0 B7R0.9 CC(C)(O)CC(=O)O C20827 [0,0,0,0,0,0|1,1,1]=3 1 B7R0.9 CC(O)C[N+](C)(C)C C02224 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.9 C[C@H](O)CP(=O)(O)O C06452 [0,0,0,0,0,0|3,1,0]=4 3 B7R0.9 C[N+](C)(C)CC(O)O C07345 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(=O)CC(C)C C19263 [1,0,0,0,0,0|0,0,2]=3 5 B6R0.2 CC(C)CC(=O)O C08262 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.2 CC(O)CC(N)=O C11109 [1,0,0,0,0,0|1,1,1]=4 7 B6R0.2 CN(C)CC(=O)O C01026 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 C[C@@H](O)CC(=O)O C01089 [1,0,0,0,0,0|1,1,1]=4 9 B6R0.2 C[C@H](O)CC(=O)O C03197 [1,0,0,0,0,0|1,1,1]=4 10 B6R0.2 C[S+](C)CC(=O)O C03392 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.5 C[N+](C)(C)CCCl C18585 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.5 C[N+](C)(C)CCO C00114 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.27 CC(C)(O)C(O)C(=O)O C04039 [0,1,0,0,0,0|1,1,1]=4 14 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O C04272 [0,1,0,0,0,0|1,1,1]=4 15 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O C07418 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.7 CC(C)(N)C(=O)O C03665 [0,0,0,0,1,0|2,0,1]=4 17 B6R0.7 CC(C)(O)C(=O)O C21297 [0,0,0,0,1,0|1,1,1]=4 18 B8R0.29 CC(O)COC(C)(C)C C19356 [0,0,0,0,0,1|1,0,0]=2 19 B5R0.1 CC(C)=CCO C01390 [2,0,0,0,0,0|0,0,2]=4 20 B5R0.1 CC(C)CC=O C07329 [2,0,0,0,0,0|0,0,2]=4 21 B5R0.1 CC(C)CCN C02640 [2,0,0,0,0,0|1,0,0]=3 22 B5R0.1 CC(C)CCO C07328 [2,0,0,0,0,0|0,0,0]=2 23 B5R0.1 CC(C)CNO C21369 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 CC(C)\C=N/O C20315 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 CC(C)\C=N\O C03219 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 CC(O)CCO C20335 [2,0,0,0,0,0|0,1,0]=3 27 B5R0.1 CCCC(=O)O C00246 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.1 CCCC(C)=O C01949 [2,0,0,0,0,0|0,0,2]=4 29 B5R0.4 CC(C)(O)CO C21290 [2,0,0,0,0,0|0,1,0]=3 30 B5R0.4 CCC(C)(C)O C21401 [2,0,0,0,0,0|0,1,0]=3 31 B5R0.4 COC(C)(C)C C11344 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.2 [*]SC(=O)C[C@@H](C)O C04618 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.16 CC(C)C(N)C(=O)O C16436 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.16 CC(C)[C@@H](N)C(=O)O C06417 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.16 CC(C)[C@H](N)C(=O)O C00183 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.5 CC(=O)C(C)O C00466 [1,0,0,0,1,0|0,1,1]=4 37 B5R0.5 CC(=O)[C@@H](C)O C00810 [1,0,0,0,1,0|0,1,1]=4 38 B5R0.5 CC(=O)[C@H](C)O C01769 [1,0,0,0,1,0|0,1,1]=4 39 B5R0.5 CC(C)C(=O)O C02632 [1,0,0,0,1,0|1,0,1]=4 40 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [1,0,0,0,1,0|0,1,0]=3 41 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [1,0,0,0,1,0|0,1,0]=3 42 B5R0.5 C[C@H](O)[C@H](C)O C03046 [1,0,0,0,1,0|0,1,0]=3 43 B7R0.6 CC(C)CCC(=O)O C21399 [1,0,0,0,0,1|1,0,1]=4