0 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T8095 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 CS(=O)CCC(N)C(=O)O T19418 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O T19264 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.7 CS(=O)CC[C@H](N)C(=O)O T19397 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.7 C[S+](C)CCC(N)C(=O)O T7908 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,0,0,0,0,0|3,0,0]=3 11 B9R0.7 NC(=O)NC[C@H](N)C(=O)O T20121 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] T6871 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.7 N[C@H](CCC(=O)O)C(=O)O T10935 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.8 CCCCC(O)C(=O)O T5224 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.8 CSCCC(N)C(=O)O TJO2742 [1,0,0,0,0,0|0,0,1]=2 18 B8R0.8 CSCCC(O)C(=O)[O-] T5082 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [1,0,0,0,0,0|0,0,1]=2 20 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [1,0,0,0,0,0|0,1,0]=2 21 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [1,0,0,0,0,0|0,1,0]=2 22 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.28 CC(=O)NCCC(=O)O T1373 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.28 O=C(O)CCCC(=O)O T4794 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O T22485 [0,1,0,0,0,0|3,0,0]=4 28 B10R0.82 NCC(O)CCC(N)C(=O)O T4937 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O T15692 [0,1,0,0,0,0|3,0,0]=4 30 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O T22704 [0,1,0,0,0,0|3,0,0]=4 31 B10R0.92 N[C@H](CC[P@](=O)([O-])O)C(=O)O T22731 [0,1,0,0,0,0|3,0,0]=4 32 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O T16963 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,0,0,1,0,0|3,0,0]=4 34 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,0,0,0,1,0|2,0,1]=4 35 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,0,0,0,1,0|1,0,0]=2 36 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,0,0,0,1,0|1,0,0]=2 37 B8R0.23 CC(C)C[C@H](O)C(=O)O T5294 [0,0,0,0,1,0|2,0,0]=3 38 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,0,0,0,1,0|3,0,0]=4 39 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [0,0,0,0,1,0|3,0,0]=4 40 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,0,0,0,1,0|3,0,0]=4 41 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,0,0,0,1,0|3,0,0]=4 42 B10R0.98 NC(CCCC(=O)O)C(=O)O T4705 [0,0,0,0,0,1|3,0,0]=4 43 B10R0.98 NC(CSCC(=O)O)C(=O)O T13440 [0,0,0,0,0,1|3,0,0]=4 44 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O T3612 [0,0,0,0,0,1|3,0,0]=4 45 B7R0.4 NCCCCC(=O)O T5089 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.5 CCCC(=O)C(=O)O T13484 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.5 CCCC(C)C(=O)O T5685 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.5 CCCC(N)C(=O)O T11054 [2,0,0,0,0,0|0,0,0]=2 49 B7R0.5 CCC[C@H](N)C(=O)O T4788 [2,0,0,0,0,0|0,0,0]=2 50 B7R0.5 CNC[C@H](N)C(=O)O T22911 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.5 CSC[C@H](N)C(=O)O T8072 [2,0,0,0,0,0|0,0,1]=3 52 B7R0.5 NC(CCS)C(=O)O T4863 [2,0,0,0,0,0|0,0,1]=3 53 B7R0.5 NCC[C@H](N)C(=O)O T7595 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [2,0,0,0,0,0|0,1,0]=3 55 B9R0.47 C=CCSC[C@H](N)C(=O)O T2772 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.47 NCCCCC(N)C(=O)O T19290 [1,1,0,0,0,0|1,0,0]=3 57 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.47 NCCCC[C@H](N)C(=O)O T8071 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.47 NCCOC[C@H](N)C(=O)O T11795 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.1 COC(=O)CCCC(=O)O T4764 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.56 C[N+](C)(C)CCCC(=O)O T4702 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O T7448 [0,1,0,0,1,0|2,0,0]=4 63 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O T2P2919 [0,1,0,0,1,0|2,0,0]=4 64 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC T7658 [0,2,0,0,0,0|2,0,0]=4 65 B11R0.290 CP(=O)(O)CCC(N)C(=O)O[NH4] T15391 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O T2800 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.6 O=C(O)C1CCCCC1 T5563 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.6 O=C(O)C1CCCCN1 T4819 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.6 O=C(O)C1CCNCC1 T22348 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 T0949 [0,1,0,1,0,0|2,0,0]=4 75 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,0,0,0,1,0|1,0,1]=4 76 B7R0.16 CC(C)C(O)C(=O)O T5273 [0,0,0,0,2,0|2,0,0]=4 77 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [0,0,0,0,2,0|1,0,0]=3 78 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,0,0,0,2,0|2,0,0]=4 79 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O T21248 [0,0,0,0,2,0|2,0,0]=4 80 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T5076 [0,0,0,0,2,0|2,0,0]=4 81 B9R0.55 CC(=O)NCCCC(=O)O T4728 [1,0,0,0,0,1|2,0,0]=4 82 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O T11806 [0,0,0,0,0,2|2,0,0]=4