0 B7R0.6 CC(=O)NCC(=O)O T4822 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 O=C(O)CCC(=O)O BBP02045 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.6 O=C(O)CCC(=O)O T2719 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.6 O=C(O)CC[N+](=O)[O-] BBP03547 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.6 O=C(O)\C=C\C(=O)O BBP00430 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.9 COC(=O)CCC(C)=O BBP00556 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,1,0,0,0,0|1,0,2]=4 10 B8R0.23 C=C(CC(=O)O)C(=O)O T4837 [0,1,0,0,0,0|0,0,1]=2 11 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,1,0,0,0,0|0,0,2]=3 15 B8R0.23 O=C(O)CC(=O)C(=O)O T4862 [0,1,0,0,0,0|0,0,1]=2 16 B8R0.23 O=C(O)CC(O)C(=O)O T2S0850 [0,1,0,0,0,0|0,0,2]=3 17 B8R0.23 O=C(O)C[C@H](O)C(=O)O T4838 [0,1,0,0,0,0|0,0,2]=3 18 B8R1.3 OC1=CC=C(O)C=C1 T0673 [0,0,0,1,0,0|2,0,0]=3 19 B6R0.2 CC(C)=CC(=O)O BBP04714 [0,0,0,0,1,0|2,0,0]=3 20 B6R0.2 CC(O)CC(=O)O T4947 [0,0,0,0,1,0|1,0,2]=4 21 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,0,0,0,0,1|1,0,2]=4 22 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,0,0,0,0,1|0,0,2]=3 23 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.9 O=C(O)CP(=O)(O)O T4729 [0,1,0,0,1,0|1,0,1]=4 25 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,1,0,0,1,0|0,0,1]=3 26 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,1,0,0,0,1|0,0,2]=4 27 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,0,0,0,1|0,0,2]=4 28 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [0,1,0,0,0,1|0,0,2]=4 29 B9R0.42 COC(=O)C[C@H](O)C(=O)O BBP00069 [0,2,0,0,0,0|0,0,2]=4 30 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O T4898 [0,2,0,0,0,0|2,0,0]=4 31 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O T4906 [0,2,0,0,0,0|0,0,2]=4 32 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O T5059 [0,2,0,0,0,0|0,0,2]=4 33 B7R1.3 OC1=CC=CC=C1 TCS0927 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [0,1,0,1,0,0|2,0,0]=4 35 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,1,0,1,0,0|2,0,0]=4 36 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,1,0,1,0,0|2,0,0]=4 38 B9R1.69 CC1=C(O)C=CC(O)=C1 BBP04832 [0,1,0,1,0,0|2,0,0]=4 39 B5R0.5 CC(=O)C(=O)O T4804 [0,0,0,0,2,0|1,0,0]=3 40 B5R0.5 CC(=O)C(C)=O T4774 [0,0,0,0,2,0|2,0,0]=4 41 B5R0.5 C[C@H](O)C(=O)O T4845 [0,0,0,0,2,0|1,0,1]=4 42 B5R0.5 O=C(O)C(=O)O T2O2680 [0,0,0,0,2,0|0,0,0]=2 43 B5R0.5 O=C(O)C(=O)O T5064 [0,0,0,0,2,0|0,0,0]=2