0 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.1 COC1CCC(=O)N1 BBP00214 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.1 O=C1CC[C@H](CO)C1 BBP00686 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.7 O=C(O)[C@@H]1CCCN1 BBP00795 [1,0,0,0,0,0|0,0,1]=2 7 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,0,0,0|0,0,1]=2 8 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 BBP03108 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,0,1,0,0,0|1,0,1]=3 10 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,0,1,0,0,0|2,0,0]=3 11 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,0,1,0,0,0|1,0,1]=3 14 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,0,1,0,0,0|1,0,1]=3 15 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,0,1,0,0,0|1,0,1]=3 16 B8R0.9 COC(=O)CCC(C)=O BBP00556 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,0,1,0,0,0|2,0,0]=3 18 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,0,1,0,0,0|0,0,0]=1 19 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.23 O=C(O)CC(O)C(=O)O T2S0850 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.23 O=C(O)C[C@H](O)C(=O)O T4838 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,0,1,0,0,0|1,0,0]=2 25 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,0,1,0,0,0|1,0,0]=2 26 B10R1.113 CC1=NCCC(C(=O)O)N1 BBP04055 [0,0,0,0,0,1|1,0,0]=2 27 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,0,0,0,0,1|1,0,1]=3 28 B7R0.4 CCCCCC(=O)O T3944 [1,0,1,0,0,0|1,0,1]=4 29 B7R0.4 NCCCCC(=O)O T5089 [1,0,1,0,0,0|0,0,1]=3 30 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,0,1,0,0,0|0,0,1]=3 31 B7R0.5 NC(CCS)C(=O)O T4863 [1,0,1,0,0,0|0,1,0]=3 32 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,0,1,0,0,0|0,0,1]=3 33 B7R0.6 CC(=O)NCC(=O)O T4822 [1,0,1,0,0,0|0,0,0]=2 34 B7R0.6 O=C(O)CCC(=O)O BBP02045 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.6 O=C(O)CCC(=O)O T2719 [1,0,1,0,0,0|2,0,0]=4 36 B7R1.2 O=C1CCC(O)N1 BBP01947 [2,0,0,0,0,0|0,0,0]=2 37 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,1,1,0,0,0|1,0,0]=3 38 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,1,1,0,0,0|0,0,0]=2 39 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,1,1,0,0,0|0,0,0]=2 40 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,1,1,0,0,0|0,0,0]=2 41 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,1,0,0,0|0,0,0]=2 42 B9R0.47 C=CCSC[C@H](N)C(=O)O T2772 [0,1,1,0,0,0|1,0,0]=3 43 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [0,1,1,0,0,0|1,0,1]=4 44 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O T0875 [0,1,1,0,0,0|1,0,0]=3 45 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,1,1,0,0,0|1,0,0]=3 46 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [0,1,1,0,0,0|1,0,0]=3 47 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 T4880 [0,1,0,0,0,1|0,0,1]=3 48 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,1,1,0,0|1,0,1]=4 49 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,1,1,0,0|1,0,1]=4 50 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,0,1,0,1,0|1,0,0]=3 51 B9R0.55 CC(=O)NCCCC(=O)O T4728 [0,0,1,0,0,1|1,0,0]=3 52 B9R0.55 N=C(N)NCCCC(=O)O T4927 [0,0,1,0,0,1|1,0,0]=3