0 B4R0.1 CC(=C)C=C HMDB0032344 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CC(=O)C=O HMDB0001167 [0,0,0,0,0,0|0,0,4]=4 2 B4R0.1 CC(=O)CN HMDB0002134 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 CC(=O)CO HMDB0006961 [0,0,0,0,0,0|0,0,2]=2 4 B4R0.1 CC(=O)CS HMDB0030025 [0,0,0,0,0,0|0,1,2]=3 5 B4R0.1 CC(=O)OO HMDB0031608 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 CC(C)C=O HMDB0031243 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.1 CC(C)CO HMDB0006006 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.1 CC(C)CS HMDB0031245 [0,0,0,0,0,0|1,1,0]=2 9 B4R0.1 CC(Cl)CO HMDB0031335 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 CC(N)CN HMDB0013136 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CC(O)CN HMDB0012136 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.1 CC(S)CS HMDB0031631 [0,0,0,0,0,0|0,2,0]=2 13 B4R0.1 CCC(C)=O HMDB0000474 [0,0,0,0,0,0|1,0,2]=3 14 B4R0.1 CCC(C)N HMDB0032179 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 CCC(C)O HMDB0011469 [0,0,0,0,0,0|1,0,0]=1 16 B4R0.1 CN(C)N=O HMDB0031419 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 COC(C)=O HMDB0031523 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 CSC(C)=O HMDB0031189 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 C[C@@H](O)C=O HMDB0006458 [0,0,0,0,0,0|0,0,2]=2 20 B4R0.1 C[C@H](O)C=O HMDB0003052 [0,0,0,0,0,0|0,0,2]=2 21 B4R0.1 C[C@H](O)CO HMDB0006213 [0,0,0,0,0,0|0,0,0]=0 22 B4R0.1 NCC(O)=O HMDB0000123 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 OC(=O)C#C HMDB0006804 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.1 OC(=O)C=C HMDB0031647 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.1 OC(=O)C=O HMDB0000119 [0,0,0,0,0,0|1,0,3]=4 26 B4R0.1 OC(=O)CCl HMDB0031331 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 OCC(O)=O HMDB0000115 [0,0,0,0,0,0|1,0,1]=2 28 B4R0.1 O[S](O)C#N HMDB0012916 [0,0,0,0,0,0|3,0,1]=4 29 B3R0.1 C(=O)CCl HMDB0013860 [1,0,0,0,0,0|1,0,2]=4 30 B3R0.1 C/C=N/O HMDB0003656 [1,0,0,0,0,0|1,0,1]=3 31 B3R0.1 CCC=O HMDB0003366 [1,0,0,0,0,0|0,0,2]=3 32 B3R0.1 CCCO HMDB0000820 [1,0,0,0,0,0|0,0,0]=1 33 B3R0.1 CCSC HMDB0031238 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 CNC=O HMDB0001122 [1,0,0,0,0,0|1,0,2]=4 35 B3R0.1 COCCl HMDB0031332 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 COOC HMDB0031430 [1,0,0,0,0,0|3,0,0]=4 37 B3R0.1 CSCS HMDB0032428 [1,0,0,0,0,0|1,1,0]=3 38 B3R0.1 CSSC HMDB0005879 [1,0,0,0,0,0|3,0,0]=4 39 B3R0.1 CS[Se]C HMDB0030879 [1,0,0,0,0,0|3,0,0]=4 40 B3R0.1 ClCCCl HMDB0029571 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 NCCN HMDB0031225 [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 NCCO HMDB0000149 [1,0,0,0,0,0|1,0,0]=2 43 B3R0.1 NCCS HMDB0002991 [1,0,0,0,0,0|1,1,0]=3 44 B3R0.1 OCC=C HMDB0031652 [1,0,0,0,0,0|0,0,2]=3 45 B3R0.1 OCC=O HMDB0003344 [1,0,0,0,0,0|0,0,2]=3 46 B3R0.1 OCCO HMDB0032262 [1,0,0,0,0,0|0,0,0]=1 47 B3R0.1 OSC#N HMDB0012974 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.1 SCC=C HMDB0031635 [1,0,0,0,0,0|0,1,2]=4 49 B3R0.1 SCCS HMDB0031707 [1,0,0,0,0,0|0,2,0]=3 50 B3R0.2 CC(C)=O HMDB0001659 [1,0,0,0,0,0|0,0,2]=3 51 B3R0.2 CC(C)O HMDB0000863 [1,0,0,0,0,0|0,0,0]=1 52 B3R0.2 CC(C)S HMDB0031634 [1,0,0,0,0,0|0,1,0]=2 53 B3R0.2 CC(N)=O HMDB0031645 [1,0,0,0,0,0|1,0,2]=4 54 B3R0.2 CC(O)=O HMDB0000042 [1,0,0,0,0,0|0,0,2]=3 55 B3R0.2 CC(S)=O HMDB0031188 [1,0,0,0,0,0|0,1,2]=4 56 B3R0.2 CC(S)S HMDB0032253 [1,0,0,0,0,0|0,2,0]=3 57 B3R0.2 C[As](C)O HMDB0012216 [1,0,0,0,0,0|1,0,0]=2 58 B3R0.2 C[As](O)O HMDB0012259 [1,0,0,0,0,0|1,0,0]=2 59 B3R0.2 C[S+](C)C HMDB0012295 [1,0,0,0,0,0|2,0,0]=3 60 B3R0.2 C[Se+](C)C HMDB0042052 [1,0,0,0,0,0|2,0,0]=3 61 B3R0.2 ClC(Cl)Cl HMDB0029596 [1,0,0,0,0,0|3,0,0]=4 62 B3R0.2 NC(O)=O HMDB0003551 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.2 OC(O)=O HMDB0003538 [1,0,0,0,0,0|1,0,1]=3 64 B3R0.2 OC([O-])=O HMDB0000595 [1,0,0,0,0,0|1,0,2]=4 65 B3R0.2 OS([O-])=O HMDB0001033 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CC(=C)CCO HMDB0030126 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.1 CC(=O)CC=C HMDB0031606 [0,1,0,0,0,0|1,0,2]=4 68 B5R0.1 CC(C)=CCO HMDB0030124 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.1 CC(C)=CCS HMDB0031529 [0,1,0,0,0,0|1,1,1]=4 70 B5R0.1 CC(C)CCN HMDB0031659 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 CC(C)CCO HMDB0006007 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.1 CC(O)CCO HMDB0031320 [0,1,0,0,0,0|0,0,0]=1 73 B5R0.1 CCCC(O)=O HMDB0000039 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CCNC(C)=O HMDB0031215 [0,1,0,0,0,0|1,0,2]=4 75 B5R0.1 CCOC(C)=O HMDB0031217 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.1 CCOC(O)=O HMDB0031232 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 CCSC(C)=O HMDB0031190 [0,1,0,0,0,0|1,0,2]=4 78 B5R0.1 CN(C)CCO HMDB0032231 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.1 CNCC(O)=O HMDB0000271 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 COCC(O)=O HMDB0041929 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.1 NCCC(O)=O HMDB0000056 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 NCCS(O)=O HMDB0000965 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.1 OC(=O)CC=O HMDB0011111 [0,1,0,0,0,0|1,0,2]=4 84 B5R0.1 OC(=O)CCI HMDB0031252 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.1 OCCC(O)=O HMDB0000700 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.3 CCC(=O)CO HMDB0031507 [0,1,0,0,0,0|0,0,2]=3 87 B5R0.3 CCC(=O)OC HMDB0030062 [0,1,0,0,0,0|1,0,2]=4 88 B5R0.3 CCC(=O)SC HMDB0031192 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.3 CCC(C)C=O HMDB0031526 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.3 CCC(C)CN HMDB0032392 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.3 CCC(C)CO HMDB0031527 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.3 CCC(O)C=C HMDB0031605 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.3 CC[C@H](C)C=O HMDB0031525 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.3 COC(C)OC HMDB0030061 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.3 OCC(=O)CO HMDB0001882 [0,1,0,0,0,0|0,0,2]=3 96 B5R0.3 OCC(O)C=O HMDB0001051 [0,1,0,0,0,0|0,0,1]=2 97 B5R0.3 OCC(O)CCl HMDB0031334 [0,1,0,0,0,0|0,0,0]=1 98 B5R0.3 OCC(O)CO HMDB0000131 [0,1,0,0,0,0|0,0,0]=1 99 B5R0.4 OCC(Cl)(Cl)Cl HMDB0041796 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,1,0,0,0,0|0,0,3]=4 101 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.5 CC(O)C(C)O HMDB0003156 [0,1,0,0,0,0|0,0,0]=1 103 B5R0.5 CC(S)C(C)S HMDB0031157 [0,1,0,0,0,0|0,2,0]=3 104 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,1,0,0,0,0|0,1,1]=3 105 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,1,0,0,0,0|0,0,1]=2 107 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,1,0,0,0,0|0,0,1]=2 109 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,1,0,0,0,0|1,0,2]=4 110 B2R0.1 CC=O HMDB0000990 [2,0,0,0,0,0|0,0,2]=4 111 B2R0.1 CCC HMDB0031630 [2,0,0,0,0,0|0,0,0]=2 112 B2R0.1 CCN HMDB0013231 [2,0,0,0,0,0|1,0,0]=3 113 B2R0.1 CNC HMDB0000087 [2,0,0,0,0,0|1,0,0]=3 114 B2R0.1 CSC HMDB0002303 [2,0,0,0,0,0|1,0,0]=3 115 B2R0.1 ClCCl HMDB0031548 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.2 C/C=C/SO HMDB0031636 [1,1,0,0,0,0|0,0,2]=4 117 B4R0.2 CCCC=O HMDB0003543 [1,1,0,0,0,0|0,0,1]=3 118 B4R0.2 CCCCC HMDB0029603 [1,1,0,0,0,0|1,0,0]=3 119 B4R0.2 CCCCN HMDB0031321 [1,1,0,0,0,0|1,0,0]=3 120 B4R0.2 CCCCO HMDB0004327 [1,1,0,0,0,0|0,0,0]=2 121 B4R0.2 CCCCS HMDB0031322 [1,1,0,0,0,0|0,1,0]=3 122 B4R0.2 CCCSO HMDB0030299 [1,1,0,0,0,0|0,0,0]=2 123 B4R0.2 CCNCC HMDB0041878 [1,1,0,0,0,0|1,0,0]=3 124 B4R0.2 CCOC=O HMDB0031229 [1,1,0,0,0,0|0,0,2]=4 125 B4R0.2 CCON=O HMDB0031239 [1,1,0,0,0,0|1,0,1]=4 126 B4R0.2 CCSCC HMDB0031666 [1,1,0,0,0,0|1,0,0]=3 127 B4R0.2 CSCC=C HMDB0031653 [1,1,0,0,0,0|1,0,1]=4 128 B4R0.2 CSCC=O HMDB0031718 [1,1,0,0,0,0|0,0,2]=4 129 B4R0.2 CSCCO HMDB0032425 [1,1,0,0,0,0|0,0,0]=2 130 B4R0.2 CSCSC HMDB0031317 [1,1,0,0,0,0|1,1,0]=4 131 B4R0.2 C[Se]CC=C HMDB0030878 [1,1,0,0,0,0|1,0,1]=4 132 B4R0.2 NCCC#N HMDB0004101 [1,1,0,0,0,0|1,0,1]=4 133 B4R0.2 NCCC=O HMDB0001106 [1,1,0,0,0,0|0,0,2]=4 134 B4R0.2 NCCCN HMDB0000002 [1,1,0,0,0,0|1,0,0]=3 135 B4R0.2 OCCC=C HMDB0031324 [1,1,0,0,0,0|0,0,1]=3 136 B4R0.2 OCCC=O HMDB0003453 [1,1,0,0,0,0|0,0,1]=3 137 B4R0.2 SCCCS HMDB0031632 [1,1,0,0,0,0|0,1,0]=3 138 B4R0.3 CC(C)(C)O HMDB0031456 [1,1,0,0,0,0|0,0,0]=2 139 B4R0.3 CS(C)(=O)=O HMDB0004983 [1,1,0,0,0,0|1,0,1]=4 140 B4R0.3 C[As](C)([O-])=O HMDB0011625 [1,1,0,0,0,0|1,0,1]=4 141 B4R0.3 C[As](O)(O)=O HMDB0012258 [1,1,0,0,0,0|1,0,0]=3 142 B4R0.3 C[N+](C)(C)[O-] HMDB0000925 [1,1,0,0,0,0|1,0,1]=4 143 B4R0.3 OP(O)(O)=O HMDB0002142 [1,1,0,0,0,0|2,0,0]=4 144 B4R0.3 OP(O)(O)=[Se] HMDB0003840 [1,1,0,0,0,0|2,0,0]=4 145 B4R0.3 OP(O)([O-])=[Se] HMDB0006407 [1,1,0,0,0,0|2,0,0]=4 146 B4R0.3 O[As](O)(O)=O HMDB0012190 [1,1,0,0,0,0|2,0,0]=4 147 B4R0.3 O[Si](O)(O)O HMDB0031436 [1,1,0,0,0,0|1,1,0]=4 148 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,2,0,0,0,0|1,0,1]=4 149 B6R0.1 CCCC(C)C=O HMDB0031578 [0,2,0,0,0,0|1,0,1]=4 150 B6R0.1 CCCC(O)C=C HMDB0031503 [0,2,0,0,0,0|1,0,1]=4 151 B6R0.1 CCCC(O)CC HMDB0031493 [0,2,0,0,0,0|1,0,0]=3 152 B6R0.1 CCOC(C)CC HMDB0031326 [0,2,0,0,0,0|1,0,0]=3 153 B6R0.1 OC(CC#N)C=C HMDB0031339 [0,2,0,0,0,0|1,0,1]=4 154 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,2,0,0,0,0|0,0,2]=4 155 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,2,0,0,0,0|1,0,0]=3 157 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,2,0,0,0,0|2,0,0]=4 158 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,2,0,0,0,0|1,0,0]=3 159 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,2,0,0,0,0|0,0,0]=2 160 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,2,0,0,0,0|0,1,1]=4 161 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,2,0,0,0,0|2,0,0]=4 162 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,2,0,0,0,0|0,0,0]=2 163 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,2,0,0,0,0|0,0,0]=2 164 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,2,0,0,0,0|1,0,1]=4 165 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,2,0,0,0,0|0,0,2]=4 166 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,2,0,0,0,0|0,0,2]=4 167 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,2,0,0,0,0|1,0,0]=3 168 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,2,0,0,0,0|2,0,0]=4 169 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,2,0,0,0,0|1,0,0]=3 170 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,2,0,0,0,0|0,0,1]=3 172 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,2,0,0,0,0|1,0,1]=4 173 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,2,0,0,0,0|1,0,1]=4 175 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,2,0,0,0,0|0,0,2]=4 177 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,2,0,0,0,0|1,0,0]=3 178 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,2,0,0,0,0|0,0,0]=2 179 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,2,0,0,0,0|1,0,0]=3 180 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,2,0,0,0,0|0,0,0]=2 181 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,2,0,0,0,0|1,0,1]=4 182 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,2,0,0,0,0|1,0,0]=3 183 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,2,0,0,0,0|1,0,1]=4 184 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,2,0,0,0,0|1,0,1]=4 185 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,2,0,0,0,0|0,0,2]=4 188 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,2,0,0,0,0|0,0,1]=3 189 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,2,0,0,0,0|0,0,1]=3 191 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,2,0,0,0,0|0,0,1]=3 192 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,2,0,0,0,0|0,0,1]=3 193 B6R0.4 CC(C)CCC=O HMDB0001318 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.4 CC(C)CN=C=S HMDB0032345 [0,2,0,0,0,0|1,1,0]=4 195 B6R0.4 CC(C)COC=O HMDB0031247 [0,2,0,0,0,0|1,0,0]=3 196 B6R0.4 CCOCC(O)=O HMDB0031212 [0,2,0,0,0,0|1,0,1]=4 197 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,2,0,0,0,0|1,0,1]=4 198 B6R0.4 OCCCC(O)=O HMDB0000710 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.5 C[As+](C)(C)CCO HMDB0032683 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [0,2,0,0,0,0|2,0,0]=4 201 B6R0.9 CCC(CC)C=O HMDB0031220 [0,2,0,0,0,0|1,0,1]=4 202 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [0,2,0,0,0,0|1,0,1]=4 204 B4R1.2 CC1CO1 HMDB0031558 [1,0,0,1,0,0|0,0,0]=2 205 B4R1.2 CC1CO1 HMDB0032263 [1,0,0,1,0,0|0,0,0]=2 206 B6R1.2 CC1CCC=C1 HMDB0031544 [0,1,0,1,0,0|2,0,0]=4 207 B6R1.2 CC1CCCC1 HMDB0031542 [0,1,0,1,0,0|2,0,0]=4 208 B6R1.2 CC1NCCS1 HMDB0031682 [0,1,0,1,0,0|1,1,0]=4 209 B6R1.2 O=C1CCOC1 HMDB0002523 [0,1,0,1,0,0|0,0,2]=4