0 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C CHEBI:50142 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C CHEBI:6804 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N CHEBI:3084 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N CHEBI:3085 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.31 CC(C[N+](C)(C)C)SC(=O)C CHEBI:73475 [0,0,0,0,0,0|0,1,0]=1 5 B10R0.31 CC(C[N+](C)(C)C)SC(=O)C CHEBI:73545 [0,0,0,0,0,0|0,1,0]=1 6 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N CHEBI:59261 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N CHEBI:59263 [0,0,0,0,0,0|1,0,0]=1 8 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N CHEBI:59260 [0,0,0,0,0,0|1,0,0]=1 9 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N CHEBI:59262 [0,0,0,0,0,0|1,0,0]=1 10 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)O CHEBI:16758 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)[O-] CHEBI:57885 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.31 C[N+](C)(C)CC(CC(=O)N)O CHEBI:48601 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.31 C[N+](C)(C)CC(CC(=O)N)O CHEBI:48604 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O CHEBI:3424 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O CHEBI:17126 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)N)O CHEBI:17159 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)N)O CHEBI:48602 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)O)O CHEBI:39547 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)[O-])O CHEBI:16347 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)N)O CHEBI:48603 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)N)O CHEBI:50447 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)O)O CHEBI:51453 [0,0,0,0,0,0|3,0,0]=3 23 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)[O-])O CHEBI:11060 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.56 CC(=O)CCC[N+](C)(C)C CHEBI:44470 [1,0,0,0,0,0|1,0,0]=2 25 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:15355 [1,0,0,0,0,0|0,0,0]=1 26 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:2417 [1,0,0,0,0,0|0,0,0]=1 27 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:55316 [1,0,0,0,0,0|0,0,0]=1 28 B9R0.56 C[N+](C)(C)CCCC(=O)O CHEBI:1941 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CHEBI:16244 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.56 C[N+](C)(C)CCOC(=O)N CHEBI:3385 [1,0,0,0,0,0|1,0,0]=2 31 B9R0.56 C[N+](C)(C)C\C=C\C(=O)O CHEBI:1774 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.56 C[N+](C)(C)C\C=C\C(=O)O CHEBI:48867 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.56 C[N+](C)(C)C\C=C\C(=O)[O-] CHEBI:11946 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.56 C[N+](C)(C)C\C=C\C(=O)[O-] CHEBI:17237 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] CHEBI:131843 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.21 C[N+](C)(C)CCCC=O CHEBI:18020 [2,0,0,0,0,0|1,0,0]=3 37 B8R0.28 CC(=O)CCOC(=O)C CHEBI:87390 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.28 CC(C)CCOC(=O)C CHEBI:31725 [2,0,0,0,0,0|1,0,0]=3 39 B10R0.113 C[N+](C)(C)CCOP(=O)(O)O CHEBI:18132 [1,1,0,0,0,0|2,0,0]=4 40 B10R0.113 C[N+](C)(C)CCOP(=O)(O)O CHEBI:61040 [1,1,0,0,0,0|2,0,0]=4 41 B10R0.113 C[N+](C)(C)CCOP(=O)([O-])[O-] CHEBI:295975 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.113 C[N+](C)(C)CCOS(=O)(=O)O CHEBI:52859 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.113 C[N+](C)(C)CCOS(=O)(=O)[O-] CHEBI:16822 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CHEBI:28825 [1,0,0,0,1,0|1,0,0]=3 45 B8R0.29 C[Si](C)(C)CCC(=O)O CHEBI:85487 [1,0,0,0,1,0|2,0,0]=4 46 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85363 [1,0,0,0,1,0|2,0,0]=4 47 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85486 [1,0,0,0,1,0|2,0,0]=4