0 B4R0.1 CC(=O)C=O HMDB0001167 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 CC(=O)CN HMDB0002134 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 CC(=O)CO HMDB0006961 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CC(=O)CS HMDB0030025 [0,0,0,0,0,0|3,1,0]=4 4 B4R0.1 CC(=O)OO HMDB0031608 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(C)C=O HMDB0031243 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 CCC(C)=O HMDB0000474 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CN(C)N=O HMDB0031419 [0,0,0,0,0,0|2,2,0]=4 8 B4R0.1 COC(C)=O HMDB0031523 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.1 CSC(C)=O HMDB0031189 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 C[C@@H](O)C=O HMDB0006458 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C[C@H](O)C=O HMDB0003052 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 NC(=O)C=C HMDB0004296 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 NC(=O)C=C HMDB0032161 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 NCC(O)=O HMDB0000123 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 OC(=O)C#C HMDB0006804 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 OC(=O)C=C HMDB0031647 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 OC(=O)C=O HMDB0000119 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 OC(=O)CCl HMDB0031331 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 OCC(O)=O HMDB0000115 [0,0,0,0,0,0|2,0,2]=4 20 B3R0.1 C(=O)CCl HMDB0013860 [1,0,0,0,0,0|3,0,0]=4 21 B3R0.1 CCC=O HMDB0003366 [1,0,0,0,0,0|3,0,0]=4 22 B3R0.1 CNC=O HMDB0001122 [1,0,0,0,0,0|2,1,0]=4 23 B3R0.1 O=CC#C HMDB0006803 [1,0,0,0,0,0|3,0,0]=4 24 B3R0.1 OCC=O HMDB0003344 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 [O-]ON=O HMDB0002179 [1,0,0,0,0,0|1,1,1]=4 26 B3R0.2 CC(C)=O HMDB0001659 [1,0,0,0,0,0|3,0,0]=4 27 B3R0.2 CC(N)=O HMDB0031645 [1,0,0,0,0,0|2,1,0]=4 28 B3R0.2 CC(O)=O HMDB0000042 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.2 CC(S)=O HMDB0031188 [1,0,0,0,0,0|2,1,0]=4 30 B3R0.2 NC(N)=O HMDB0000294 [1,0,0,0,0,0|2,1,0]=4 31 B3R0.2 NC(O)=O HMDB0003551 [1,0,0,0,0,0|1,1,1]=4 32 B3R0.2 OC(O)=O HMDB0003538 [1,0,0,0,0,0|1,0,2]=4 33 B3R0.2 OC([O-])=O HMDB0000595 [1,0,0,0,0,0|1,0,2]=4 34 B3R0.2 OS([O-])=O HMDB0001033 [1,0,0,0,0,0|1,0,2]=4 35 B3R0.2 [O-]C([O-])=O HMDB0031453 [1,0,0,0,0,0|1,0,2]=4 36 B3R0.2 [O-]S([O-])=O HMDB0000240 [1,0,0,0,0,0|1,0,2]=4 37 B3R0.2 [O-][Cl](=O)=O HMDB0002036 [1,0,0,0,0,0|1,0,1]=3 38 B3R0.2 [O-][I](=O)=O HMDB0001061 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.2 [O-][N+]([O-])=O HMDB0002878 [1,0,0,0,0,0|0,1,2]=4 40 B3R0.2 [O-][Se]([O-])=O HMDB0011119 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.1 OC(=O)CC=O HMDB0011111 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.4 CSS(C)(=O)=O HMDB0031832 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,1,0,0,0,0|2,0,1]=4 46 B2R0.1 CC=O HMDB0000990 [2,0,0,0,0,0|2,0,0]=4 47 B2R0.1 NC=O HMDB0001536 [2,0,0,0,0,0|1,1,0]=4 48 B2R0.1 O=C=O HMDB0001967 [2,0,0,0,0,0|1,0,0]=3 49 B2R0.1 O=[Te]=O HMDB0012288 [2,0,0,0,0,0|1,0,0]=3 50 B2R0.1 [O-]N=O HMDB0002786 [2,0,0,0,0,0|0,1,1]=4 51 B2R0.1 [O-][Cl]=O HMDB0002077 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.2 O=CCC=O HMDB0006112 [1,1,0,0,0,0|2,0,0]=4 53 B4R0.3 CS(C)(=O)=O HMDB0004983 [1,1,0,0,0,0|2,0,0]=4 54 B4R0.3 [O-]S([O-])(=O)=O HMDB0001448 [1,1,0,0,0,0|1,0,1]=4 55 B4R0.3 [O-]S([S-])(=O)=O HMDB0000257 [1,1,0,0,0,0|1,0,1]=4