0 B8R0.23 O=C(O)C[C@H](S)C(=O)O I11663 [1,0,0,0,0,0|2,0,0]=3 1 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [0,0,0,1,0,0|3,0,0]=4 2 B10R1.113 NC(=O)[C@H]1CCCC(=O)C1 D86046 [0,0,0,1,0,0|3,0,0]=4 3 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 AT10792 [0,0,0,1,0,0|3,0,0]=4 4 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 FD7137 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.113 O=C1CCO[C@H](C(=O)O)C1 AT12462 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.113 O=C1COC[C@@H](C(=O)O)N1 D74843 [0,0,0,1,0,0|0,1,0]=2 7 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23799 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23800 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT24216 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 52423 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.361 NC(=O)C1CCC1C(=O)O E72885 [0,0,0,1,0,0|3,0,0]=4 12 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.15 CO[C@@H](CN)C(=O)O E72815 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.15 O=C(O)C(CS)CS C13040 [2,0,0,0,0,0|0,1,1]=4 15 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O F15993 [1,1,0,0,0,0|2,0,0]=4 16 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O AT23078 [1,1,0,0,0,0|0,0,0]=2 17 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O AT23079 [1,1,0,0,0,0|0,0,0]=2 18 B9R0.42 COC(=O)C[C@H](C)C(=O)Cl AC8994 [1,1,0,0,0,0|2,0,0]=4 19 B9R1.6 O=C(O)[C@@H]1CSCCN1 AT23662 [1,0,0,1,0,0|0,0,1]=3 20 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.22 O=C1NC(=O)[C@H](CO)N1 D86066 [1,0,0,1,0,0|1,1,0]=4 22 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17994 [1,0,0,1,0,0|1,0,1]=4 23 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11434 [1,0,0,1,0,0|1,0,1]=4 24 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT24203 [1,0,0,1,0,0|1,0,1]=4 25 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 AT13973 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.35 O=C1N[C@H](C(=O)O)CS1 AT21690 [1,0,0,1,0,0|0,0,0]=2 27 B9R1.41 CC1CCNC1C(=O)O E72830 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.41 O=C(O)C1NCCC1F AT19446 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19444 [1,0,0,1,0,0|1,0,1]=4 30 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19445 [1,0,0,1,0,0|1,0,1]=4 31 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19447 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P10890 [1,0,0,1,0,0|0,1,1]=4 33 B9R1.96 CCN1CC[C@H]1C(=O)O E73037 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [1,0,0,1,0,0|0,1,1]=4 37 B9R1.69 C[C@@H]1NC(=O)CNC1=O D72765 [1,0,0,1,0,0|1,0,0]=3 38 B9R1.69 O=C1CNC(=O)[C@H](Br)N1 D72770 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.152 NC1(C(=O)O)CC(=O)C1 AT23624 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.164 CC1(C)C[C@@H](C(=O)O)N1 AT23789 [1,0,0,1,0,0|1,0,1]=4 41 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 E72879 [0,0,0,1,0,1|1,0,0]=3 42 B11R1.166 C[C@@H]1CC(=O)CC[C@@H]1C(=O)O P18308 [0,0,0,1,0,1|2,0,0]=4 43 B11R1.167 O=C1CNC(=O)[C@H](C(=O)O)N1 D72771 [0,1,0,1,0,0|0,1,1]=4 44 B11R1.23 COC(=O)[C@@H]1CSCC(=O)C1 AT12974 [0,1,0,1,0,0|1,0,0]=3 45 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [1,0,0,0,1,0|1,0,1]=4