0 B4R0.3 CC(C)(C)O HMDB0031456 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.3 CS(C)(=O)=O HMDB0004983 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.3 C[As](C)([O-])=O HMDB0011625 [0,0,0,0,0,0|1,1,0]=2 3 B4R0.3 C[As](O)(O)=O HMDB0012258 [0,0,0,0,0,0|2,1,1]=4 4 B4R0.3 C[N+](C)(C)[O-] HMDB0000925 [0,0,0,0,0,0|0,0,0]=0 5 B4R0.3 OP(O)([O-])=[Se] HMDB0006407 [0,0,0,0,0,0|3,1,0]=4 6 B4R0.3 OP([O-])([O-])=O HMDB0000973 [0,0,0,0,0,0|3,1,0]=4 7 B4R0.3 [O-]P([O-])([O-])=O HMDB0001429 [0,0,0,0,0,0|3,1,0]=4 8 B4R0.3 [O-]S([O-])(=O)=O HMDB0001448 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.3 [O-]S([S-])(=O)=O HMDB0000257 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 CC(C)=O HMDB0001659 [1,0,0,0,0,0|1,0,1]=3 11 B3R0.2 CC(C)O HMDB0000863 [1,0,0,0,0,0|1,0,1]=3 12 B3R0.2 CC(C)S HMDB0031634 [1,0,0,0,0,0|1,1,0]=3 13 B3R0.2 CC(N)=O HMDB0031645 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.2 CC(O)=O HMDB0000042 [1,0,0,0,0,0|2,0,1]=4 15 B3R0.2 CC(S)=O HMDB0031188 [1,0,0,0,0,0|2,0,1]=4 16 B3R0.2 CC(S)S HMDB0032253 [1,0,0,0,0,0|2,1,0]=4 17 B3R0.2 C[As](C)O HMDB0012216 [1,0,0,0,0,0|0,1,1]=3 18 B3R0.2 C[As](O)O HMDB0012259 [1,0,0,0,0,0|1,1,1]=4 19 B3R0.2 C[S+](C)C HMDB0012295 [1,0,0,0,0,0|1,0,0]=2 20 B3R0.2 C[Se+](C)C HMDB0042052 [1,0,0,0,0,0|1,0,0]=2 21 B3R0.2 OC([O-])=O HMDB0000595 [1,0,0,0,0,0|3,0,0]=4 22 B3R0.2 OS([O-])=O HMDB0001033 [1,0,0,0,0,0|3,0,0]=4 23 B3R0.2 [O-]C([O-])=O HMDB0031453 [1,0,0,0,0,0|3,0,0]=4 24 B3R0.2 [O-]P([O-])[O-] HMDB0001443 [1,0,0,0,0,0|2,1,0]=4 25 B3R0.2 [O-]S([O-])=O HMDB0000240 [1,0,0,0,0,0|3,0,0]=4 26 B3R0.2 [O-][As]([O-])[O-] HMDB0011620 [1,0,0,0,0,0|2,1,0]=4 27 B3R0.2 [O-][Cl](=O)=O HMDB0002036 [1,0,0,0,0,0|3,0,0]=4 28 B3R0.2 [O-][I](=O)=O HMDB0001061 [1,0,0,0,0,0|3,0,0]=4 29 B3R0.2 [O-][N+]([O-])=O HMDB0002878 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.2 [O-][Se]([O-])=O HMDB0011119 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.4 CSS(C)(=O)=O HMDB0031832 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.4 C[N+](C)(C)C=C HMDB0031259 [0,1,0,0,0,0|1,0,0]=2 33 B2R0.1 CC=O HMDB0000990 [2,0,0,0,0,0|1,0,1]=4 34 B2R0.1 CCC HMDB0031630 [2,0,0,0,0,0|1,0,0]=3 35 B2R0.1 CCN HMDB0013231 [2,0,0,0,0,0|2,0,0]=4 36 B2R0.1 CNC HMDB0000087 [2,0,0,0,0,0|0,0,1]=3 37 B2R0.1 CSC HMDB0002303 [2,0,0,0,0,0|1,0,0]=3 38 B2R0.1 [O-]C#N HMDB0002078 [2,0,0,0,0,0|2,0,0]=4 39 B2R0.1 [O-]N=O HMDB0002786 [2,0,0,0,0,0|1,0,1]=4 40 B2R0.1 [O-][Cl]=O HMDB0002077 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 CC(=O)CN HMDB0002134 [1,1,0,0,0,0|1,0,1]=4 42 B4R0.1 CC(=O)CO HMDB0006961 [1,1,0,0,0,0|1,0,1]=4 43 B4R0.1 CC(=O)CS HMDB0030025 [1,1,0,0,0,0|1,0,1]=4 44 B4R0.1 CC(C)C=O HMDB0031243 [1,1,0,0,0,0|1,0,1]=4 45 B4R0.1 CC(C)CO HMDB0006006 [1,1,0,0,0,0|1,0,0]=3 46 B4R0.1 CC(C)CS HMDB0031245 [1,1,0,0,0,0|1,0,0]=3 47 B4R0.1 CC(Cl)CO HMDB0031335 [1,1,0,0,0,0|2,0,0]=4 48 B4R0.1 CC(N)CN HMDB0013136 [1,1,0,0,0,0|2,0,0]=4 49 B4R0.1 CC(O)CN HMDB0012136 [1,1,0,0,0,0|1,0,1]=4 50 B4R0.1 CC(S)CS HMDB0031631 [1,1,0,0,0,0|1,1,0]=4 51 B4R0.1 CCC(C)=O HMDB0000474 [1,1,0,0,0,0|1,0,1]=4 52 B4R0.1 CCC(C)N HMDB0032179 [1,1,0,0,0,0|2,0,0]=4 53 B4R0.1 CCC(C)O HMDB0011469 [1,1,0,0,0,0|1,0,1]=4 54 B4R0.1 CN(C)N=O HMDB0031419 [1,1,0,0,0,0|0,0,2]=4 55 B4R0.1 COC(C)=O HMDB0031523 [1,1,0,0,0,0|1,0,1]=4 56 B4R0.1 CSC(C)=O HMDB0031189 [1,1,0,0,0,0|1,0,1]=4 57 B4R0.1 C[C@H](O)CO HMDB0006213 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.5 C[As+](C)(C)CCO HMDB0032683 [0,2,0,0,0,0|0,1,1]=4 60 B6R0.5 C[N+](C)(C)CC=O HMDB0001252 [0,2,0,0,0,0|0,0,1]=3 61 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,2,0,0,0,0|1,0,1]=4 62 B4R1.2 CC1CO1 HMDB0031558 [1,0,0,1,0,0|1,0,1]=4 63 B4R1.2 CC1CO1 HMDB0032263 [1,0,0,1,0,0|1,0,1]=4