0 B5R0.4 CSS(C)(=O)=O HMDB0031832 [0,0,0,0,0,0|1,1,0]=2 1 B4R0.1 CC(=O)OO HMDB0031608 [1,0,0,0,0,0|3,0,0]=4 2 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|3,0,0]=4 3 B4R0.1 CCC(C)O HMDB0011469 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 COC(C)=O HMDB0031523 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 CSC(C)=O HMDB0031189 [1,0,0,0,0,0|2,1,0]=4 6 B4R0.1 NCC(O)=O HMDB0000123 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 OC(=O)C#C HMDB0006804 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 OC(=O)C=C HMDB0031647 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 OC(=O)C=O HMDB0000119 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 OC(=O)CCl HMDB0031331 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 OCC(O)=O HMDB0000115 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.3 CC(C)(C)O HMDB0031456 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.3 CS(C)(=O)=O HMDB0004983 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.3 C[As](C)([O-])=O HMDB0011625 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.3 C[As](O)(O)=O HMDB0012258 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.3 OP(O)(O)=O HMDB0002142 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.3 OP(O)(O)=[Se] HMDB0003840 [1,0,0,0,0,0|1,1,1]=4 18 B4R0.3 OP(O)([O-])=[Se] HMDB0006407 [1,0,0,0,0,0|1,1,1]=4 19 B4R0.3 OP([O-])([O-])=O HMDB0000973 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.3 O[As](O)(O)=O HMDB0012190 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.3 O[Si](O)(O)O HMDB0031436 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.3 [O-]S([O-])(=O)=O HMDB0001448 [1,0,0,0,0,0|0,0,2]=3 23 B4R0.3 [O-]S([S-])(=O)=O HMDB0000257 [1,0,0,0,0,0|0,1,1]=3 24 B6R0.5 CCOP(O)(O)=O HMDB0012228 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [0,1,0,0,0,0|0,0,0]=1 26 B6R0.5 NCCP(O)(O)=O HMDB0011747 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.5 NCCS(O)(=O)=O HMDB0000251 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.5 OS(=O)(=O)CCS HMDB0003745 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.8 COP(N)(=O)SC HMDB0031803 [0,1,0,0,0,0|2,1,0]=4 31 B3R0.1 C/C=N/O HMDB0003656 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.1 CCC=O HMDB0003366 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.1 CCCO HMDB0000820 [2,0,0,0,0,0|2,0,0]=4 34 B3R0.1 CNC=O HMDB0001122 [2,0,0,0,0,0|2,0,0]=4 35 B3R0.1 COCCl HMDB0031332 [2,0,0,0,0,0|2,0,0]=4 36 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|1,1,0]=4 37 B3R0.1 [O-]ON=O HMDB0002179 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.2 CC(N)=O HMDB0031645 [2,0,0,0,0,0|2,0,0]=4 41 B3R0.2 CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,0,0]=3 42 B3R0.2 CC(S)=O HMDB0031188 [2,0,0,0,0,0|1,1,0]=4 43 B3R0.2 C[As](C)O HMDB0012216 [2,0,0,0,0,0|2,0,0]=4 44 B3R0.2 C[As](O)O HMDB0012259 [2,0,0,0,0,0|1,0,1]=4 45 B3R0.2 NC(O)=O HMDB0003551 [2,0,0,0,0,0|2,0,0]=4 46 B3R0.2 OC(O)=O HMDB0003538 [2,0,0,0,0,0|1,0,0]=3 47 B3R0.2 OC([O-])=O HMDB0000595 [2,0,0,0,0,0|1,0,1]=4 48 B3R0.2 OS([O-])=O HMDB0001033 [2,0,0,0,0,0|0,0,2]=4 49 B3R0.2 [O-][Cl](=O)=O HMDB0002036 [2,0,0,0,0,0|1,0,1]=4 50 B3R0.2 [O-][I](=O)=O HMDB0001061 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.1 CCCC(O)=O HMDB0000039 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.1 CCOC(N)=O HMDB0031219 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.1 CCOC(O)=O HMDB0031232 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.1 CNCC(O)=O HMDB0000271 [1,1,0,0,0,0|2,0,0]=4 58 B5R0.1 COCC(O)=O HMDB0041929 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.1 NCCC(O)=O HMDB0000056 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.1 NCCS(O)=O HMDB0000965 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.1 OC(=O)CCI HMDB0031252 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.1 OCCC(O)=O HMDB0000700 [1,1,0,0,0,0|2,0,0]=4 63 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|2,0,0]=4 64 B5R0.3 CCC(=O)OC HMDB0030062 [1,1,0,0,0,0|2,0,0]=4 65 B5R0.3 COC(=O)OC HMDB0029580 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.3 COC(C)OC HMDB0030061 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.5 CC(=O)C(O)=O HMDB0000243 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,1,0,0,0,0|2,0,0]=4 69 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.8 NCCOP(O)(O)=O HMDB0000224 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.9 CC(=O)OP(O)(O)=O HMDB0001494 [0,2,0,0,0,0|1,0,1]=4