0 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O F11099 [0,0,0,0,0,0|0,1,0]=1 1 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O C10312 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.15 CC[C@H](NC=O)C(=O)O D90633 [1,0,0,0,0,0|1,0,0]=2 3 B8R0.16 C=C[C@H](CC)OC(C)=O D88448 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.23 C=C(C)C[C@H](N)C(=O)O A50369 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.23 CC(=O)N[C@@H](C)C(C)=O 59332 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl T71024 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.23 C[C@@H](CC(=O)Cl)C(=O)Cl 30275 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.23 O=C(O)C[C@H](O)C(=O)O D91963 [1,0,0,0,0,0|2,1,0]=4 9 B10R0.53 CC[C@H](NC(=O)CCl)C(=O)O D89281 [0,1,0,0,0,0|1,0,0]=2 10 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O D90724 [0,1,0,0,0,0|0,1,0]=2 11 B10R0.53 O=C(CCl)N[C@@H](CO)C(=O)O D89198 [0,1,0,0,0,0|0,1,0]=2 12 B10R0.162 CC(C)N[C@H](C(=O)O)C(C)C E72439 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.30 O=C1CNC(=O)[C@H](CO)N1 78188 [0,0,0,1,0,0|1,1,0]=3 14 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 D95444 [0,0,0,1,0,0|1,0,1]=3 15 B8R0.18 CCC(C(C)=O)C(C)=O D90505 [0,0,0,0,1,0|2,0,0]=3 16 B7R0.5 CCO[C@@H](C)C(=O)O AC6305 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.15 CN[C@@H](CO)C(=O)O F10793 [2,0,0,0,0,0|0,1,0]=3 18 B7R0.6 CC(=O)COC(C)=O D88372 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.6 NC(=O)CCC(=O)O H12054 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.6 NC(=O)SCC(=O)O E72504 [2,0,0,0,0,0|2,0,0]=4 21 B9R0.33 CC(C)[C@H](NC=O)C(=O)O D90634 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.42 C[C@H](NC(=O)CN)C(=O)O FD21063 [1,1,0,0,0,0|0,0,0]=2 23 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O D88313 [0,2,0,0,0,0|1,0,0]=3 24 B11R0.160 CSCC[C@H](NC(C)=O)C(=O)O F10652 [0,2,0,0,0,0|0,0,0]=2 25 B11R0.160 CSCC[C@H](NC(C)=O)C(N)=O F10781 [0,2,0,0,0,0|1,0,0]=3 26 B11R0.236 CCC[C@H](NC(=O)CN)C(=O)O T72091 [0,2,0,0,0,0|1,0,0]=3 27 B11R0.108 C[C@@H](O)[C@H](NC(=O)CN)C(=O)O D90717 [0,2,0,0,0,0|0,1,0]=3 28 B11R0.56 CCOC(=O)[C@@H](C#N)NC(C)=O F12299 [0,2,0,0,0,0|1,0,1]=4 29 B9R1.6 O=C(O)[C@@H]1CNCCN1 65133 [1,0,0,1,0,0|1,0,1]=4 30 B9R1.6 O=C(O)[C@@H]1CNCCN1 65231 [1,0,0,1,0,0|1,0,1]=4 31 B9R1.6 O=C(O)[C@@H]1CNCCN1 AT10767 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.35 O=C1N[C@H](C(=O)O)CS1 AT20226 [1,0,0,1,0,0|0,0,0]=2 33 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O 20428 [0,0,0,1,0,1|0,1,1]=4 34 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 D72863 [0,1,0,1,0,0|1,1,0]=4 35 B9R0.7 CC(=O)SC[C@H](C)C(=O)O D88420 [1,0,0,0,0,1|1,0,0]=3 36 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O D91481 [1,0,0,0,0,1|2,0,0]=4