0 B7R0.9 CC(C)(O)CC(=O)O T0613 [0,0,0,0,0,0|1,1,0]=2 1 B7R0.9 CC(O)CC(C)(C)O T0763 [0,0,0,0,0,0|0,1,2]=3 2 B7R0.9 C[N+](C)(C)CC(=O)O T0019 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 C[N+](C)(C)CC(=O)[O-] T3243 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(=O)CC(=O)[O-] T4854 [1,0,0,0,0,0|1,1,1]=4 5 B6R0.2 CC(C)=CC(=O)O T5305 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.2 CC(C)CC(=O)O T5609 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.2 CC(C)CC(N)=O T0361 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.2 CC(C)SC(=N)N T23300 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.2 CC(O)CC(=O)O T4947 [1,0,0,0,0,0|1,1,0]=3 10 B6R0.2 CN(C)CC(=O)O T4120 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.2 C[C@@H](O)CC(=O)O T5248 [1,0,0,0,0,0|1,1,0]=3 12 B6R0.2 C[C@H](O)CC(=O)O T13979 [1,0,0,0,0,0|1,1,0]=3 13 B8R0.27 CC(C)(S)C(N)C(=O)O T0983L [0,1,0,0,0,0|1,0,0]=2 14 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O T0983 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.7 CC(C)(N)C(=O)O T4831 [0,0,0,0,1,0|2,0,0]=3 16 B6R0.7 CC(C)(O)C(=O)O T4787 [0,0,0,0,1,0|1,1,0]=3 17 B5R0.1 CCCC(=O)[O-] T1393 [2,0,0,0,0,0|1,0,0]=3 18 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 CNCC(=O)O T6975 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.1 NCCC(=O)O T0627 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,1,0,0,0,0|1,0,1]=4 22 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|0,1,1]=4 23 B7R0.2 NCC(O)CC(=O)O T0028 [1,1,0,0,0,0|1,1,0]=4 24 B7R0.2 NC[C@@H](O)CC(=O)O T21409 [1,1,0,0,0,0|1,1,0]=4 25 B7R0.16 CC(C)C(=O)C(=O)O T5232 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.16 CC(C)C(O)C(=O)O T5273 [1,1,0,0,0,0|1,0,0]=3 27 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [1,1,0,0,0,0|1,1,0]=4 29 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O T21248 [1,1,0,0,0,0|1,1,0]=4 30 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T5076 [1,1,0,0,0,0|1,1,0]=4 31 B7R0.13 CCC(C)(O)C(=O)O T5550 [0,1,0,0,1,0|1,1,0]=4 32 B9R0.58 CC(O)(CCO)CC(=O)O T19426 [0,2,0,0,0,0|1,1,0]=4 33 B7R1.19 NC1(C(=O)O)CC1 T4752 [0,0,0,1,1,0|2,0,0]=4 34 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|0,1,0]=3 35 B9R1.138 CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,1,0,0|2,0,0]=4 36 B5R0.5 C[C@@H](N)C(=O)O T4811 [1,0,0,0,1,0|2,0,0]=4 37 B5R0.5 C[C@@H](O)C(=O)O T10943 [1,0,0,0,1,0|1,1,0]=4 38 B5R0.5 C[C@@H](O)C(=O)[O-] T5220 [1,0,0,0,1,0|1,1,0]=4 39 B5R0.5 C[C@H](N)C(=O)O TJO2729 [1,0,0,0,1,0|2,0,0]=4 40 B5R0.5 C[C@H](N)C(=O)O TN1003 [1,0,0,0,1,0|2,0,0]=4 41 B5R0.5 C[C@H](O)C(=O)O T4845 [1,0,0,0,1,0|1,1,0]=4 42 B5R0.5 C[C@H](O)C(=O)[O-] T4103 [1,0,0,0,1,0|1,1,0]=4 43 B9R0.56 CC(=O)OCC[N+](C)(C)C T1221 [0,0,0,0,0,2|2,0,0]=4 44 B9R0.56 CC(=O)OCC[N+](C)(C)C T6751 [0,0,0,0,0,2|2,0,0]=4