0 B7R0.10 CCC(O)C(=O)CC T20376 [0,0,0,0,0,0|2,1,1]=4 1 B7R0.10 OC[C@@H](O)[C@@H](O)C=O T19828 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.10 OC[C@@H](O)[C@H](O)CO T10942 [0,0,0,0,0,0|2,1,0]=3 3 B7R0.10 OC[C@H](O)[C@@H](O)CO T5218 [0,0,0,0,0,0|2,1,0]=3 4 B7R0.10 OC[C@H](O)[C@H](O)C=O T20229 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.10 OC[C@H](O)[C@H](O)CO T0583 [0,0,0,0,0,0|2,1,0]=3 6 B7R0.10 O[C@@H](CS)[C@@H](O)CS T20224 [0,0,0,0,0,0|2,2,0]=4 7 B7R0.10 O[C@@H](CS)[C@@H](O)CS T5370 [0,0,0,0,0,0|2,2,0]=4 8 B7R0.10 O[C@@H](CS)[C@H](O)CS T19299 [0,0,0,0,0,0|2,2,0]=4 9 B6R0.3 CC(CO)C(O)=O T19619 [1,0,0,0,0,0|1,1,1]=4 10 B6R0.3 CC(CO)C([O-])=O T29401 [1,0,0,0,0,0|1,1,1]=4 11 B6R0.3 CCC(N)C(O)=O TN6936 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 CC[C@@H](N)C(O)=O T19302 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 CC[C@H](N)C(O)=O T5306 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 O=C(O)[C@H](C)CO T19617 [1,0,0,0,0,0|1,1,1]=4 15 B8R0.2 C(=O)([C@@H](N)[C@H](CC)C)O T0063 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.2 CC[C@@H](C)[C@H](C(O)=O)N T9143 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O T5219 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O T30575 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.3 OC[C@@H](O)[C@@H](O)CC=O T4818 [0,1,0,0,0,0|1,1,1]=4 20 B8R0.13 C[C@](O)(CO)[C@H](O)CO TN2379 [0,1,0,0,0,0|1,1,0]=3 21 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|1,1,1]=4 22 B8R1.5 N[C@@H]1CCCC[C@H]1N T0164 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.5 O[C@@H]1CCCC[C@H]1O T4763 [0,0,0,1,0,0|2,1,0]=4 24 B8R1.5 O[C@H]1CCCC[C@H]1O TN6922 [0,0,0,1,0,0|2,1,0]=4 25 B8R0.19 CCC(C)CC(=O)CC TN3128 [0,0,0,0,0,1|1,1,1]=4 26 B5R0.1 C[C@@H](CCO)O T9257 [2,0,0,0,0,0|0,1,0]=3 27 B5R0.1 C[C@@H](O)CCO T19538 [2,0,0,0,0,0|0,1,0]=3 28 B5R0.2 NCCCCN T22213 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.3 CC(CCl)CCl T31230 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.3 CCC(C)C=O T5090 [2,0,0,0,0,0|0,0,2]=4 31 B5R0.3 OCC(O)CO T4776 [2,0,0,0,0,0|1,1,0]=4 32 B5R0.3 OCC(S)CS T0781 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.5 CC(O)C(C)O T19094 [2,0,0,0,0,0|0,1,0]=3 34 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [2,0,0,0,0,0|0,1,0]=3 35 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.2 CCC(C)CC(O)=O T19122 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.2 CCC(O)CC(O)=O T19121 [1,1,0,0,0,0|0,1,1]=4 38 B7R0.5 CCCC(C)C(O)=O T5685 [1,1,0,0,0,0|0,0,1]=3 39 B7R0.5 CCCC(N)C(O)=O T11054 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.5 CCC[C@H](N)C(O)=O T4788 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.29 CCC(C)C(CC)C(N)=O T17215 [0,2,0,0,0,0|1,1,0]=4 42 B7R1.3 CC1CCOCO1 T21291 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|0,1,1]=4 44 B9R1.41 NC1CCCC1C(O)=O T27023 [0,1,0,1,0,0|1,0,1]=4