0 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 10-101-106 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O CP02903 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CP27105 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CP27313 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 C=C(C)C[C@H](N)C(=O)O CP27551 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.23 CC(=O)NC(C)C(=O)O CP26194 [1,0,0,0,0,0|0,0,0]=1 6 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CP00104 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.23 CC(=O)N[C@@H](C)C(N)=O CP25410 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.23 CC(=O)N[C@H](C)C(=O)O CP25527 [1,0,0,0,0,0|0,0,0]=1 9 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OPO-051 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.23 CC(=O)O[C@H](C)C(=O)O OPO-052 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.23 CC(NC(N)=O)C(=O)O CP27459 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.23 NC(=O)CC(N)C(=O)O CP00305 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00301 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00302 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00303 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00304 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CP00403 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.23 N[C@H](CC(=O)O)C(=O)O CP00401 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.23 C=CC[C@H](NC(C)=O)C(=O)O CP25225 [0,1,0,0,0,0|1,0,0]=2 20 B10R0.23 CCC[C@H](NC(C)=O)C(=O)O CP08603 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.54 COC(=O)C(CCl)NC(C)=O AAD-002 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.54 COC(=O)[C@H](CO)NC(C)=O CP27195 [0,1,0,0,0,0|0,1,0]=2 23 B10R0.54 COC(=O)[C@H](CS)NC(C)=O CP26998 [0,1,0,0,0,0|0,0,0]=1 24 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C CP02204 [0,1,0,0,0,0|1,0,0]=2 25 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C CP02205 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O CP01907 [0,1,0,0,0,0|0,1,0]=2 27 B10R0.162 CC(=O)N[C@H](C(N)=O)C(C)C CP25816 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 MFP-003 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 CP27717 [0,0,0,1,0,0|2,0,1]=4 30 B7R0.15 CN[C@@H](CO)C(=O)O CP25655 [2,0,0,0,0,0|0,1,0]=3 31 B7R0.6 CC(=O)NCC(=O)O CP00902 [2,0,0,0,0,0|0,0,0]=2 32 B9R0.33 CC(C)[C@H](NC=O)C(=O)O CP27114 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O CP25360 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CP25749 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.23 CNC(=O)[C@H](C)NC(C)=O CP26601 [1,1,0,0,0,0|1,0,0]=3 36 B9R0.23 COC(=O)[C@@H](C)NC(C)=O CP25548 [1,1,0,0,0,0|0,0,0]=2 37 B9R0.42 COC(=O)CC(N)C(=O)O CP26555 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CP26775 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.42 COC(=O)C[C@H](N)C(=O)O CP00445 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.79 CC(C(=O)O)C(N)C(=O)O CP08001 [1,1,0,0,0,0|2,0,0]=4 41 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O CP26886 [0,1,0,0,0,1|0,1,1]=4 42 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O CP00404 [0,1,0,0,0,1|0,1,1]=4 43 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(N)=O CP27270 [0,1,0,0,0,1|0,1,1]=4 44 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(=O)O CP25735 [0,2,0,0,0,0|1,0,0]=3 45 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(N)=O CP27222 [0,2,0,0,0,0|2,0,0]=4 46 B11R0.115 CNC(=O)[C@@H](NC(C)=O)C(C)C CP26602 [0,2,0,0,0,0|2,0,0]=4 47 B11R0.115 COC(=O)[C@@H](NC(C)=O)C(C)C CP25378 [0,2,0,0,0,0|1,0,0]=3 48 B11R0.115 COC(=O)[C@@H](NC(C)=O)[C@@H](C)O CP26852 [0,2,0,0,0,0|0,1,0]=3 49 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O CP08504 [0,2,0,0,0,0|1,0,0]=3 50 B11R0.160 CSCCC(NC(C)=O)C(=O)O CP26193 [0,2,0,0,0,0|0,0,0]=2 51 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O CP25383 [0,2,0,0,0,0|0,0,0]=2 52 B11R0.160 CSCC[C@H](NC(C)=O)C(=O)O CP01504 [0,2,0,0,0,0|0,0,0]=2 53 B11R0.160 CSCC[C@H](NC(C)=O)C(N)=O CP26832 [0,2,0,0,0,0|1,0,0]=3 54 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O CP27731 [0,2,0,0,0,0|1,0,0]=3 55 B9R1.6 O=C(O)C1CCCCN1 CP22501 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.6 O=C(O)C1CCCCN1 CP27188 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.6 O=C(O)[C@@H]1CCCCN1 CP25459 [1,0,0,1,0,0|1,0,1]=4 58 B9R1.35 NC1=NC(C(=O)O)CS1 CP25616 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CP23101 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CP25835 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CP26611 [1,0,0,1,0,0|0,0,0]=2 62 B11R1.178 CC(=O)N1CCCC1C(=O)O CP26171 [0,1,0,1,0,0|1,0,0]=3 63 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CP25924 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CP01704 [0,1,0,1,0,0|1,0,0]=3 65 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O CP25428 [0,1,0,1,0,0|2,0,0]=4 66 B7R0.16 NC(C(=O)O)C(=O)O CP04101 [1,0,0,0,1,0|2,0,0]=4 67 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CP26697 [1,0,0,0,0,1|2,0,0]=4 68 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CP27345 [1,0,0,0,0,1|2,0,0]=4 69 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CP25373 [1,0,0,0,0,1|2,0,0]=4