0 B11R1.91 N=C(N)CCC1=CC=CC=C1 AE-477/40437168 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 N=C(N)SCC1=CC=CC=C1 AC-907/25004812 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AD-266/40164861 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-907/25014208 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 O=C(O)COC1=CC=CC=N1 AC-907/34118029 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 O=C(O)CSC1=CC=CC=N1 AE-641/00692009 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 N#CSCC1=CC=CC=C1 AJ-087/40225997 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 OCCNC1=CC=CC=N1 AE-641/00646003 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AE-473/30684056 [0,1,0,0,0,0|0,0,2]=3 10 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 AA-516/30035027 [0,1,0,0,0,0|1,0,2]=4 11 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 AE-562/43460369 [0,1,0,0,0,0|1,0,2]=4 12 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AE-641/00345037 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AQ-358/40179730 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AG-690/13155018 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 AA-516/30012060 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 AE-848/30864049 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.27 COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O AE-477/25037028 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O AN-651/40401218 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 AP-782/40197370 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.125 CC1=CC=CC=C1CCC(=O)O AE-562/43460471 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.125 CC1=CC=CC=C1NCC(=O)O AE-562/33905058 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.125 CC1=CC=CC=C1OCC(=O)O AC-907/25014252 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AJ-087/41885657 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.125 O=C(O)CCN1C=CC=CC1=O AO-365/43467515 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 AF-615/00098053 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 AE-562/43460511 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AE-562/43460517 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AJ-087/41885649 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 AE-641/00196031 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AN-651/40987637 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 AG-205/06752035 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.18 CC(=O)NC1=CC=CC=C1 AH-034/32461060 [0,0,0,0,1,0|1,0,2]=4 34 B10R1.18 CC(=S)NC1=CC=CC=C1 AQ-012/40221353 [0,0,0,0,1,0|1,1,1]=4 35 B10R1.18 CC(C)CC1=CC=NC=C1 AO-801/41077396 [0,0,0,0,1,0|2,0,0]=3 36 B10R1.18 C[N+]([O-])=CC1=CC=CC=C1 AN-068/40233748 [0,0,0,0,1,0|1,0,2]=4 37 B12R1.252 O=C(O)CCOC1=CC=CC=C1 AJ-087/40299913 [0,0,0,0,0,1|1,0,1]=3 38 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.16 NCCC(=O)C1=CC=CC=C1 AQ-917/42754038 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.16 O=C(SCO)C1=CC=CC=C1 AG-826/25038008 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.17 CC1=C(OCCN)C=CC=C1 AE-641/00657056 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.24 CCCOC1=NC(N)=CC=C1 AC-907/34120018 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 AC-509/25002068 [0,1,0,0,1,0|1,0,1]=4 45 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AE-562/43286955 [0,1,0,0,1,0|2,0,0]=4 46 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 AE-508/40191188 [0,1,0,0,1,0|1,0,1]=4 47 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 AH-034/32462009 [0,1,0,0,1,0|1,0,1]=4 48 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AE-641/00136032 [0,1,0,0,1,0|1,0,1]=4 49 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 AM-814/41090691 [0,1,0,0,1,0|1,0,1]=4 50 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 AE-562/40233036 [0,1,0,0,1,0|1,0,1]=4 51 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 AC-509/25002066 [0,1,0,0,1,0|1,0,1]=4 52 B11R1.157 CN(C)CC1=CC=CC(I)=C1 AE-562/43460444 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 AE-562/43460501 [0,1,0,0,1,0|1,0,1]=4 54 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 AC-509/25001994 [0,1,0,0,1,0|1,0,1]=4 55 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 AC-509/25002041 [0,1,0,0,1,0|1,0,1]=4 56 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AE-562/43460499 [0,1,0,0,1,0|1,0,1]=4 57 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AE-562/43460505 [0,1,0,0,1,0|1,0,1]=4 58 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 AE-562/43460507 [0,1,0,0,1,0|1,0,1]=4 59 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 AL-398/25017056 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 AO-435/04432048 [0,1,0,0,0,1|1,0,0]=3 61 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 AC-907/25014276 [0,1,0,0,0,1|1,0,1]=4 62 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AN-584/13156516 [0,1,0,0,0,1|1,0,1]=4 63 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl AJ-087/13156515 [0,1,0,0,0,1|1,0,1]=4 64 B13R1.348 CC(O)CC(=O)NC1=CC=CC=C1 AO-435/42299917 [0,1,0,0,0,1|0,0,1]=3 65 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 AO-365/43467503 [0,1,0,0,0,1|1,0,1]=4 66 B13R1.351 CC(C)[C@H](C)NCC1=CC=CC=C1 AK-823/11404369 [0,1,0,0,0,1|1,0,0]=3 67 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 AN-829/13156514 [0,1,0,0,0,1|1,0,1]=4 68 B13R1.718 CCC(C)NCCC1=CC=CC=C1 AK-823/41252327 [0,1,0,0,0,1|1,0,0]=3 69 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 AE-562/43460518 [0,2,0,0,0,0|1,0,1]=4 70 B13R1.3 NCC1=CC=C(CCC(=O)O)C=C1 AE-562/43458702 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.132 CC1=CC=C(C(C)CC(=O)O)C=C1 AE-562/40987650 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.11 CCC(C)NC(C)C1=CC=CC=C1 AK-823/41252324 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 AE-641/02458037 [0,2,0,0,0,0|0,0,2]=4 74 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 AD-266/40897092 [0,2,0,0,0,0|0,0,2]=4 75 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O AQ-917/42754496 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.201 CN(C)CC(Cl)C1=CC=CC=C1F AA-516/30040020 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 AE-562/40987648 [0,2,0,0,0,0|1,0,1]=4 78 B13R1.90 COC1=CC=CC=C1CCC(=O)O AT-051/43422775 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.643 NCC1=CC(CCC(=O)O)=CC=C1 AE-562/43458701 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 AJ-087/41885624 [0,2,0,0,0,0|1,0,1]=4 81 B13R2.10 CC1=NN(C2=CC=CC=C2)CC1 AQ-344/40210408 [0,0,0,1,0,1|1,0,1]=4 82 B13R2.57 OCC1CC2=CC=CC=C2CN1 AE-641/40197878 [0,1,0,1,0,0|1,0,0]=3 83 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O AK-820/40214345 [0,1,0,1,0,0|1,0,1]=4 84 B13R2.435 CC(O)C1=NC2=C(C=CC=C2)N1 AF-962/00509061 [0,1,0,1,0,0|1,0,1]=4 85 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 AQ-917/42754024 [0,1,0,1,0,0|1,0,1]=4 86 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 AE-641/04221028 [0,0,0,0,0,2|1,0,1]=4