0 B3R0.2 CC(=O)O HMDB0000042 [0,0,0,0,0,0|0,0,0]=0 1 B3R0.2 CC(C)=O HMDB0001659 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 CC(C)O HMDB0000863 [0,0,0,0,0,0|1,0,1]=2 3 B3R0.2 CN(C)C HMDB0000906 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 N=C(N)N HMDB0001842 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 NC(N)=O HMDB0000294 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 O=C(O)O HMDB0000595 [0,0,0,0,0,0|1,0,0]=1 7 B3R0.2 O=S(O)O HMDB0000240 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 O=[N+]([O-])[O-] HMDB0002878 [0,0,0,0,0,0|2,0,1]=3 9 B2R0.1 CC=O HMDB0000990 [1,0,0,0,0,0|0,0,0]=1 10 B2R0.1 CCN HMDB0013231 [1,0,0,0,0,0|1,0,1]=3 11 B2R0.1 CCO HMDB0000108 [1,0,0,0,0,0|0,0,1]=2 12 B2R0.1 CNC HMDB0000087 [1,0,0,0,0,0|2,0,0]=3 13 B2R0.1 CSC HMDB0002303 [1,0,0,0,0,0|2,0,0]=3 14 B2R0.1 N#C[S-] HMDB0001453 [1,0,0,0,0,0|1,1,1]=4 15 B2R0.1 O=C=O HMDB0001967 [1,0,0,0,0,0|0,0,2]=3 16 B2R0.1 O=CO HMDB0000142 [1,0,0,0,0,0|0,0,0]=1 17 B2R0.1 O=NO HMDB0002786 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 CC(=O)C=O HMDB0001167 [0,1,0,0,0,0|0,0,1]=2 19 B4R0.1 CC(=O)CN HMDB0002134 [0,1,0,0,0,0|1,0,0]=2 20 B4R0.1 CC(=O)CO HMDB0006961 [0,1,0,0,0,0|0,0,0]=1 21 B4R0.1 CC(=O)NO HMDB0014691 [0,1,0,0,0,0|0,0,0]=1 22 B4R0.1 CC(N)CN HMDB0013136 [0,1,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(O)CO HMDB0001881 [0,1,0,0,0,0|0,0,2]=3 24 B4R0.1 CCC(=O)O HMDB0000237 [0,1,0,0,0,0|0,0,0]=1 25 B4R0.1 CCC(C)=O HMDB0000474 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 CN(C)C=O HMDB0001888 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 CNC(=N)N HMDB0001522 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 C\C(O)=N\N HMDB0060428 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 NC(=O)NO HMDB0015140 [0,1,0,0,0,0|1,0,0]=2 30 B4R0.1 NCC(=O)O HMDB0000123 [0,1,0,0,0,0|0,0,0]=1 31 B4R0.1 O=C(O)CO HMDB0000115 [0,1,0,0,0,0|0,0,0]=1 32 B4R0.1 O=CC(=O)O HMDB0000119 [0,1,0,0,0,0|0,0,1]=2 33 B4R0.3 CS(C)(=O)=O HMDB0004983 [0,1,0,0,0,0|1,0,1]=3 34 B4R0.3 C[As](C)(=O)O HMDB0011625 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.3 C[As](C)(=O)O HMDB0094715 [0,1,0,0,0,0|1,0,0]=2 36 B4R0.3 C[N+](C)(C)[O-] HMDB0000925 [0,1,0,0,0,0|2,0,1]=4 37 B4R0.3 NS(=O)(=O)O HMDB0034830 [0,1,0,0,0,0|2,0,0]=3 38 B4R0.3 O=P(O)(O)O HMDB0001429 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.3 O=P(O)(O)O HMDB0002142 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.3 O=S(=O)(O)O HMDB0001448 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.3 O=S(=O)(O)S HMDB0000257 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.3 O=[Se](=O)(O)O HMDB0062761 [0,1,0,0,0,0|2,0,0]=3 43 B1R0.1 C#[N-] HMDB0002084 [2,0,0,0,0,0|1,0,1]=4 44 B1R0.1 C=O HMDB0001426 [2,0,0,0,0,0|0,0,0]=2 45 B1R0.1 CN HMDB0000164 [2,0,0,0,0,0|1,0,0]=3 46 B1R0.1 CO HMDB0001875 [2,0,0,0,0,0|0,0,0]=2 47 B1R0.1 CS HMDB0003227 [2,0,0,0,0,0|0,1,0]=3 48 B1R0.1 Cl[Tl] HMDB0013724 [2,0,0,0,0,0|2,0,0]=4 49 B1R0.1 II HMDB0000675 [2,0,0,0,0,0|2,0,0]=4 50 B1R0.1 N#N HMDB0001371 [2,0,0,0,0,0|2,0,0]=4 51 B1R0.1 NN HMDB0012973 [2,0,0,0,0,0|2,0,0]=4 52 B1R0.1 NO HMDB0003338 [2,0,0,0,0,0|1,0,0]=3 53 B1R0.1 O=[Mg] HMDB0015458 [2,0,0,0,0,0|1,0,0]=3 54 B1R0.1 S=[Se] HMDB0015106 [2,0,0,0,0,0|0,2,0]=4 55 B3R0.1 C(=O)CCl HMDB0013860 [1,1,0,0,0,0|0,0,0]=2 56 B3R0.1 C=CC=O HMDB0041822 [1,1,0,0,0,0|0,0,1]=3 57 B3R0.1 CSSC HMDB0005879 [1,1,0,0,0,0|1,1,0]=4 58 B3R0.1 NCCN HMDB0031225 [1,1,0,0,0,0|1,0,1]=4 59 B3R0.1 NCCO HMDB0000149 [1,1,0,0,0,0|0,0,1]=3 60 B3R0.1 NCCS HMDB0002991 [1,1,0,0,0,0|0,1,1]=4 61 B5R0.1 C=CCS(C)=O HMDB0112254 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.1 CC(C)CC=O HMDB0006478 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.1 CCCC(=O)O HMDB0000039 [0,2,0,0,0,0|0,0,0]=2 64 B5R0.1 CCCC(C)=O HMDB0034235 [0,2,0,0,0,0|1,0,0]=3 65 B5R0.1 CCOC(C)=O HMDB0031217 [0,2,0,0,0,0|0,0,0]=2 66 B5R0.1 CNCC(=O)O HMDB0000271 [0,2,0,0,0,0|0,0,0]=2 67 B5R0.1 NCCC(=O)O HMDB0000056 [0,2,0,0,0,0|0,0,0]=2 68 B5R0.1 NCCS(=O)O HMDB0000965 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.1 O=C(O)CCO HMDB0000700 [0,2,0,0,0,0|0,0,0]=2 70 B5R0.3 O=C(CO)CO HMDB0001882 [0,2,0,0,0,0|0,0,0]=2 71 B5R0.3 O=CC(O)CO HMDB0001051 [0,2,0,0,0,0|0,0,1]=3 72 B5R0.3 OCC(O)CO HMDB0000131 [0,2,0,0,0,0|0,0,2]=4 73 B5R0.3 OCC(S)CS HMDB0015677 [0,2,0,0,0,0|0,1,1]=4 74 B5R0.5 CC(=O)C(=O)O HMDB0000243 [0,2,0,0,0,0|0,0,0]=2 75 B5R0.5 CC(=O)C(C)O HMDB0003243 [0,2,0,0,0,0|0,0,0]=2 76 B5R0.5 CC(C)C(=O)O HMDB0001873 [0,2,0,0,0,0|0,0,0]=2 77 B5R0.5 C[C@@H](O)C(=O)O HMDB0000190 [0,2,0,0,0,0|0,0,0]=2 78 B5R0.5 C[C@@H](O)C(=O)O HMDB0001311 [0,2,0,0,0,0|0,0,0]=2 79 B5R0.5 C[C@H](N)C(=O)O HMDB0000161 [0,2,0,0,0,0|0,0,0]=2 80 B5R0.5 O=C(O)C(=O)O HMDB0002329 [0,2,0,0,0,0|0,0,1]=3