0 B6R0.2 CC(C)=CC(=O)O BBP04714 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.2 CC(C)CC(N)=O T0361 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(O)CC(=O)O T4947 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CC(C)=CCO T4747 [1,0,0,0,0,0|0,0,3]=4 4 B5R0.1 CCCC(=O)O T3943 [1,0,0,0,0,0|0,0,0]=1 5 B5R0.1 NCCC(=O)O T0627 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.2 COC(=O)CC(C)=O T4851 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.9 CC(=O)CC(C)(C)N BBP01274 [0,1,0,0,0,0|1,0,0]=2 8 B7R0.9 CC(C)(O)CC(=O)O T0613 [0,1,0,0,0,0|0,0,0]=1 9 B7R0.9 C[N+](C)(C)CC(=O)O T0019 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.9 C[N+](C)(C)CC(=O)[O-] T3243 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.9 O=C(O)CP(=O)(O)O T4729 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [0,1,0,0,0,0|0,0,0]=1 14 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.2 O=C1CCC(O)N1 BBP01947 [0,0,0,1,0,0|3,0,0]=4 16 B5R0.5 CC(=O)C(=O)O T4804 [0,0,0,0,1,0|1,0,1]=3 17 B5R0.5 CC(=O)C(C)=O T4774 [0,0,0,0,1,0|2,0,1]=4 18 B5R0.5 CC(C)C(=O)O T4769 [0,0,0,0,1,0|0,0,0]=1 19 B5R0.5 C[C@@H](N)C(=O)O T4811 [0,0,0,0,1,0|1,0,0]=2 20 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [0,0,0,0,1,0|2,0,1]=4 21 B5R0.5 C[C@H](N)C(=O)O TJO2729 [0,0,0,0,1,0|1,0,0]=2 22 B5R0.5 C[C@H](O)C(=O)O T4845 [0,0,0,0,1,0|1,0,0]=2 23 B5R0.5 O=C(O)C(=O)O T2O2680 [0,0,0,0,1,0|2,0,1]=4 24 B5R0.5 O=C(O)C(=O)O T5064 [0,0,0,0,1,0|2,0,1]=4 25 B7R0.6 CC(=O)NCC(=O)O T4822 [0,0,0,0,0,1|1,0,1]=3 26 B7R0.6 O=C(O)CCC(=O)O BBP02045 [0,0,0,0,0,1|2,0,1]=4 27 B7R0.6 O=C(O)CCC(=O)O T2719 [0,0,0,0,0,1|2,0,1]=4 28 B7R0.6 O=C(O)CC[N+](=O)[O-] BBP03547 [0,0,0,0,0,1|3,0,0]=4 29 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [0,0,0,0,0,1|3,0,0]=4 30 B4R0.1 CCC(=O)O T4908 [2,0,0,0,0,0|0,0,0]=2 31 B4R0.1 NCC(=O)O T2O2728 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.1 O=CC(=O)O T4843 [2,0,0,0,0,0|1,0,1]=4 33 B4R0.2 CCCCO T7023 [2,0,0,0,0,0|0,0,1]=3 34 B6R0.3 CC(CN)C(=O)O T4887 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.3 CCC(=O)C(=O)O T5060 [1,1,0,0,0,0|0,0,1]=3 36 B6R0.3 CCC(O)C(=O)[O-] T4738 [1,1,0,0,0,0|0,0,1]=3 37 B6R0.3 C\C=C(\C)C(=O)O T3328 [1,1,0,0,0,0|0,0,2]=4 38 B6R0.3 NCC(N)C(=O)O T4755 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [1,1,0,0,0,0|1,0,0]=3 41 B6R0.4 CCCCC(=O)O T4792 [1,1,0,0,0,0|0,0,0]=2 42 B6R0.4 NCCCC(=O)O T0508 [1,1,0,0,0,0|0,0,0]=2 43 B6R0.5 NCCP(=O)(O)O T4703 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.5 NCCS(=O)(=O)O T0022 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.7 CC(C)(N)C(=O)O T4831 [0,1,0,0,1,0|0,0,0]=2 46 B6R0.7 CC(C)(O)C(=O)O T4787 [0,1,0,0,1,0|0,0,0]=2 47 B8R0.9 COC(=O)CCC(C)=O BBP00556 [0,1,0,0,0,1|1,0,1]=4 48 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,1,0,0,0,1|1,0,1]=4 49 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,1,0,0,0,1|1,0,1]=4 50 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,0,1|0,0,0]=2 51 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,1,0,0,0,1|0,0,0]=2 52 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,0,0,0,1|0,0,0]=2 53 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,2,0,0,0,0|0,0,0]=2 54 B8R0.5 CCOC(=O)CC(=O)O T4773 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O T0983 [0,2,0,0,0,0|0,0,0]=2 56 B6R1.2 O=C1CCCC1 T4800 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.1 COC1CCC(=O)N1 BBP00214 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.1 O=C1CC[C@H](CO)C1 BBP00686 [0,1,0,1,0,0|1,0,0]=3