0 B9R0.23 COC(=O)C(=O)CC(C)C SC-27308 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.23 COC(=O)C(N)CC(C)C SC-09664 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.23 COC(=O)[C@H](N)CC(=O)O SC-65762 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.23 COC(=O)[C@H](N)CC(C)C SC-24788 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.3 C#CCC(N)C(=O)OC SC-32576 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.3 C=CC[C@@H](N)C(=O)OC SC-69286 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.3 C=CC[C@@H](O)C(=O)OC SC-14276 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.3 C=CC[C@H](O)C(=O)OC SC-14277 [1,0,0,0,0,0|0,0,2]=3 8 B8R0.9 CC(C)CCC(=O)NN SC-59735 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.9 COC(=O)CCC(N)=O SC-88449 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.9 COC(=O)CNC(C)=O SC-66088 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [1,0,0,0,0,0|0,0,3]=4 12 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [1,0,0,0,0,0|0,0,0]=1 13 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.32 CCOC(=O)C(=O)CC(C)C SC-28952 [0,1,0,0,0,0|0,0,2]=3 18 B10R0.46 COC(=O)C[C@H](N)C(=O)OC SC-09421 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.64 CC(C)CC1CCNC1=O SC-26336 [0,0,0,1,0,0|2,0,0]=3 20 B8R0.2 COC(=O)C(=O)C(C)Br SC-49692 [0,0,0,0,1,0|1,0,2]=4 21 B8R0.2 COC(=O)C(=O)C(C)C SC-26959 [0,0,0,0,1,0|0,0,2]=3 22 B8R0.2 COC(=O)C(Cl)C(C)=O SC-49511 [0,0,0,0,1,0|2,0,1]=4 23 B8R0.2 COC(=O)[C@@H](N)C(C)C SC-10007 [0,0,0,0,1,0|1,0,0]=2 24 B7R0.3 CCCCC(=O)NN SC-59745 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.3 CC\C=C\C(=O)OC SC-62851 [2,0,0,0,0,0|0,0,2]=4 26 B7R0.3 COC(=O)CCC#N SC-20469 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.3 COC(=O)CCCBr SC-46963 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [2,0,0,0,0,0|0,0,0]=2 31 B7R0.5 COCC(N)C(=O)O SC-43930 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.5 NCCC(O)C(=O)O SC-16245 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.10 COC(=O)[C@@H](N)CO SC-88547 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.10 COC(=O)[C@H](C)CBr SC-08854 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.2 CCC(O)CC(C)O SC-95923 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.6 CC(=O)CCN(C)C SC-53808 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.6 CC(C)CCC(C)O SC-53086 [2,0,0,0,0,0|0,0,2]=4 38 B7R0.6 CN(C)CCC(=O)O SC-84792 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.8 COC(=O)[C@H](N)CCCN SC-10414 [1,1,0,0,0,0|1,0,0]=3 40 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SC-09632 [1,1,0,0,0,0|1,0,0]=3 41 B9R0.35 CCOC(=O)C(N)CCN SC-41952 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.35 CCOC(=O)C(N)CCS SC-41577 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.35 CCOC(=O)[C@@H](N)CSC SC-42055 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.7 CC(=O)C(=O)OCC(C)C SC-26296 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.7 CC(C)COC(=O)[C@H](C)Cl SC-13693 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.21 COC(=O)CCC(F)(F)F SC-53393 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.21 COC(=O)COC(C)(C)C SC-72826 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.42 CCC(=O)OC(Cl)C(C)C SC-52421 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.42 COC(=O)CC(=O)C(C)Br SC-A0012 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.48 CC(C)CCC(=O)OCCl SC-69819 [1,1,0,0,0,0|0,0,0]=2 51 B9R0.48 CCOC(=O)CCC(C)C SC-41649 [1,1,0,0,0,0|0,0,0]=2 52 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SC-48910 [1,1,0,0,0,0|1,0,0]=3 53 B11R0.110 COC(=O)CC(O)CC(=O)OC SC-25212 [0,1,0,0,0,1|1,0,1]=4 54 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C SC-22629 [0,1,0,0,0,1|1,0,0]=3 55 B11R0.66 COC(=O)C(O)C(O)C(=O)OC SC-00775 [0,2,0,0,0,0|1,0,1]=4 56 B11R0.66 COC(=O)C(O)[C@H](N)C(=O)OC SC-48044 [0,2,0,0,0,0|1,0,1]=4 57 B11R0.39 COC(=O)[C@H](CC(C)C)N=C=O SC-09017 [0,2,0,0,0,0|0,0,1]=3 58 B9R1.3 CN1CCCC(N)C1=O SC-53874 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.5 NC1CCCCNC1=O SC-23204 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.5 O=C1CCCCCC1Cl SC-52650 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.5 [C@H]1(N)CCCCNC1=O SC-47624 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.11 CCC(=O)C1CCCC1 SC-69831 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.11 COC(=O)C1CCCO1 SC-03960 [1,0,0,1,0,0|0,0,0]=2 64 B9R1.101 COC(=O)C(N)C1CC1 SC-26473 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.101 COC(=O)[C@@H](N)C1CC1 SC-94854 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.36 CC1CC(C)(C)CC1=S SC-42669 [1,0,0,1,0,0|1,1,0]=4 67 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.15 CCOC(=O)C1CCN(C)C1 SC-25228 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.15 CCOC(=O)[C@H]1C[C@@H](O)CN1 SC-00806 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.15 CCOC(=O)[C@H]1C[C@@H](O)CN1 SC-42384 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.86 CC(C)CC1CCCNC1=O SC-26295 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.23 COC(=O)C1CC(=O)CCO1 SC-65890 [0,1,0,1,0,0|1,0,1]=4 74 B11R1.23 COC(=O)C1CC(N)CCN1 SC-60005 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.23 COC(=O)C1CNCC(O)C1 SC-21858 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.23 COC(=O)C1CNCC(O)C1 SC-97068 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.44 COC(=O)C1CCC(OC)N1 SC-52730 [0,1,0,1,0,0|2,0,0]=4 78 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [1,0,0,0,1,0|0,0,0]=2 79 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [1,0,0,0,1,0|2,0,0]=4 80 B7R0.16 C[C@H](N)[C@H](N)C(=O)O SC-10141 [1,0,0,0,1,0|2,0,0]=4 81 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [1,0,0,0,1,0|1,0,0]=3 82 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [1,0,0,0,0,1|1,0,1]=4