0 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)O)O CHEBI:30769 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.694 C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O CHEBI:35802 [0,0,0,0,0,0|0,0,1]=1 2 B12R0.694 C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O CHEBI:35806 [0,0,0,0,0,0|0,0,1]=1 3 B12R0.694 C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O CHEBI:35809 [0,0,0,0,0,0|0,0,2]=2 4 B12R0.694 C(C(=O)O)C(CP(=O)O)(C(=O)O)O CHEBI:81403 [0,0,0,0,0,0|1,0,0]=1 5 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O CHEBI:131389 [0,0,0,0,0,0|0,0,2]=2 6 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O CHEBI:35810 [0,0,0,0,0,0|0,0,2]=2 7 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O CHEBI:63076 [0,0,0,0,0,0|0,0,2]=2 8 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:131391 [0,0,0,0,0,0|0,0,3]=3 9 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:16947 [0,0,0,0,0,0|0,0,3]=3 10 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:32142 [0,0,0,0,0,0|0,0,3]=3 11 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:53258 [0,0,0,0,0,0|0,0,3]=3 12 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:63037 [0,0,0,0,0,0|0,0,3]=3 13 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:64733 [0,0,0,0,0,0|0,0,3]=3 14 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:64735 [0,0,0,0,0,0|0,0,3]=3 15 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:64746 [0,0,0,0,0,0|0,0,3]=3 16 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:64754 [0,0,0,0,0,0|0,0,3]=3 17 B12R0.694 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-] CHEBI:132362 [0,0,0,0,0,0|0,0,4]=4 18 B12R0.694 C(C(=O)[O-])C(CP(=O)[O-])(C(=O)[O-])O CHEBI:91181 [0,0,0,0,0,0|1,0,3]=4 19 B11R0.32 C(C(=CC(=O)O)C(=O)O)C(=O)O CHEBI:22211 [1,0,0,0,0,0|0,0,2]=3 20 B11R0.32 C(C(C(=O)O)NC(=N)N)C(=O)O CHEBI:90143 [1,0,0,0,0,0|3,0,0]=4 21 B11R0.32 C(C(C(=O)O)NC(=O)N)C(=O)O CHEBI:64850 [1,0,0,0,0,0|2,0,0]=3 22 B11R0.32 C(C(CC(=O)O)C(=O)O)C(=O)O CHEBI:45969 [1,0,0,0,0,0|0,0,0]=1 23 B11R0.32 C(C(CC(=O)[O-])C(=O)[O-])C(=O)[O-] CHEBI:62517 [1,0,0,0,0,0|0,0,3]=4 24 B11R0.32 C([C@@H](C(=O)O)NC(=N)N)C(=O)O CHEBI:17072 [1,0,0,0,0,0|3,0,0]=4 25 B11R0.32 C([C@@H](C(=O)O)NC(=O)N)C(=O)O CHEBI:15859 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.32 C([C@H](C(=O)O)NC(=O)N)C(=O)O CHEBI:64852 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.32 C(\C(=C/C(=O)O)\C(=O)O)C(=O)O CHEBI:32806 [1,0,0,0,0,0|0,0,2]=3 28 B11R0.32 C(\C(=C\C(=O)O)\C(=O)O)C(=O)O CHEBI:32805 [1,0,0,0,0,0|0,0,2]=3 29 B11R0.32 C(\C(=C\P(=O)O)\C(=O)O)C(=O)O CHEBI:131963 [1,0,0,0,0,0|1,0,2]=4 30 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O CHEBI:21547 [1,0,0,0,0,0|2,0,0]=3 31 B11R0.32 [*]C(=O)N[C@H](CC(=O)O)C(=O)O CHEBI:15779 [1,0,0,0,0,0|2,0,0]=3 32 B11R0.181 CCCC(CC(=O)O)(C(=O)O)O CHEBI:28652 [1,0,0,0,0,0|1,0,1]=3 33 B11R0.181 CCC[C@@](CC(=O)O)(C(=O)O)O CHEBI:27567 [1,0,0,0,0,0|1,0,1]=3 34 B13R0.1420 CC(C(=O)O)C(CC(=O)O)(C(=O)O)O CHEBI:30835 [0,1,0,0,0,0|0,0,0]=1 35 B13R0.1420 CC(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CHEBI:15598 [0,1,0,0,0,0|0,0,3]=4 36 B13R0.1420 C[C@H](C(=O)O)[C@@](CC(=O)O)(C(=O)O)O CHEBI:50948 [0,1,0,0,0,0|0,0,0]=1 37 B13R0.1420 C[C@H](C(=O)O)[C@](CC(=O)O)(C(=O)O)O CHEBI:30836 [0,1,0,0,0,0|0,0,0]=1 38 B13R0.1420 C[C@H](C(=O)[O-])[C@@](CC(=O)[O-])(C(=O)[O-])O CHEBI:58853 [0,1,0,0,0,0|0,0,3]=4 39 B13R0.1420 C[C@H](C(=O)[O-])[C@](CC(=O)[O-])(C(=O)[O-])O CHEBI:10860 [0,1,0,0,0,0|0,0,3]=4 40 B13R1.5889 C1=CC(OC1=O)(CC(=O)O)C(=O)O CHEBI:16993 [0,0,0,1,0,0|3,0,0]=4 41 B13R1.5889 C1=C[C@](OC1=O)(CC(=O)O)C(=O)O CHEBI:49030 [0,0,0,1,0,0|3,0,0]=4 42 B11R0.427 CC(C)C(CC(=O)O)(C(=O)O)O CHEBI:28635 [0,0,0,0,1,0|2,0,1]=4 43 B11R0.427 CC(C)[C@@](CC(=O)O)(C(=O)O)O CHEBI:35128 [0,0,0,0,1,0|2,0,1]=4 44 B13R0.617 C(CC(CC(=O)O)(C(=O)O)O)C(=O)O CHEBI:17852 [0,0,0,0,0,1|0,0,0]=1 45 B13R0.617 C(CC(CC(=O)[O-])(C(=O)[O-])O)C(=O)[O-] CHEBI:36457 [0,0,0,0,0,1|0,0,3]=4 46 B13R0.617 C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O CHEBI:52222 [0,0,0,0,0,1|0,0,0]=1 47 B13R0.617 C(C[C@@](CC(=O)[O-])(C(=O)[O-])O)C(=O)[O-] CHEBI:58884 [0,0,0,0,0,1|0,0,3]=4 48 B10R0.23 C([C@@H](C(=O)O)NC=N)C(=O)O CHEBI:48427 [2,0,0,0,0,0|2,0,0]=4 49 B10R0.23 C([C@@H](C(=O)O)NC=O)C(=O)O CHEBI:48429 [2,0,0,0,0,0|1,0,0]=3 50 B10R0.119 CC[C@@](CC(=O)O)(C(=O)O)O CHEBI:15583 [2,0,0,0,0,0|0,0,1]=3 51 B10R0.165 CC(C)(CC(=O)O)CC(=O)O CHEBI:68502 [2,0,0,0,0,0|1,0,1]=4 52 B10R0.165 CC(CC(=O)O)(CC(=O)O)O CHEBI:16831 [2,0,0,0,0,0|0,0,1]=3 53 B10R0.165 CC(CC(=O)O)(CC(=O)[O-])O CHEBI:30920 [2,0,0,0,0,0|0,0,2]=4 54 B12R0.43 C(C(C(=O)C(=O)O)C(=O)O)C(=O)O CHEBI:7815 [1,1,0,0,0,0|0,0,1]=3 55 B12R0.43 C(C(C(C(=O)O)O)C(=O)O)C(=O)O CHEBI:30887 [1,1,0,0,0,0|0,0,0]=2 56 B12R0.43 C(C(C(C(=O)O)O)C(=O)O)P(=O)O CHEBI:131959 [1,1,0,0,0,0|1,0,0]=3 57 B12R0.43 C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O CHEBI:44712 [1,1,0,0,0,0|0,0,1]=3 58 B12R0.43 C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O CHEBI:160 [1,1,0,0,0,0|0,0,0]=2 59 B12R0.43 C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O CHEBI:151 [1,1,0,0,0,0|0,0,0]=2 60 B12R0.43 C([C@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O CHEBI:30889 [1,1,0,0,0,0|0,0,0]=2 61 B12R0.43 C([C@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O CHEBI:43291 [1,1,0,0,0,0|0,0,0]=2 62 B12R0.43 C\C(=C(/CC(=O)O)\C(=O)O)\C(=O)O CHEBI:16717 [1,1,0,0,0,0|0,0,2]=4 63 B12R0.43 C\C(=C(\CC(=O)O)/C(=O)O)\C(=O)O CHEBI:55353 [1,1,0,0,0,0|0,0,2]=4 64 B12R0.151 C([C@@H](C(=O)O)NC(=O)CN)C(=O)O CHEBI:73804 [1,1,0,0,0,0|2,0,0]=4 65 B12R0.151 C([C@H](C(=O)O)NC(=O)CN)C(=O)O CHEBI:73893 [1,1,0,0,0,0|2,0,0]=4 66 B12R0.151 COC(=O)C\C(=C/C(=O)O)\C(=O)O CHEBI:15661 [1,1,0,0,0,0|0,0,2]=4 67 B12R0.180 COC(=O)\C(=C\C(=O)O)\CC(=O)O CHEBI:15663 [1,1,0,0,0,0|0,0,2]=4 68 B12R0.356 CSCCC(CC(=O)O)(C(=O)O)O CHEBI:134530 [1,1,0,0,0,0|0,1,1]=4 69 B12R0.356 CSCCC(CC(=O)O)(C(=O)O)O CHEBI:50261 [1,1,0,0,0,0|0,1,1]=4 70 B14R0.4684 C(C(=O)C(=O)O)C(CC(=O)O)(C(=O)O)O CHEBI:17250 [0,1,0,0,0,1|0,0,0]=2 71 B12R0.41 C(C(=O)N)N(CC(=O)O)CC(=O)O CHEBI:43960 [1,0,0,0,0,1|2,0,0]=4 72 B12R0.41 C(C(=O)O)N(CC(=O)O)CC(=O)O CHEBI:44557 [1,0,0,0,0,1|1,0,0]=3 73 B12R0.41 C(C(=O)O)N(CC(=O)O)CC(=O)[O-] CHEBI:39053 [1,0,0,0,0,1|1,0,1]=4 74 B12R0.138 C(C(C(=O)O)OCC(=O)O)C(=O)O CHEBI:17040 [1,0,0,0,0,1|0,0,0]=2 75 B12R0.138 C(CC(=O)O)C(C(=O)O)NC(=O)N CHEBI:86349 [1,0,0,0,0,1|2,0,0]=4 76 B12R0.138 C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N CHEBI:71028 [1,0,0,0,0,1|2,0,0]=4 77 B12R0.138 C(CC(=O)O)\C(=C\C(=O)O)\C(=O)O CHEBI:17516 [1,0,0,0,0,1|0,0,2]=4 78 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O CHEBI:17533 [1,0,0,0,0,1|2,0,0]=4 79 B12R0.138 [*]C(=O)N[C@H](CCC(=O)O)C(=O)O CHEBI:49085 [1,0,0,0,0,1|2,0,0]=4 80 B14R0.2692 C(CC(=O)O)C[C@@](CC(=O)O)(C(=O)O)O CHEBI:72694 [0,0,0,0,0,2|0,0,0]=2