0 B4R0.1 CC(=C)C=C HMDB0032344 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 CC(=O)C=O HMDB0001167 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 CC(=O)CN HMDB0002134 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CC(=O)CO HMDB0006961 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(=O)CS HMDB0030025 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)OO HMDB0031608 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 CC(C)C=O HMDB0031243 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(Cl)CO HMDB0031335 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CCC(C)=O HMDB0000474 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CNC(N)=N HMDB0001522 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 COC(C)=O HMDB0031523 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.1 CSC(C)=O HMDB0031189 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.1 C[C@@H](O)C=O HMDB0006458 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C[C@H](O)C=O HMDB0003052 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 ClC=C(Cl)Cl HMDB0029593 [0,0,0,0,0,0|0,0,0]=0 15 B4R0.1 NC(=O)C=C HMDB0004296 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 NC(=O)C=C HMDB0032161 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 NCC(O)=O HMDB0000123 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 OC(=O)C#C HMDB0006804 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 OC(=O)C=C HMDB0031647 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 OC(=O)C=O HMDB0000119 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.1 OC(=O)CCl HMDB0031331 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 OCC(O)=O HMDB0000115 [0,0,0,0,0,0|3,0,1]=4 23 B3R0.1 C(=O)CCl HMDB0013860 [1,0,0,0,0,0|1,0,1]=3 24 B3R0.1 C/C=N/O HMDB0003656 [1,0,0,0,0,0|3,0,0]=4 25 B3R0.1 CCC=O HMDB0003366 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 CNC=O HMDB0001122 [1,0,0,0,0,0|3,0,0]=4 27 B3R0.1 COCCl HMDB0031332 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.1 ClCCCl HMDB0029571 [1,0,0,0,0,0|0,0,2]=3 29 B3R0.1 O=CC#C HMDB0006803 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.1 OCC=C HMDB0031652 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 OCC=O HMDB0003344 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 SCC=C HMDB0031635 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.2 CC(C)=O HMDB0001659 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.2 CC(N)=O HMDB0031645 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.2 CC(O)=O HMDB0000042 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.2 CC(S)=O HMDB0031188 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.2 ClC(Cl)=C HMDB0032554 [1,0,0,0,0,0|0,0,0]=1 38 B3R0.2 ClC(Cl)Cl HMDB0029596 [1,0,0,0,0,0|0,0,1]=2 39 B3R0.2 NC(N)=N HMDB0001842 [1,0,0,0,0,0|3,0,0]=4 40 B3R0.2 NC(N)=O HMDB0000294 [1,0,0,0,0,0|3,0,0]=4 41 B3R0.2 NC(O)=O HMDB0003551 [1,0,0,0,0,0|3,0,0]=4 42 B3R0.2 OC(O)=O HMDB0003538 [1,0,0,0,0,0|3,0,0]=4 43 B3R0.2 OC([O-])=O HMDB0000595 [1,0,0,0,0,0|3,0,0]=4 44 B3R0.2 [O-]C([O-])=O HMDB0031453 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 C/C=C/C(C)=O HMDB0001184 [0,1,0,0,0,0|3,0,0]=4 46 B5R0.1 C/C=C/C(O)=O HMDB0010720 [0,1,0,0,0,0|3,0,0]=4 47 B5R0.1 C/C=C\C(O)=O HMDB0034439 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.1 CC(=O)CC=C HMDB0031606 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.1 CC(=O)OC=C HMDB0031209 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.1 CC(C)=CC=O HMDB0012157 [0,1,0,0,0,0|3,0,0]=4 51 B5R0.1 CC(C)=CCO HMDB0030124 [0,1,0,0,0,0|3,0,0]=4 52 B5R0.1 CC(C)=CCS HMDB0031529 [0,1,0,0,0,0|3,0,0]=4 53 B5R0.1 OC(=O)CC=O HMDB0011111 [0,1,0,0,0,0|3,0,0]=4 54 B5R0.3 C/C=C(/C)C=O HMDB0031512 [0,1,0,0,0,0|3,0,0]=4 55 B5R0.3 CCC(=O)C=C HMDB0031607 [0,1,0,0,0,0|3,0,0]=4 56 B5R0.4 OCC(Cl)(Cl)Cl HMDB0041796 [0,1,0,0,0,0|1,0,2]=4 57 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,1,0,0,0,0|3,0,0]=4 59 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,1,0,0,0,0|3,0,0]=4 61 B2R0.1 CC=O HMDB0000990 [2,0,0,0,0,0|1,0,1]=4 62 B2R0.1 ClCCl HMDB0031548 [2,0,0,0,0,0|0,0,1]=3 63 B2R0.1 NC=O HMDB0001536 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 C/C=C/SO HMDB0031636 [1,1,0,0,0,0|2,0,0]=4 65 B4R0.2 ClC/C=C/Cl HMDB0013592 [1,1,0,0,0,0|0,0,0]=2 66 B4R0.2 O=CCC=O HMDB0006112 [1,1,0,0,0,0|2,0,0]=4 67 B4R0.3 ClC(Cl)(Cl)Cl HMDB0031330 [1,1,0,0,0,0|0,0,1]=3 68 B4R0.3 FC(F)(Cl)Cl HMDB0029570 [1,1,0,0,0,0|0,1,1]=4 69 B6R0.7 OC(=O)C(Cl)(Cl)Cl HMDB0042048 [0,2,0,0,0,0|1,0,1]=4