0 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,0,0,0,0,0|1,0,0]=1 4 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.8 CSCCC(N)C(=O)O TJO2742 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.28 NC(=O)NCCC(=O)O T4919 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.28 O=C(O)CCCC(=O)O T4794 [1,0,0,0,0,0|0,0,0]=1 14 B10R0.82 NCC(O)CCC(N)C(=O)O T4937 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.92 NC(COP(=O)(O)O)C(=O)O T5057 [0,1,0,0,0,0|2,0,0]=3 16 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O T1324 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.23 C=C(CC(=O)O)C(=O)O T4837 [0,0,0,0,1,0|1,0,1]=3 18 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,0,0,0,1,0|3,0,0]=4 19 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,0,0,0,1,0|2,0,1]=4 20 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,0,0,0,1,0|2,0,1]=4 21 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,0,0,0,1,0|1,0,0]=2 22 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,0,0,0,1,0|0,0,0]=1 23 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,0,0,0,1,0|0,0,0]=1 24 B8R0.23 O=C(O)CC(=O)C(=O)O T4862 [0,0,0,0,1,0|1,0,1]=3 25 B8R0.23 O=C(O)CC(O)C(=O)O T2S0850 [0,0,0,0,1,0|1,0,0]=2 26 B8R0.23 O=C(O)C[C@H](O)C(=O)O T4838 [0,0,0,0,1,0|1,0,0]=2 27 B10R0.98 NC(CCCC(=O)O)C(=O)O T4705 [0,0,0,0,0,1|0,0,0]=1 28 B10R0.98 O=C(O)CCCC(=O)C(=O)O T4921 [0,0,0,0,0,1|1,0,1]=3 29 B7R0.4 CCCCCC(=O)O T3944 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.4 NCCCCC(=O)O T5089 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.5 CCC[C@H](N)C(=O)O T4788 [2,0,0,0,0,0|0,0,1]=3 32 B7R0.5 NC(CCS)C(=O)O T4863 [2,0,0,0,0,0|0,1,0]=3 33 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [2,0,0,0,0,0|0,0,0]=2 34 B7R0.6 O=C(O)CCC(=O)O BBP02045 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.6 O=C(O)CCC(=O)O T2719 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.6 O=C(O)CC[N+](=O)[O-] BBP03547 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.47 C=CCSC[C@H](N)C(=O)O T2772 [1,1,0,0,0,0|1,0,0]=3 39 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [1,1,0,0,0,0|1,0,1]=4 40 B9R0.1 COC(=O)CCCC(=O)O T4764 [1,1,0,0,0,0|0,0,0]=2 41 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [1,1,0,0,0,0|0,0,0]=2 42 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O T5083 [0,1,0,0,1,0|1,0,0]=3 43 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O T2P2919 [0,1,0,0,1,0|1,0,1]=4 44 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O T4906 [0,1,0,0,1,0|1,0,0]=3 45 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O T5059 [0,1,0,0,1,0|1,0,0]=3 46 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O TL0001 [0,1,0,0,0,1|0,0,1]=3 47 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O T2800 [0,2,0,0,0,0|1,0,0]=3 48 B9R1.6 O=C(O)C1CCCCN1 T4819 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [1,0,0,1,0,0|0,0,0]=2 51 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [1,0,0,1,0,0|0,0,0]=2 52 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,0,0,0,2,0|1,0,0]=3 53 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,0,0,0,2,0|1,0,1]=4 54 B9R0.55 CC(=O)NCCCC(=O)O T4728 [1,0,0,0,0,1|1,0,0]=3 55 B9R0.55 N=C(N)NCCCC(=O)O T4927 [1,0,0,0,0,1|2,0,0]=4 56 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O T0670 [0,0,0,0,0,2|2,0,0]=4 57 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O T3S0364 [0,0,0,0,0,2|2,0,0]=4 58 B11R0.29 NC(=O)NCCCC(N)C(=O)O T2931 [0,0,0,0,0,2|1,0,0]=3 59 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O T4813 [0,0,0,0,0,2|1,0,0]=3