0 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T8095 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.7 CC(S)C(=O)NCC(=O)O T1630 [0,0,0,0,0,0|2,1,1]=4 5 B9R0.7 CS(=O)CCC(N)C(=O)O T19418 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O T19264 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.7 CS(=O)CC[C@H](N)C(=O)O T19397 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,0,0,0,0,0|2,0,1]=3 11 B9R0.7 NC(=O)NC[C@H](N)C(=O)O T20121 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,0,0,0,0,0|1,0,1]=2 13 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] T6871 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.7 N[C@H](CCC(=O)O)C(=O)O T10935 [0,0,0,0,0,0|1,0,1]=2 15 B9R0.7 O=C(O)CCC(=O)C(=O)O T5980 [0,0,0,0,0,0|0,0,0]=0 16 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] T4920 [0,0,0,0,0,0|0,0,1]=1 17 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] T6820 [0,0,0,0,0,0|0,0,4]=4 18 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] T13748 [0,0,0,0,0,0|0,0,4]=4 19 B8R0.9 C=CC(N)CCC(=O)O T0128 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.9 NCC(=O)CCC(=O)O T1662 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.9 NCC(=O)NCC(=O)O T5286 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.28 CC(=O)NCCC(=O)O T1373 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.28 N=C(N)NCCC(=O)O T7535 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.28 NC(=O)NCCC(=O)O T4919 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.28 O=C(O)CCCC(=O)O T4794 [1,0,0,0,0,0|0,0,1]=2 26 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O T22485 [0,1,0,0,0,0|1,0,1]=3 27 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O T15692 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O T22704 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.92 N[C@H](CC[P@](=O)([O-])O)C(=O)O T22731 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O T16963 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,0,0,1,0,0|1,0,2]=4 32 B8R0.23 C=C(CC(=O)O)C(=O)O T4837 [0,0,0,0,1,0|1,0,0]=2 33 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,0,0,0,1,0|2,0,1]=4 34 B8R0.23 CC(CC(=O)O)C(=O)O T5231 [0,0,0,0,1,0|1,0,1]=3 35 B8R0.23 C\C(=C/C(=O)O)C(=O)O T20880 [0,0,0,0,1,0|1,0,1]=3 36 B8R0.23 C\C(=C\C(=O)O)C(=O)O T4525 [0,0,0,0,1,0|1,0,1]=3 37 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,0,0,0,1,0|1,0,1]=3 40 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,0,0,0,1,0|1,0,1]=3 41 B8R0.23 O=C(O)CC(=O)C(=O)O T4862 [0,0,0,0,1,0|0,0,0]=1 42 B8R0.23 O=C(O)CC(O)C(=O)O T2S0850 [0,0,0,0,1,0|0,0,2]=3 43 B8R0.23 O=C(O)C[C@H](O)C(=O)O T4838 [0,0,0,0,1,0|0,0,2]=3 44 B10R0.96 CC(=O)CC(=O)CCC(=O)O T8273 [0,0,0,0,0,1|1,0,0]=2 45 B10R0.96 CC(CCC(=O)O)CC(=O)O T5253 [0,0,0,0,0,1|1,0,1]=3 46 B10R0.96 CN(C)NC(=O)CCC(=O)O T3719 [0,0,0,0,0,1|3,0,0]=4 47 B10R0.98 NC(CCCC(=O)O)C(=O)O T4705 [0,0,0,0,0,1|1,0,1]=3 48 B10R0.98 NC(CSCC(=O)O)C(=O)O T13440 [0,0,0,0,0,1|1,0,1]=3 49 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O T3612 [0,0,0,0,0,1|1,0,1]=3 50 B10R0.98 O=C(O)CCCC(=O)C(=O)O T4921 [0,0,0,0,0,1|0,0,0]=1 51 B7R0.5 CCCC(=O)C(=O)O T13484 [2,0,0,0,0,0|0,0,1]=3 52 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.6 CC(=O)CCC(=O)O T5551 [2,0,0,0,0,0|0,0,1]=3 54 B7R0.6 CC(=O)NCC(=O)O T4822 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.6 O=C(O)CCC(=O)O T2719 [2,0,0,0,0,0|0,0,0]=2 56 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [2,0,0,0,0,0|0,0,2]=4 58 B7R0.6 O=C(O)\C=C\C(=O)O T2769 [2,0,0,0,0,0|0,0,2]=4 59 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.6 O=C([O-])CCC(=O)[O-] T8073 [2,0,0,0,0,0|0,0,2]=4 61 B9R0.24 COC(=O)CCC(=O)CN T5002 [1,1,0,0,0,0|1,0,1]=4 62 B9R0.24 COC(=O)CCC(=O)OC T5696 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.1 COC(=O)CCCC(=O)O T4764 [1,1,0,0,0,0|0,0,1]=3 64 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.53 O=C(O)CC(=O)CC(=O)O T5614 [1,1,0,0,0,0|0,0,2]=4 66 B9R0.53 O=C(O)CC(O)CC(=O)O TQ0024 [1,1,0,0,0,0|0,0,1]=3 67 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,1,0,0,1,0|1,0,1]=4 68 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O T22916 [0,1,0,0,1,0|0,0,2]=4 69 B9R0.79 O=C(O)C(O)C(O)C(=O)O T5803 [0,1,0,0,1,0|0,0,2]=4 70 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O T5062 [0,1,0,0,1,0|0,0,2]=4 71 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O T19182 [0,1,0,0,1,0|0,0,2]=4 72 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O T4906 [0,1,0,0,1,0|0,0,2]=4 73 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O T5059 [0,1,0,0,1,0|0,0,2]=4 74 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O TN1595 [0,1,0,0,1,0|0,0,2]=4 75 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O T2552 [0,1,0,0,1,0|0,1,1]=4 76 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O T4931 [0,1,0,0,1,0|0,0,2]=4 77 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O TL0001 [0,1,0,0,0,1|0,0,0]=2 78 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC T7658 [0,2,0,0,0,0|1,0,1]=4 79 B11R0.120 COC(=O)CNC(=O)C(=O)OC T1939 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [1,0,0,1,0,0|1,0,1]=4 82 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 T4880 [0,0,0,1,0,1|1,0,0]=3 83 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 T22918 [0,0,0,1,0,1|1,0,1]=4 84 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O T22912 [0,0,0,1,0,1|1,0,1]=4 85 B11R1.704 [C@@H](N)(C(=O)O)[C@H]1C[C@H]1C(=O)O T22913 [0,0,0,1,0,1|1,0,1]=4 86 B11R1.1389 N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1 T3471 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.1389 N[C@]1(C(=O)O)C[C@H](C(=O)O)C1 T3470 [0,1,0,1,0,0|1,0,1]=4 88 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,0,0,0,2,0|1,0,1]=4 89 B7R0.16 NC(C(=O)O)C(=O)O T5244 [0,0,0,0,2,0|1,0,1]=4 90 B9R0.55 CC(=O)NCCCC(=O)O T4728 [1,0,0,0,0,1|1,0,1]=4 91 B9R0.55 O=C(O)CCCCC(=O)O T2228 [1,0,0,0,0,1|0,0,1]=3 92 B9R0.55 O=C(O)CCCCC(=O)O T7146 [1,0,0,0,0,1|0,0,1]=3 93 B9R0.55 O=C(O)C\C=C\CC(=O)O T5246 [1,0,0,0,0,1|0,0,1]=3 94 B9R0.55 O=C(O)\C=C/C=C/C(=O)O T5588 [1,0,0,0,0,1|0,0,2]=4 95 B9R0.55 O=C(O)\C=C\C=C\C(=O)O T7154 [1,0,0,0,0,1|0,0,2]=4