 [0,2,0,0,0,0|0,0,1]=3 78 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O AE-477/25037028 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O AN-651/40401218 [0,2,0,0,0,0|1,0,1]=4 80 B10R2.7 C1=CC2=C(C=C1)NCC2 AG-690/11351758 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.24 O=C1COC2=CC=CC=C2N1 AE-473/30224032 [0,1,0,1,0,0|1,0,1]=4 82 B12R2.2 C1=CC=C([S+]2CCCC2)N=C1 AN-967/25120017 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 AQ-405/42300548 [0,1,0,1,0,0|1,0,1]=4 84 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AB-131/40347218 [0,1,0,1,0,0|0,0,1]=3 85 B12R2.1081 OC1=CC=CC2=C1NCCC2 AF-399/25108090 [0,1,0,1,0,0|1,0,0]=3 86 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 AN-068/25067013 [0,1,0,1,0,0|0,0,2]=4 87 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 AE-641/00568014 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 AE-848/00220058 [0,1,0,1,0,0|0,0,2]=4 89 B12R2.18 OC1C2=CC=CC=C2CC1Br AP-406/41269981 [0,1,0,1,0,0|0,0,0]=2 90 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@H]1Cl AC-082/25006749 [0,1,0,1,0,0|0,0,0]=2 91 B8R1.8 OCCC1=NC=CN1 AR-527/43293965 [1,0,0,0,1,0|2,0,0]=4