0 B3R0.1 C(=O)CCl HMDB0013860 [0,0,0,0,0,0|2,1,1]=4 1 B3R0.1 C/C=N/O HMDB0003656 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.1 CCC=O HMDB0003366 [0,0,0,0,0,0|1,1,1]=3 3 B3R0.1 CCCO HMDB0000820 [0,0,0,0,0,0|1,1,1]=3 4 B3R0.1 CCSC HMDB0031238 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.1 CNC=O HMDB0001122 [0,0,0,0,0,0|0,1,2]=3 6 B3R0.1 COCCl HMDB0031332 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.1 COOC HMDB0031430 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.1 CSCS HMDB0032428 [0,0,0,0,0,0|1,0,2]=3 9 B3R0.1 CSSC HMDB0005879 [0,0,0,0,0,0|3,0,0]=3 10 B3R0.1 CS[Se]C HMDB0030879 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.1 ClCCCl HMDB0029571 [0,0,0,0,0,0|3,0,1]=4 12 B3R0.1 NCCN HMDB0031225 [0,0,0,0,0,0|3,0,1]=4 13 B3R0.1 NCCO HMDB0000149 [0,0,0,0,0,0|2,1,1]=4 14 B3R0.1 NCCS HMDB0002991 [0,0,0,0,0,0|2,0,2]=4 15 B3R0.1 O=CC#C HMDB0006803 [0,0,0,0,0,0|1,1,2]=4 16 B3R0.1 OCC=C HMDB0031652 [0,0,0,0,0,0|1,1,2]=4 17 B3R0.1 OCC=O HMDB0003344 [0,0,0,0,0,0|2,1,1]=4 18 B3R0.1 OCCO HMDB0032262 [0,0,0,0,0,0|2,1,1]=4 19 B3R0.1 OSC#N HMDB0012974 [0,0,0,0,0,0|3,0,1]=4 20 B3R0.1 SCC=C HMDB0031635 [0,0,0,0,0,0|1,0,3]=4 21 B3R0.1 SCCS HMDB0031707 [0,0,0,0,0,0|2,0,2]=4 22 B3R0.1 [O-]ON=O HMDB0002179 [0,0,0,0,0,0|2,1,0]=3 23 B2R0.1 CC=O HMDB0000990 [1,0,0,0,0,0|0,1,1]=3 24 B2R0.1 CCC HMDB0031630 [1,0,0,0,0,0|1,0,1]=3 25 B2R0.1 CCN HMDB0013231 [1,0,0,0,0,0|1,0,1]=3 26 B2R0.1 CNC HMDB0000087 [1,0,0,0,0,0|0,0,2]=3 27 B2R0.1 CSC HMDB0002303 [1,0,0,0,0,0|1,0,1]=3 28 B2R0.1 ClCCl HMDB0031548 [1,0,0,0,0,0|2,0,1]=4 29 B2R0.1 NC=O HMDB0001536 [1,0,0,0,0,0|0,1,2]=4 30 B2R0.1 O=C=O HMDB0001967 [1,0,0,0,0,0|1,1,0]=3 31 B2R0.1 O=[Te]=O HMDB0012288 [1,0,0,0,0,0|2,1,0]=4 32 B2R0.1 [O-]C#N HMDB0002078 [1,0,0,0,0,0|0,1,2]=4 33 B2R0.1 [O-]N=O HMDB0002786 [1,0,0,0,0,0|1,1,0]=3 34 B2R0.1 [O-][Cl]=O HMDB0002077 [1,0,0,0,0,0|2,1,0]=4 35 B2R0.1 [S-]C#N HMDB0001453 [1,0,0,0,0,0|0,0,3]=4 36 B4R0.1 CC(=C)C=C HMDB0032344 [0,1,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(=O)C=O HMDB0001167 [0,1,0,0,0,0|1,1,1]=4 38 B4R0.1 CC(=O)CN HMDB0002134 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(=O)CO HMDB0006961 [0,1,0,0,0,0|1,1,1]=4 40 B4R0.1 CC(=O)CS HMDB0030025 [0,1,0,0,0,0|1,0,2]=4 41 B4R0.1 CC(=O)OO HMDB0031608 [0,1,0,0,0,0|2,1,0]=4 42 B4R0.1 CC(C)C=O HMDB0031243 [0,1,0,0,0,0|1,1,1]=4 43 B4R0.1 CC(C)CO HMDB0006006 [0,1,0,0,0,0|1,1,1]=4 44 B4R0.1 CC(C)CS HMDB0031245 [0,1,0,0,0,0|1,0,2]=4 45 B4R0.1 CC(Cl)CO HMDB0031335 [0,1,0,0,0,0|1,1,1]=4 46 B4R0.1 CC(N)CN HMDB0013136 [0,1,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(O)CN HMDB0012136 [0,1,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(S)CS HMDB0031631 [0,1,0,0,0,0|1,0,2]=4 49 B4R0.1 CCC(C)=O HMDB0000474 [0,1,0,0,0,0|1,1,1]=4 50 B4R0.1 CCC(C)N HMDB0032179 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 CCC(C)O HMDB0011469 [0,1,0,0,0,0|1,1,1]=4 52 B4R0.1 CN(C)N=O HMDB0031419 [0,1,0,0,0,0|1,1,1]=4 53 B4R0.1 CNC(N)=N HMDB0001522 [0,1,0,0,0,0|1,0,2]=4 54 B4R0.1 COC(C)=O HMDB0031523 [0,1,0,0,0,0|1,1,1]=4 55 B4R0.1 CSC(C)=O HMDB0031189 [0,1,0,0,0,0|1,1,1]=4 56 B4R0.1 C[C@@H](O)C=O HMDB0006458 [0,1,0,0,0,0|1,1,1]=4 57 B4R0.1 C[C@H](O)C=O HMDB0003052 [0,1,0,0,0,0|1,1,1]=4 58 B4R0.1 C[C@H](O)CO HMDB0006213 [0,1,0,0,0,0|1,1,1]=4 59 B4R0.2 C/C=C/SO HMDB0031636 [0,1,0,0,0,0|1,0,2]=4 60 B4R0.2 CCCC=O HMDB0003543 [0,1,0,0,0,0|1,1,1]=4 61 B4R0.2 CCCCC HMDB0029603 [0,1,0,0,0,0|2,0,1]=4 62 B4R0.2 CCCCN HMDB0031321 [0,1,0,0,0,0|2,0,1]=4 63 B4R0.2 CCCCO HMDB0004327 [0,1,0,0,0,0|1,1,1]=4 64 B4R0.2 CCCCS HMDB0031322 [0,1,0,0,0,0|1,0,2]=4 65 B4R0.2 CCCSO HMDB0030299 [0,1,0,0,0,0|1,0,2]=4 66 B4R0.2 CCNCC HMDB0041878 [0,1,0,0,0,0|1,0,2]=4 67 B4R0.2 CCOC=O HMDB0031229 [0,1,0,0,0,0|1,1,1]=4 68 B4R0.2 CCON=O HMDB0031239 [0,1,0,0,0,0|2,0,1]=4 69 B4R0.2 CCSCC HMDB0031666 [0,1,0,0,0,0|2,0,1]=4 70 B4R0.2 CSCC=C HMDB0031653 [0,1,0,0,0,0|2,0,1]=4 71 B4R0.2 CSCC=O HMDB0031718 [0,1,0,0,0,0|1,1,1]=4 72 B4R0.2 CSCCO HMDB0032425 [0,1,0,0,0,0|1,1,1]=4 73 B4R0.2 CSCSC HMDB0031317 [0,1,0,0,0,0|1,0,2]=4 74 B4R0.2 CSSSC HMDB0013780 [0,1,0,0,0,0|2,0,1]=4 75 B4R0.2 CS[Se]SC HMDB0030876 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.2 C[Se]CC=C HMDB0030878 [0,1,0,0,0,0|2,0,1]=4 77 B4R0.2 ClC/C=C/Cl HMDB0013592 [0,1,0,0,0,0|2,0,1]=4 78 B4R0.2 NCCC#N HMDB0004101 [0,1,0,0,0,0|2,0,1]=4 79 B4R0.2 NCCC=O HMDB0001106 [0,1,0,0,0,0|1,1,1]=4 80 B4R0.2 NCCCN HMDB0000002 [0,1,0,0,0,0|2,0,1]=4 81 B4R0.2 OCCC=C HMDB0031324 [0,1,0,0,0,0|2,0,1]=4 82 B4R0.2 OCCC=O HMDB0003453 [0,1,0,0,0,0|1,1,1]=4 83 B4R0.2 SCCCS HMDB0031632 [0,1,0,0,0,0|1,0,2]=4 84 B4R1.2 CC1CO1 HMDB0031558 [0,0,0,1,0,0|1,1,1]=4 85 B4R1.2 CC1CO1 HMDB0032263 [0,0,0,1,0,0|1,1,1]=4 86 B1R0.1 BrBr HMDB0031434 [2,0,0,0,0,0|2,0,0]=4 87 B1R0.1 C#[N-] HMDB0002084 [2,0,0,0,0,0|0,0,2]=4 88 B1R0.1 C=C HMDB0029594 [2,0,0,0,0,0|0,0,2]=4 89 B1R0.1 C=O HMDB0001426 [2,0,0,0,0,0|0,1,1]=4 90 B1R0.1 CBr HMDB0031524 [2,0,0,0,0,0|1,0,0]=3 91 B1R0.1 CN HMDB0000164 [2,0,0,0,0,0|0,0,1]=3 92 B1R0.1 CS HMDB0003227 [2,0,0,0,0,0|0,0,1]=3 93 B1R0.1 Cl[Tl] HMDB0013724 [2,0,0,0,0,0|2,0,0]=4 94 B1R0.1 NN HMDB0012973 [2,0,0,0,0,0|1,0,1]=4 95 B1R0.1 NO HMDB0003338 [2,0,0,0,0,0|0,1,1]=4 96 B1R0.1 O=O HMDB0001377 [2,0,0,0,0,0|1,1,0]=4 97 B1R0.1 OO HMDB0003125 [2,0,0,0,0,0|1,1,0]=4 98 B1R0.1 [C-]#[O+] HMDB0001361 [2,0,0,0,0,0|0,1,1]=4 99 B1R0.1 [H][H] HMDB0001362 [2,0,0,0,0,0|2,0,0]=4 100 B1R0.1 [NH3+][O-] HMDB0032439 [2,0,0,0,0,0|0,1,1]=4 101 B1R0.1 [N]=O HMDB0003378 [2,0,0,0,0,0|0,1,1]=4 102 B1R0.1 [O-]Cl HMDB0001050 [2,0,0,0,0,0|1,1,0]=4 103 B1R0.1 [O][O-] HMDB0002168 [2,0,0,0,0,0|1,1,0]=4 104 B3R0.2 CC(C)=O HMDB0001659 [1,1,0,0,0,0|0,1,1]=4 105 B3R0.2 CC(C)O HMDB0000863 [1,1,0,0,0,0|0,1,1]=4 106 B3R0.2 CC(C)S HMDB0031634 [1,1,0,0,0,0|0,0,2]=4 107 B3R0.2 CC(N)=O HMDB0031645 [1,1,0,0,0,0|0,1,1]=4 108 B3R0.2 CC(O)=O HMDB0000042 [1,1,0,0,0,0|0,1,1]=4 109 B3R0.2 CC(S)=O HMDB0031188 [1,1,0,0,0,0|0,0,2]=4 110 B3R0.2 CC(S)S HMDB0032253 [1,1,0,0,0,0|0,0,2]=4 111 B3R0.2 C[As](C)O HMDB0012216 [1,1,0,0,0,0|0,1,1]=4 112 B3R0.2 C[As](O)O HMDB0012259 [1,1,0,0,0,0|0,2,0]=4 113 B3R0.2 C[S+](C)C HMDB0012295 [1,1,0,0,0,0|1,0,1]=4 114 B3R0.2 C[Se+](C)C HMDB0042052 [1,1,0,0,0,0|1,0,1]=4 115 B3R0.2 NC(N)=N HMDB0001842 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.2 C=CCN=C=S HMDB0005843 [0,2,0,0,0,0|0,0,0]=2 117 B5R1.1 C1CC=NC1 HMDB0012497 [0,1,0,1,0,0|1,0,1]=4