0 B6R0.4 CCCCC(=O)O T4792 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 NCCCC(=O)O T0508 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 CC(C)=CCO T4747 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CCCC(=O)O T3943 [1,0,0,0,0,0|1,0,0]=2 4 B5R0.1 NCCC(=O)O T0627 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 COC(=O)CC(C)=O T4851 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.4 CCCCCC(=O)O T3944 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.4 NCCCCC(=O)O T5089 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.5 CCC[C@H](N)C(=O)O T4788 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.5 NC(CCS)C(=O)O T4863 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.6 CC(=O)NCC(=O)O T4822 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.2 O=C1CCC(O)N1 BBP01947 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.3 O=C1C=CCCN1 BBP02874 [0,0,0,1,0,0|1,0,2]=4 14 B4R0.1 CCC(=O)O T4908 [2,0,0,0,0,0|1,0,0]=3 15 B4R0.1 NCC(=O)O T2O2728 [2,0,0,0,0,0|2,0,0]=4 16 B4R0.2 CCCCO T7023 [2,0,0,0,0,0|0,0,2]=4 17 B6R0.2 CC(C)CC(N)=O T0361 [1,1,0,0,0,0|1,0,0]=3 18 B6R0.2 CC(O)CC(=O)O T4947 [1,1,0,0,0,0|1,0,0]=3 19 B6R0.3 CC(CN)C(=O)O T4887 [1,1,0,0,0,0|2,0,0]=4 20 B6R0.3 CCC(=O)C(=O)O T5060 [1,1,0,0,0,0|1,0,1]=4 21 B6R0.3 CCC(O)C(=O)[O-] T4738 [1,1,0,0,0,0|1,0,0]=3 22 B6R0.3 NCC(N)C(=O)O T4755 [1,1,0,0,0,0|2,0,0]=4 23 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.6 OCCSCCO T0329 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,2,0,0,0,0|2,0,0]=4 27 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,2,0,0,0,0|2,0,0]=4 28 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,2,0,0,0,0|2,0,0]=4 29 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,2,0,0,0,0|2,0,0]=4 30 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,2,0,0,0,0|2,0,0]=4 31 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,2,0,0,0,0|2,0,0]=4 32 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,2,0,0,0,0|2,0,0]=4 33 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,2,0,0,0,0|2,0,0]=4 34 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,2,0,0,0,0|2,0,0]=4 36 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.9 COC(=O)CCC(C)=O BBP00556 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.7 CCCCCCC(=O)O T3945 [0,2,0,0,0,0|2,0,0]=4 39 B6R1.2 O=C1CCCC1 T4800 [1,0,0,1,0,0|0,0,0]=2 40 B8R1.1 COC1CCC(=O)N1 BBP00214 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.1 O=C1CC[C@H](CO)C1 BBP00686 [0,1,0,1,0,0|1,0,0]=3 42 B8R1.7 O=C(O)[C@@H]1CCCN1 BBP00795 [0,1,0,1,0,0|2,0,0]=4 43 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|2,0,0]=4