0 B9R0.13 CCCC[C@H](C(=O)O)NC DNM [0,0,0,0,0,0|3,0,0]=3 1 B9R0.13 CN[C@@H](CCSC)C(=O)O MME [0,0,0,0,0,0|4,0,0]=4 2 B8R0.8 C(C[C@@H](C(=O)O)N)CN ORN [1,0,0,0,0,0|3,0,0]=4 3 B8R0.8 C(C[C@@H](C(=O)O)N)CO AA4 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.8 C(C[C@@H](C(=O)O)N)CO DHN [1,0,0,0,0,0|3,0,0]=4 5 B8R0.8 C(C[C@H](C(=O)O)N)CN ORD [1,0,0,0,0,0|3,0,0]=4 6 B8R0.8 CCCC[C@@H](C(=O)N)N NLN [1,0,0,0,0,0|2,0,0]=3 7 B8R0.8 CCCC[C@@H](C(=O)O)N NLE [1,0,0,0,0,0|2,0,0]=3 8 B8R0.8 CCCC[C@H](C(=O)N)O HYH [1,0,0,0,0,0|1,0,0]=2 9 B8R0.8 CCCC[C@H](C(=O)O)N DNE [1,0,0,0,0,0|2,0,0]=3 10 B8R0.8 CCSC[C@@H](C(=O)O)N ECX [1,0,0,0,0,0|3,0,0]=4 11 B8R0.8 CSCC[C@@H](C(=O)O)N MET [1,0,0,0,0,0|3,0,0]=4 12 B8R0.8 CSCC[C@@H](C(=O)O)N MET_LFOH [1,0,0,0,0,0|3,0,0]=4 13 B8R0.8 CSCC[C@@H](C(=O)O)[NH-] MET_LEO2H [1,0,0,0,0,0|3,0,0]=4 14 B8R0.8 CSCC[C@@H](C(=O)[O-])[NH-] MET_LEO2 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.8 CSCC[C@@H](C(=O)[O-])[NH3+] MET_LFZW [1,0,0,0,0,0|3,0,0]=4 16 B8R0.8 CSCC[C@H](C(=O)O)N MED [1,0,0,0,0,0|3,0,0]=4 17 B8R0.8 C[Se]CC[C@@H](C(=O)O)N MSE [1,0,0,0,0,0|3,0,0]=4 18 B8R0.11 CCCC[C@H](CC)CO 2EH [1,0,0,0,0,0|0,0,1]=2 19 B10R0.53 CC[C@@H](C)C[C@@H](C(=O)O)NC MNL [0,1,0,0,0,0|3,0,0]=4 20 B10R0.53 CC[C@@H](C)C[C@@H](CC)C(C)C 3MV [0,1,0,0,0,0|2,0,1]=4 21 B10R0.88 CCCC[C@H](C(=O)O)NC=O DNG [0,1,0,0,0,0|1,0,2]=4 22 B10R1.13 C1CC(CCC1C(=O)O)N 6RK [0,0,0,1,0,0|3,0,0]=4 23 B7R0.3 C(C[C@@H](CO)O)CO XXD [2,0,0,0,0,0|1,0,1]=4 24 B7R0.3 CCCC[C@@H](C=O)N LYW [2,0,0,0,0,0|1,0,0]=3 25 B7R0.3 CCCC[C@@H](CO)N 2AO [2,0,0,0,0,0|1,0,0]=3 26 B7R0.3 CCCC[C@@H](CO)O 0RE [2,0,0,0,0,0|0,0,1]=3 27 B7R0.3 CCCC[C@H](CO)O 7FB [2,0,0,0,0,0|0,0,1]=3 28 B7R0.4 C(CCO)CC(=O)O SHO [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 C(CC[NH3+])CC(=O)O DAV [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CCCCCC(=O)C HTX [2,0,0,0,0,0|0,0,0]=2 31 B7R0.4 CCCCCC(=O)O 6NA [2,0,0,0,0,0|1,0,0]=3 32 B7R0.4 CCCCOC(=O)C 8JZ [2,0,0,0,0,0|1,0,0]=3 33 B7R0.5 C(CN)[C@H](C(=O)O)O 42B [2,0,0,0,0,0|2,0,0]=4 34 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [2,0,0,0,0,0|2,0,0]=4 35 B7R0.5 CCC[C@@H](C(=O)O)N BTA [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CCC[C@@H](C(=O)O)N NVA [2,0,0,0,0,0|2,0,0]=4 37 B7R0.5 CCC[C@@H](C(=O)O)N RON [2,0,0,0,0,0|2,0,0]=4 38 B7R0.15 C([C@@H](CO)C(=O)O)N BSE [2,0,0,0,0,0|2,0,0]=4 39 B7R0.15 CN[C@@H](CO)C(=O)O 5JP [2,0,0,0,0,0|2,0,0]=4 40 B7R0.15 CN[C@H](CO)C(=O)O DSE [2,0,0,0,0,0|2,0,0]=4 41 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HLX [1,1,0,0,0,0|2,0,0]=4 42 B9R0.8 CCCC[C@@H](C(=O)OC)N NLO [1,1,0,0,0,0|1,0,0]=3 43 B9R0.8 CCCC[C@@H]([C@@H](CO)O)O HT3 [1,1,0,0,0,0|0,0,2]=4 44 B9R0.8 CCCC[C@H]([C@@H](CO)O)O HTO [1,1,0,0,0,0|0,0,2]=4 45 B9R0.8 CCCC[C@H]([C@H](CO)O)O HTH [1,1,0,0,0,0|0,0,2]=4 46 B9R0.47 C(CCN)C[C@@H](C(=O)O)N LYS_LFOH_DHZ3 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.47 C(CCN)C[C@@H](C(=O)O)[NH-] LYS_LEO2H_DHZ3 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.47 C(CCN)C[C@@H](C(=O)[O-])[NH-] LYS_LEO2_DHZ3 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.47 C(CCN)C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW_DHZ3 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.47 C(CCN)C[C@H](C(=O)O)N DLY [1,1,0,0,0,0|2,0,0]=4 51 B9R0.47 C(CCO)C[C@@H](C(=O)O)N LDO [1,1,0,0,0,0|2,0,0]=4 52 B9R0.47 C(CCO)C[C@H](C(=O)O)N DDO [1,1,0,0,0,0|2,0,0]=4 53 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)N)N LYN [1,1,0,0,0,0|2,0,0]=4 54 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)N LYS [1,1,0,0,0,0|2,0,0]=4 55 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)N LYS_LFOH [1,1,0,0,0,0|2,0,0]=4 56 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)[NH-] LYS_LEO2H [1,1,0,0,0,0|2,0,0]=4 57 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-] LYS_LEO2 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW [1,1,0,0,0,0|2,0,0]=4 59 B9R0.47 CC(=O)[C@H](CCCCN)N CKC [1,1,0,0,0,0|1,0,0]=3 60 B9R0.47 CC(=O)[C@H](CCCCN)N LYM [1,1,0,0,0,0|1,0,0]=3 61 B9R0.47 CCCCC[C@@H](C(=O)O)N AHP [1,1,0,0,0,0|2,0,0]=4 62 B9R0.47 CCSCC[C@@H](C(=O)O)N ESC [1,1,0,0,0,0|2,0,0]=4 63 B9R0.51 CCCC[C@@](C)(C(=O)O)N MK8 [1,1,0,0,0,0|1,0,0]=3 64 B9R0.51 CCCC[C@](C)(C(=O)O)N 2JN [1,1,0,0,0,0|1,0,0]=3 65 B9R0.9 CCC[C@@H](CC)S(=O)(=O)C MSH [1,1,0,0,0,0|2,0,0]=4 66 B9R0.15 CCCC(CCC)C(=O)N VPR [1,1,0,0,0,0|2,0,0]=4 67 B9R0.15 CCCC(CCC)C(=O)O 2PP [1,1,0,0,0,0|2,0,0]=4 68 B9R0.39 CC(C)C[C@H](CN)C(=O)O 4L8 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.39 CC(C)C[C@H](CS)C(=O)O SLE [1,1,0,0,0,0|1,1,0]=4 70 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O AOR [0,1,0,0,0,1|1,0,1]=4 71 B11R0.160 CC(=O)N[C@@H](CCSC)C(=O)O AME [0,1,0,0,0,1|1,0,1]=4 72 B11R0.160 CCCC[C@H](CC(=O)O)C(=O)O SU8 [0,1,0,0,0,1|1,0,1]=4 73 B11R0.76 C(CC[C@@H](CS)C(=O)O)CCN DDW [0,2,0,0,0,0|1,1,0]=4 74 B11R0.76 C(CC[C@@H](C[SeH])C(=O)O)CCN DDK [0,2,0,0,0,0|1,1,0]=4 75 B9R1.6 C1CCC(CC1)C(=O)N WM2 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.6 C1CCN[C@@H](C1)C(=O)O YCP [1,0,0,1,0,0|2,0,0]=4 77 B9R1.6 C1CCN[C@H](C1)C(=O)O CPI [1,0,0,1,0,0|2,0,0]=4 78 B9R1.6 C1CNCCC1C(=O)O MN1 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O MP8 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.163 C1CCC(C1)(C(=O)O)N AC5 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.163 C1C[C@](NC1)(C(=O)O)O PXU [1,0,0,1,0,0|2,0,0]=4 82 B9R1.163 CC1(CCCC1)C(=O)O CCM [1,0,0,1,0,0|1,0,0]=3 83 B9R1.163 C[C@]1(CCCN1)C(=O)O 3WX [1,0,0,1,0,0|2,0,0]=4 84 B9R1.1 C1CC(CCC1CO)O HB0 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O HY3 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O XCP [1,0,0,1,0,0|2,0,0]=4 87 B11R1.3 C1CC(CCC1CN)C(=O)O AMH [0,1,0,1,0,0|2,0,0]=4 88 B11R1.737 C1CCCC(CC1)(C(=O)O)N 03E [0,1,0,1,0,0|2,0,0]=4