0 B10R0.31 CC(=O)O[C@@H](C)C[N+](C)(C)C CNP0504728.1 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.31 CC(=O)O[C@H](C)C[N+](C)(C)C CNP0504728.2 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.31 CC(C[N+](C)(C)C)OC(=N)[O-] CNP0479165.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N CNP0569301.1 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N CNP0569301.2 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)[O-] CNP0235581.0 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.31 C[N+](C)(C)C[C@@H](N)CC(=O)O CNP0558664.2 [0,0,0,0,0,0|1,0,1]=2 7 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O CNP0508718.1 [0,0,0,0,0,0|0,0,1]=1 8 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)[O-] CNP0533545.1 [0,0,0,0,0,0|0,0,0]=0 9 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)O CNP0558664.1 [0,0,0,0,0,0|1,0,1]=2 10 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)[O-] CNP0541676.1 [0,0,0,0,0,0|1,0,0]=1 11 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O CNP0508718.2 [0,0,0,0,0,0|0,0,1]=1 12 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O CNP0508718.4 [0,0,0,0,0,0|0,0,1]=1 13 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] CNP0533545.2 [0,0,0,0,0,0|0,0,0]=0 14 B10R0.31 [14CH3][N+]([14CH3])([14CH3])C[C@@H](O)CC(=O)O CNP0508718.3 [0,0,0,0,0,0|0,0,1]=1 15 B9R0.44 CC(CC=O)CC(C)(C)C CNP0185599.0 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [1,0,0,0,0,0|1,0,1]=3 19 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.56 CC(=O)OCC[As+](C)(C)C CNP0017843.0 [1,0,0,0,0,0|2,1,0]=4 21 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0482920.0 [1,0,0,0,0,0|2,0,0]=3 22 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0521268.0 [1,0,0,0,0,0|2,0,0]=3 23 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0569856.0 [1,0,0,0,0,0|2,0,0]=3 24 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0583054.0 [1,0,0,0,0,0|2,0,0]=3 25 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0584438.0 [1,0,0,0,0,0|2,0,0]=3 26 B9R0.56 C[N+](C)(C)CC=CC(=O)O CNP0058148.0 [1,0,0,0,0,0|0,0,3]=4 27 B9R0.56 C[N+](C)(C)CC=CC(=O)[O-] CNP0522002.0 [1,0,0,0,0,0|0,0,2]=3 28 B9R0.56 C[N+](C)(C)CCCC(=O)O CNP0083679.0 [1,0,0,0,0,0|0,0,1]=2 29 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CNP0082937.0 [1,0,0,0,0,0|0,0,0]=1 30 B9R0.56 C[N+](C)(C)CCOC(=N)[O-] CNP0578103.0 [1,0,0,0,0,0|2,0,0]=3 31 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0529912.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0532437.0 [1,0,0,0,0,0|2,0,0]=3 33 B9R0.56 C[S+](C)CCC[N+](C)(C)C CNP0521923.0 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.56 C[S](C)CCC[N+](C)(C)C CNP0558295.0 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.76 C[N+](C)(C)C[C@H]1CCC(=O)O1 CNP0550892.1 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.488 C[N+]1(C[C@@H]([C@@H](C1)C(=O)[O-])O)C CNP0513147.3 [0,0,0,1,0,0|0,0,0]=1 37 B11R1.488 C[N+]1(C[C@@H]([C@H](C1)O)C(=O)[O-])C CNP0513147.1 [0,0,0,1,0,0|0,0,0]=1 38 B11R1.488 C[N+]1(C[C@H]([C@@H](C1)C(=O)O)O)C CNP0494640.1 [0,0,0,1,0,0|0,0,1]=2 39 B11R1.488 C[N+]1(C[C@H]([C@@H](C1)C(=O)[O-])O)C CNP0513147.2 [0,0,0,1,0,0|0,0,0]=1 40 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.21 CSCCC[N+](C)(C)C CNP0070476.0 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.21 C[N+](C)(C)CCCC=O CNP0530420.0 [2,0,0,0,0,0|0,0,0]=2 44 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [2,0,0,0,0,0|1,1,0]=4 48 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [2,0,0,0,0,0|0,0,2]=4 49 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.60 CCC(=O)OCC[N+](C)(C)C CNP0582310.0 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.113 C[N+](C)(C)CCOS(=O)(=O)[O-] CNP0584491.0 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.113 C[N+](C)(C)CCO[P@@](=O)([O-])O CNP0533705.1 [1,1,0,0,0,0|2,0,0]=4 53 B10R0.154 CC(=O)C(O)C(O)C(C)(C)C CNP0344246.0 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.359 C[N+]1(C=C(CC1)C(=O)[O-])C CNP0431873.0 [1,0,0,1,0,0|0,0,2]=4 56 B12R1.1819 CC1(CO[C@H](CN1)CC(=O)O)C CNP0206186.1 [0,0,0,1,0,1|1,0,1]=4 57 B12R1.1821 CC(=O)OC1C[N+](CCO1)(C)C CNP0579930.0 [0,1,0,1,0,0|2,0,0]=4 58 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [1,0,0,0,1,0|2,0,0]=4 59 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [1,0,0,0,1,0|1,0,1]=4 60 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [1,0,0,0,1,0|1,0,1]=4 61 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [1,0,0,0,1,0|1,0,1]=4 62 B8R0.29 C[As+](C)(C)CCC(=O)[O-] CNP0065909.0 [1,0,0,0,1,0|0,1,0]=3 63 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CNP0359196.0 [1,0,0,0,1,0|0,0,0]=2 64 B8R0.27 C[C@@H](C(=O)[O-])[N+](C)(C)C CNP0588198.1 [0,0,0,0,2,0|1,0,0]=3 65 B10R0.96 C[S+](C)CC[C@@H](O)CC(=O)[O-] CNP0063327.1 [1,0,0,0,0,1|1,0,0]=3 66 B10R0.96 C[S+](C)CC[C@H](O)CC(=O)O CNP0018375.1 [1,0,0,0,0,1|1,0,1]=4 67 B10R0.15 C[N+](C)(C)CCCCC(=O)[O-] CNP0605083.0 [1,0,0,0,0,1|0,0,0]=2