0 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [1,0,0,0,0,0|1,0,1]=3 1 B10R0.26 CCNC(=O)N[C@@H](C)C(=O)O E72360 [0,1,0,0,0,0|3,0,0]=4 2 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53604 [0,1,0,0,0,0|1,0,1]=3 3 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53696 [0,1,0,0,0,0|1,0,1]=3 4 B10R0.32 CCOC(=O)[C@@H](N)CN(C)C AT25505 [0,1,0,0,0,0|2,0,0]=3 5 B10R0.57 CON(C)C(=O)CCC(=O)O D76101 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.1 CCON1CCC(=O)CC1 92110 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [0,0,0,1,0,0|1,0,0]=2 8 B10R1.113 CC(=O)[C@H]1CCNC(=O)C1 AC9648 [0,0,0,1,0,0|1,0,0]=2 9 B10R1.113 NC(=O)[C@H]1CCCC(=O)C1 D86046 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 AT10792 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 FD7137 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.113 O=C1CCO[C@H](C(=O)O)C1 AT12462 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.140 CCOC(=O)N1CC(N)C1 AT23060 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 F52406 [0,0,0,1,0,0|1,0,1]=3 15 B7R0.4 CCCCC[13C](=O)O 41454 [2,0,0,0,0,0|1,0,1]=4 16 B7R0.6 C[C@H](N)CCC(=O)O D75535 [2,0,0,0,0,0|1,0,1]=4 17 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [1,1,0,0,0,0|1,0,1]=4 18 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [1,1,0,0,0,0|1,0,1]=4 19 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [1,1,0,0,0,0|0,0,2]=4 20 B9R0.7 C[C@H](S)C(=O)NCC(=O)O AC9095 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.42 COC(=O)C[C@H](C)C(=O)Cl AC8994 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.6 CCOC(=O)[C@@H](C)C(=O)O C91037 [0,1,0,0,1,0|1,0,0]=3 23 B9R0.44 CCOC(=O)CC(C)(C)F AT22077 [0,1,0,0,1,0|1,0,1]=4 24 B11R0.54 CCOC(=O)C[C@H](N)C(C)(C)C F53630 [0,2,0,0,0,0|1,0,1]=4 25 B11R0.54 CCOC(=O)C[C@H](O)C(C)(C)C E72435 [0,2,0,0,0,0|1,0,1]=4 26 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F C12819 [0,2,0,0,0,0|1,0,1]=4 27 B11R0.240 CCOC(=O)C(F)(F)CC(=O)O AT12561 [0,2,0,0,0,0|1,0,0]=3 28 B11R0.170 CCOC(=O)CCC(F)(F)CO AT12467 [0,2,0,0,0,0|1,0,1]=4 29 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [1,0,0,1,0,0|1,0,1]=4 30 B9R1.69 C[C@@H]1NC(=O)CNC1=O D72765 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.183 CCOC(=O)C1CC1O 92030 [1,0,0,1,0,0|0,0,2]=4 33 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20135 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [1,0,0,1,0,0|0,0,0]=2 35 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [1,0,0,1,0,0|0,0,0]=2 36 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19707 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19708 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19709 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 AT19216 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P14334 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.147 CC(=O)CCC1(O)CC1 AT24658 [1,0,0,1,0,0|0,0,2]=4 42 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,0,0,1,1,0|2,0,0]=4 43 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,0,0,1,1,0|1,0,1]=4 44 B9R1.34 O=C1CC(=O)CC(O)C1 57817 [0,0,0,1,1,0|2,0,0]=4 45 B11R1.15 CCOC(=O)C1=CC(=O)CC1 AC9467 [0,0,0,1,0,1|0,0,1]=3 46 B11R1.15 CCOC(=O)[C@@H]1CC(Br)=NO1 69273 [0,0,0,1,0,1|2,0,0]=4 47 B11R1.64 CCN1C(=O)CC[C@H]1C(=O)O AT19159 [0,0,0,1,0,1|2,0,0]=4 48 B11R1.90 O=C(O)CCN1CCSC1=O AT20231 [0,0,0,1,0,1|1,1,0]=4 49 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 E72879 [0,0,0,1,0,1|2,0,0]=4 50 B11R1.166 C[C@@H]1CC(=O)CC[C@@H]1C(=O)O P18308 [0,0,0,1,0,1|2,0,0]=4 51 B11R1.816 CCOC(=O)[C@H]1C[C@@H]1C(=O)O C11021 [0,0,0,1,0,1|1,0,0]=3 52 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53579 [0,1,0,1,0,0|1,0,1]=4 53 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53580 [0,1,0,1,0,0|1,0,1]=4 54 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53745 [0,1,0,1,0,0|1,0,1]=4 55 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53746 [0,1,0,1,0,0|1,0,1]=4 56 B11R1.86 O=C(O)C[C@@H]1SCCNC1=O AT25268 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.833 CCOC(=O)C1(N)CC(C)C1 50672 [0,1,0,1,0,0|1,0,1]=4 58 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](N)C1 P13495 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](O)C1 P15696 [0,1,0,1,0,0|0,0,2]=4 60 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 P15695 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.23 C=C1CCC[C@H](C(=O)OC)C1 AT23744 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.23 CCC(=O)[C@H]1CCCC(=O)C1 F53409 [0,1,0,1,0,0|1,0,0]=3 63 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 38136 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.23 COC(=O)[C@@H]1CC(=O)CCO1 AT14695 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.23 COC(=O)[C@@H]1CSCC(=O)C1 AT12974 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.822 C#CC1CC(C(=O)OCC)C1 AT14002 [0,1,0,1,0,0|1,0,1]=4 67 B11R2.742 O=C1CCC2(CCO2)CC1 P18464 [0,0,0,2,0,0|1,0,1]=4 68 B11R2.530 O=C(O)[C@@H]1[C@H]2C(=O)NC[C@@H]12 AT19058 [0,0,0,2,0,0|2,0,0]=4