0 B7R0.5 CCCC(=O)C(=O)O T13484 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.5 CCCC(C)C(=O)O T5685 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CCCC(N)C(=O)O T11054 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CCC[C@H](N)C(=O)O T4788 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.3 CC(=O)\C(C)=N\O T2176 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.3 CCC(=O)C(=O)O T5060 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.3 CCC(O)C(=O)[O-] T4738 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.3 CC[C@@H](N)C(=O)O T19302 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.3 CC[C@H](N)C(=O)O T5306 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.3 C\C=C(/C)C(=O)O T5542 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.3 C\C=C(\C)C(=O)O T3328 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 O=C(O)C(=O)CBr T5882 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 NC\C=C\C(=O)O T23414 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 O=C(O)\C=C\CO T23473 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.2 CCC(C)C(=O)C(=O)O T8264 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.18 C=C1CC(=O)OC1=O T5321 [0,0,0,1,0,0|2,0,1]=4 18 B8R0.5 CCOC(=O)CC(=O)O T4773 [0,0,0,0,0,1|1,0,0]=2 19 B8R0.5 CCOC(=O)CC(=O)[O-] T22328 [0,0,0,0,0,1|1,0,0]=2 20 B5R0.1 CC(C)=CCO T4747 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.1 CCCC(=O)[O-] T1393 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.1 C\C=C\C(=O)O T5301 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.3 CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.5 CC(=O)C(=O)O T4804 [2,0,0,0,0,0|0,0,0]=2 26 B5R0.5 CC(=O)C(=O)[O-] T7717 [2,0,0,0,0,0|0,0,1]=3 27 B5R0.5 C[C@@H](N)C(=O)O T4811 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.5 C[C@@H](O)C(=O)O T10943 [2,0,0,0,0,0|0,0,2]=4 29 B5R0.5 C[C@H](N)C(=O)O TJO2729 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.5 C[C@H](N)C(=O)O TN1003 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.5 C[C@H](O)C(=O)O T4845 [2,0,0,0,0,0|0,0,2]=4 32 B5R0.5 O=C(O)C(=O)O T2O2680 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.5 O=C(O)C(=O)O T5064 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.16 CC(C)C(=O)C(=O)O T5232 [1,1,0,0,0,0|1,0,0]=3 36 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,1]=3 37 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,1]=3 38 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,1|0,0,2]=4 39 B9R1.37 CC1=C(O)C(=O)C(C)O1 T5547 [0,1,0,1,0,0|2,0,0]=4