0 B3R0.2 CC(C)=O HMDB0001659 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 CC(C)O HMDB0000863 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 CC(C)S HMDB0031634 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 CC(N)=O HMDB0031645 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.2 CC(O)=O HMDB0000042 [0,0,0,0,0,0|3,0,1]=4 5 B3R0.2 CC(S)=O HMDB0031188 [0,0,0,0,0,0|3,0,1]=4 6 B3R0.2 CC(S)S HMDB0032253 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 C[As](C)O HMDB0012216 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 C[As](O)O HMDB0012259 [0,0,0,0,0,0|4,0,0]=4 9 B3R0.2 C[S+](C)C HMDB0012295 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 C[Se+](C)C HMDB0042052 [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 ClC(Cl)=C HMDB0032554 [0,0,0,0,0,0|1,0,1]=2 12 B3R0.2 ClC(Cl)Cl HMDB0029596 [0,0,0,0,0,0|0,0,0]=0 13 B3R0.2 NC(N)=N HMDB0001842 [0,0,0,0,0,0|3,0,1]=4 14 B3R0.2 NC(N)=O HMDB0000294 [0,0,0,0,0,0|3,0,1]=4 15 B3R0.2 NC(O)=O HMDB0003551 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.2 OC(O)=O HMDB0003538 [0,0,0,0,0,0|3,0,1]=4 17 B3R0.2 OC([O-])=O HMDB0000595 [0,0,0,0,0,0|3,0,1]=4 18 B3R0.2 OS([O-])=O HMDB0001033 [0,0,0,0,0,0|4,0,0]=4 19 B3R0.2 [O-]C([O-])=O HMDB0031453 [0,0,0,0,0,0|3,0,1]=4 20 B3R0.2 [O-]P([O-])[O-] HMDB0001443 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.2 [O-]S([O-])=O HMDB0000240 [0,0,0,0,0,0|4,0,0]=4 22 B3R0.2 [O-][As]([O-])[O-] HMDB0011620 [0,0,0,0,0,0|4,0,0]=4 23 B3R0.2 [O-][Cl](=O)=O HMDB0002036 [0,0,0,0,0,0|4,0,0]=4 24 B3R0.2 [O-][I](=O)=O HMDB0001061 [0,0,0,0,0,0|4,0,0]=4 25 B3R0.2 [O-][N+]([O-])=O HMDB0002878 [0,0,0,0,0,0|4,0,0]=4 26 B3R0.2 [O-][Se]([O-])=O HMDB0011119 [0,0,0,0,0,0|4,0,0]=4 27 B2R0.1 CC=O HMDB0000990 [1,0,0,0,0,0|2,0,1]=4 28 B2R0.1 CCC HMDB0031630 [1,0,0,0,0,0|2,0,0]=3 29 B2R0.1 CCN HMDB0013231 [1,0,0,0,0,0|2,0,0]=3 30 B2R0.1 CNC HMDB0000087 [1,0,0,0,0,0|3,0,0]=4 31 B2R0.1 CSC HMDB0002303 [1,0,0,0,0,0|3,0,0]=4 32 B2R0.1 ClCCl HMDB0031548 [1,0,0,0,0,0|0,0,0]=1 33 B2R0.1 NC=O HMDB0001536 [1,0,0,0,0,0|2,0,1]=4 34 B2R0.1 O=C=O HMDB0001967 [1,0,0,0,0,0|2,0,1]=4 35 B2R0.1 O=[Te]=O HMDB0012288 [1,0,0,0,0,0|3,0,0]=4 36 B2R0.1 [O-]C#N HMDB0002078 [1,0,0,0,0,0|2,0,1]=4 37 B2R0.1 [O-]N=O HMDB0002786 [1,0,0,0,0,0|3,0,0]=4 38 B2R0.1 [O-][Cl]=O HMDB0002077 [1,0,0,0,0,0|3,0,0]=4 39 B2R0.1 [S-]C#N HMDB0001453 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(C)C=O HMDB0031243 [0,1,0,0,0,0|3,0,0]=4 41 B4R0.1 CC(C)CO HMDB0006006 [0,1,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(C)CS HMDB0031245 [0,1,0,0,0,0|3,0,0]=4 43 B4R0.1 CC(Cl)CO HMDB0031335 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(N)CN HMDB0013136 [0,1,0,0,0,0|3,0,0]=4 45 B4R0.1 CC(O)CN HMDB0012136 [0,1,0,0,0,0|3,0,0]=4 46 B4R0.1 CC(S)CS HMDB0031631 [0,1,0,0,0,0|3,0,0]=4 47 B4R0.1 CCC(C)N HMDB0032179 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.1 CCC(C)O HMDB0011469 [0,1,0,0,0,0|3,0,0]=4 49 B4R0.1 C[C@@H](O)C=O HMDB0006458 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.1 C[C@H](O)C=O HMDB0003052 [0,1,0,0,0,0|3,0,0]=4 51 B4R0.1 C[C@H](O)CO HMDB0006213 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.1 ClC=C(Cl)Cl HMDB0029593 [0,1,0,0,0,0|0,0,1]=2 53 B4R0.1 OC(=O)CCl HMDB0031331 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.3 CC(C)(C)O HMDB0031456 [0,1,0,0,0,0|3,0,0]=4 55 B4R0.3 ClC(Cl)(Cl)Cl HMDB0031330 [0,1,0,0,0,0|0,0,0]=1 56 B4R0.3 FC(F)(Cl)Cl HMDB0029570 [0,1,0,0,0,0|0,1,0]=2 57 B4R1.2 CC1CO1 HMDB0031558 [0,0,0,1,0,0|3,0,0]=4 58 B4R1.2 CC1CO1 HMDB0032263 [0,0,0,1,0,0|3,0,0]=4 59 B1R0.1 BrBr HMDB0031434 [2,0,0,0,0,0|0,2,0]=4 60 B1R0.1 C#[N-] HMDB0002084 [2,0,0,0,0,0|1,0,1]=4 61 B1R0.1 C=C HMDB0029594 [2,0,0,0,0,0|1,0,1]=4 62 B1R0.1 C=O HMDB0001426 [2,0,0,0,0,0|1,0,1]=4 63 B1R0.1 CBr HMDB0031524 [2,0,0,0,0,0|0,1,0]=3 64 B1R0.1 CN HMDB0000164 [2,0,0,0,0,0|1,0,0]=3 65 B1R0.1 CS HMDB0003227 [2,0,0,0,0,0|1,0,0]=3 66 B1R0.1 Cl[Tl] HMDB0013724 [2,0,0,0,0,0|1,0,0]=3 67 B1R0.1 NN HMDB0012973 [2,0,0,0,0,0|2,0,0]=4 68 B1R0.1 NO HMDB0003338 [2,0,0,0,0,0|2,0,0]=4 69 B1R0.1 O=O HMDB0001377 [2,0,0,0,0,0|2,0,0]=4 70 B1R0.1 OO HMDB0003125 [2,0,0,0,0,0|2,0,0]=4 71 B1R0.1 [C-]#[O+] HMDB0001361 [2,0,0,0,0,0|1,0,1]=4 72 B1R0.1 [H][H] HMDB0001362 [2,0,0,0,0,0|2,0,0]=4 73 B1R0.1 [NH3+][O-] HMDB0032439 [2,0,0,0,0,0|2,0,0]=4 74 B1R0.1 [N]=O HMDB0003378 [2,0,0,0,0,0|2,0,0]=4 75 B1R0.1 [O-]Cl HMDB0001050 [2,0,0,0,0,0|1,0,0]=3 76 B1R0.1 [O][O-] HMDB0002168 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.1 C(=O)CCl HMDB0013860 [1,1,0,0,0,0|1,0,0]=3 78 B3R0.1 CCC=O HMDB0003366 [1,1,0,0,0,0|2,0,0]=4 79 B3R0.1 CCCO HMDB0000820 [1,1,0,0,0,0|2,0,0]=4 80 B3R0.1 CCSC HMDB0031238 [1,1,0,0,0,0|2,0,0]=4 81 B3R0.1 COCCl HMDB0031332 [1,1,0,0,0,0|1,0,0]=3 82 B3R0.1 CSCS HMDB0032428 [1,1,0,0,0,0|2,0,0]=4 83 B3R0.1 ClCCCl HMDB0029571 [1,1,0,0,0,0|0,0,0]=2 84 B3R0.1 NCCN HMDB0031225 [1,1,0,0,0,0|2,0,0]=4 85 B3R0.1 NCCO HMDB0000149 [1,1,0,0,0,0|2,0,0]=4 86 B3R0.1 NCCS HMDB0002991 [1,1,0,0,0,0|2,0,0]=4 87 B3R0.1 OCC=C HMDB0031652 [1,1,0,0,0,0|2,0,0]=4 88 B3R0.1 OCC=O HMDB0003344 [1,1,0,0,0,0|2,0,0]=4 89 B3R0.1 OCCO HMDB0032262 [1,1,0,0,0,0|2,0,0]=4 90 B3R0.1 SCC=C HMDB0031635 [1,1,0,0,0,0|2,0,0]=4 91 B3R0.1 SCCS HMDB0031707 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.3 OCC(O)CCl HMDB0031334 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.4 OCC(Cl)(Cl)Cl HMDB0041796 [0,2,0,0,0,0|0,0,0]=2