0 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CCCCCC(=O)O T3944 [1,0,0,0,0,0|0,0,0]=1 3 B7R0.4 NCCCCC(=O)O T5089 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,1,0,0,0,0|1,0,1]=3 5 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,1,0,0,0,0|2,0,1]=4 9 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.56 CC(=O)OCC[N+](C)(C)C T1221 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,0|3,0,0]=4 17 B7R0.6 CC(=O)NCC(=O)O T4822 [0,0,0,0,1,0|2,0,1]=4 18 B7R0.6 O=C(O)CCC(=O)O BBP02045 [0,0,0,0,1,0|2,0,1]=4 19 B7R0.6 O=C(O)CCC(=O)O T2719 [0,0,0,0,1,0|2,0,1]=4 20 B7R0.6 O=C(O)CC[N+](=O)[O-] BBP03547 [0,0,0,0,1,0|3,0,0]=4 21 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [0,0,0,0,1,0|3,0,0]=4 22 B9R0.55 CC(=O)NCCCC(=O)O T4728 [0,0,0,0,0,1|1,0,1]=3 23 B9R0.55 N=C(N)NCCCC(=O)O T4927 [0,0,0,0,0,1|2,0,1]=4 24 B6R0.4 CCCCC(=O)O T4792 [2,0,0,0,0,0|0,0,0]=2 25 B6R0.4 NCCCC(=O)O T0508 [2,0,0,0,0,0|1,0,0]=3 26 B8R0.5 CCOC(=O)CC(=O)O T4773 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.7 CCCCCCC(=O)O T3945 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [1,1,0,0,0,0|0,0,0]=2 29 B8R0.8 CSCCC(N)C(=O)O TJO2742 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.9 NCC(=O)CCC(=O)O T1662 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,1,0|0,0,1]=3 37 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,1,0,0,1,0|0,0,0]=2 38 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,0,0,1,0|0,0,0]=2 39 B10R0.82 NCC(O)CCC(N)C(=O)O T4937 [0,2,0,0,0,0|1,0,0]=3 40 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] T0743 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] BBP03305 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] T0846 [0,2,0,0,0,0|1,0,1]=4 43 B8R1.1 COC1CCC(=O)N1 BBP00214 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.1 O=C1CC[C@H](CO)C1 BBP00686 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.7 O=C(O)[C@@H]1CCCN1 BBP00795 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.113 CC1=NCCC(C(=O)O)N1 BBP04055 [0,0,0,1,0,1|1,0,1]=4 48 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,0,0,1,0,1|1,0,1]=4 49 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O BBP03936 [0,0,0,1,0,1|1,0,0]=3 50 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O T3251 [0,0,0,1,0,1|1,0,0]=3 51 B6R0.2 CC(C)=CC(=O)O BBP04714 [0,0,0,0,2,0|0,0,2]=4 52 B6R0.2 CC(C)CC(N)=O T0361 [0,0,0,0,2,0|1,0,0]=3 53 B6R0.2 CC(O)CC(=O)O T4947 [0,0,0,0,2,0|1,0,0]=3