0 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 O=C(O)C1CSCN1 T0221 [1,0,0,0,0,0|1,0,0]=2 5 B8R1.7 O=C(O)C1CSSC1 T10388 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,0,0,0|0,0,0]=1 7 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [1,0,0,0,0,0|0,0,0]=1 8 B8R1.7 O=C(O)[C@@H]1CSCN1 T4292 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.8 CCCCC(O)C(=O)O T5224 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,0,1,0,0,0|3,0,0]=4 13 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.9 C=CC(N)CCC(=O)O T0128 [0,0,1,0,0,0|2,0,1]=4 16 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,0,1,0,0,0|0,0,2]=3 17 B8R0.9 NCC(=O)NCC(=O)O T5286 [0,0,1,0,0,0|1,0,2]=4 18 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,0,1,0,0,0|2,0,1]=4 19 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,0,1,0,0,0|1,0,0]=2 20 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.23 CC(C)C[C@H](O)C(=O)O T5294 [0,0,1,0,0,0|2,0,0]=3 22 B8R0.23 CC(CC(=O)O)C(=O)O T5231 [0,0,1,0,0,0|2,0,1]=4 23 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,0,1,0,0,0|1,0,2]=4 24 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [0,0,1,0,0,0|1,0,2]=4 25 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,0,1,0,0,0|1,0,1]=3 26 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,0,1,0,0,0|1,0,1]=3 27 B8R0.23 O=C(O)CC(O)C(=O)O T2S0850 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.23 O=C(O)C[C@H](O)C(=O)O T4838 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,0,0,0,0,1|1,0,0]=2 31 B7R0.4 NCCCCC(=O)O T5089 [1,0,1,0,0,0|0,0,0]=2 32 B7R0.5 CCCC(=O)C(=O)O T13484 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.5 CCCC(C)C(=O)O T5685 [1,0,1,0,0,0|1,0,0]=3 34 B7R0.5 CCCC(N)C(=O)O T11054 [1,0,1,0,0,0|0,0,0]=2 35 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,0,1,0,0,0|0,0,0]=2 36 B7R0.5 CNC[C@H](N)C(=O)O T22911 [1,0,1,0,0,0|1,0,0]=3 37 B7R0.5 CSC[C@H](N)C(=O)O T8072 [1,0,1,0,0,0|1,0,0]=3 38 B7R0.5 NC(CCS)C(=O)O T4863 [1,0,1,0,0,0|0,1,0]=3 39 B7R0.5 NCC[C@H](N)C(=O)O T7595 [1,0,1,0,0,0|1,0,0]=3 40 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,0,1,0,0,0|0,0,0]=2 41 B7R0.6 CC(=O)CCC(=O)O T5551 [1,0,1,0,0,0|0,0,2]=4 42 B7R0.6 O=C(O)CCC(=O)O T2719 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,1,1,0,0,0|1,0,1]=4 45 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,1,1,0,0,0|1,0,1]=4 46 B9R0.42 OCC(=O)OC(C)C(=O)O T19521 [0,1,1,0,0,0|1,0,1]=4 47 B9R0.24 COC(=O)CCC(=O)CN T5002 [0,1,1,0,0,0|0,0,2]=4 48 B9R0.15 CCCC(CCC)C(=O)O T6474 [0,1,1,0,0,0|2,0,0]=4 49 B9R0.15 CCCC(CCC)C(=O)O T7064 [0,1,1,0,0,0|2,0,0]=4 50 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,1,1,0,0,0|0,0,1]=3 51 B9R0.57 NC(CP(=O)(O)O)C(=O)O T22730 [0,1,1,0,0,0|2,0,0]=4 52 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O T5083 [0,1,1,0,0,0|2,0,0]=4 53 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O T7448 [0,1,1,0,0,0|0,0,0]=2 54 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O T2P2919 [0,1,1,0,0,0|0,0,0]=2 55 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O T22916 [0,1,1,0,0,0|1,0,1]=4 56 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 T0949 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 T22918 [0,2,0,0,0,0|0,0,0]=2 58 B9R1.6 O=C(O)C1CCCCC1 T5563 [0,0,1,1,0,0|2,0,0]=4 59 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,1,1,0,0|1,0,0]=3 60 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,1,1,0,0|1,0,0]=3 61 B9R1.6 O=C(O)[C@@H]1CCCNC1 T22482 [0,0,1,1,0,0|2,0,0]=4 62 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [0,0,1,1,0,0|1,0,0]=3 63 B7R0.16 CC(C)C(O)C(=O)O T5273 [0,0,1,0,1,0|2,0,0]=4 64 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [0,0,1,0,1,0|1,0,0]=3 65 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,0,1,0,1,0|0,0,0]=2 66 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O T21248 [0,0,1,0,1,0|0,0,0]=2 67 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T5076 [0,0,1,0,1,0|0,0,0]=2 68 B7R0.16 NC(C(=O)O)C(=O)O T5244 [0,0,1,0,1,0|1,0,1]=4 69 B7R1.18 O=C(O)C1CCN1 T8100 [1,0,0,0,1,0|0,0,0]=2