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|1,0,1]=2 2 B4R0.1 CC(=O)CN HMDB0002134 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CC(=O)CO HMDB0006961 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.1 CC(=O)CS HMDB0030025 [0,0,0,0,0,0|1,1,0]=2 5 B4R0.1 CC(=O)OO HMDB0031608 [0,0,0,0,0,0|0,0,0]=0 6 B4R0.1 CC(C)C=O HMDB0031243 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(C)CO HMDB0006006 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(C)CS HMDB0031245 [0,0,0,0,0,0|2,1,1]=4 9 B4R0.1 CC(Cl)CO HMDB0031335 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(N)CN HMDB0013136 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CC(O)CN HMDB0012136 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 CC(S)CS HMDB0031631 [0,0,0,0,0,0|1,2,1]=4 13 B4R0.1 CCC(C)=O HMDB0000474 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CCC(C)N HMDB0032179 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 CCC(C)O HMDB0011469 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 CN(C)N=O HMDB0031419 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 CNC(N)=N HMDB0001522 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 COC(C)=O HMDB0031523 [0,0,0,0,0,0|1,0,0]=1 19 B4R0.1 CSC(C)=O HMDB0031189 [0,0,0,0,0,0|1,1,0]=2 20 B4R0.1 C[C@@H](O)C=O HMDB0006458 [0,0,0,0,0,0|1,0,3]=4 21 B4R0.1 C[C@H](O)C=O HMDB0003052 [0,0,0,0,0,0|1,0,3]=4 22 B4R0.1 C[C@H](O)CO HMDB0006213 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.1 ClC=C(Cl)Cl HMDB0029593 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 NC(=O)C=C HMDB0004296 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 NC(=O)C=C HMDB0032161 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 NCC(O)=O HMDB0000123 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 OC(=O)C#C HMDB0006804 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 OC(=O)C=C HMDB0031647 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 OC(=O)C=O HMDB0000119 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 OC(=O)CCl HMDB0031331 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 OCC(O)=O HMDB0000115 [0,0,0,0,0,0|2,0,0]=2 32 B3R0.1 C(=O)CCl HMDB0013860 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 C/C=N/O HMDB0003656 [1,0,0,0,0,0|1,0,0]=2 34 B3R0.1 CCC=O HMDB0003366 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.1 CCCO HMDB0000820 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 CCSC HMDB0031238 [1,0,0,0,0,0|1,1,1]=4 37 B3R0.1 CNC=O HMDB0001122 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 COCCl HMDB0031332 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 COOC HMDB0031430 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 CSCS HMDB0032428 [1,0,0,0,0,0|2,1,0]=4 41 B3R0.1 CSSC HMDB0005879 [1,0,0,0,0,0|2,1,0]=4 42 B3R0.1 CS[Se]C HMDB0030879 [1,0,0,0,0,0|2,1,0]=4 43 B3R0.1 NCCO HMDB0000149 [1,0,0,0,0,0|2,0,1]=4 44 B3R0.1 O=CC#C HMDB0006803 [1,0,0,0,0,0|2,0,0]=3 45 B3R0.1 OCC=C HMDB0031652 [1,0,0,0,0,0|1,0,1]=3 46 B3R0.1 OCC=O HMDB0003344 [1,0,0,0,0,0|1,0,0]=2 47 B3R0.1 OCCO HMDB0032262 [1,0,0,0,0,0|1,0,2]=4 48 B3R0.1 OSC#N HMDB0012974 [1,0,0,0,0,0|1,1,1]=4 49 B3R0.1 SCC=C HMDB0031635 [1,0,0,0,0,0|1,1,1]=4 50 B3R0.1 [O-]ON=O HMDB0002179 [1,0,0,0,0,0|1,0,1]=3 51 B3R0.2 CC(C)=O HMDB0001659 [1,0,0,0,0,0|1,0,0]=2 52 B3R0.2 CC(C)O HMDB0000863 [1,0,0,0,0,0|1,0,1]=3 53 B3R0.2 CC(C)S HMDB0031634 [1,0,0,0,0,0|1,1,1]=4 54 B3R0.2 CC(N)=O HMDB0031645 [1,0,0,0,0,0|1,0,0]=2 55 B3R0.2 CC(O)=O HMDB0000042 [1,0,0,0,0,0|0,0,0]=1 56 B3R0.2 CC(S)=O HMDB0031188 [1,0,0,0,0,0|0,1,0]=2 57 B3R0.2 CC(S)S HMDB0032253 [1,0,0,0,0,0|0,2,1]=4 58 B3R0.2 C[As](C)O HMDB0012216 [1,0,0,0,0,0|2,0,0]=3 59 B3R0.2 C[As](O)O HMDB0012259 [1,0,0,0,0,0|1,0,1]=3 60 B3R0.2 C[S+](C)C HMDB0012295 [1,0,0,0,0,0|3,0,0]=4 61 B3R0.2 C[Se+](C)C HMDB0042052 [1,0,0,0,0,0|3,0,0]=4 62 B3R0.2 ClC(Cl)=C HMDB0032554 [1,0,0,0,0,0|2,0,1]=4 63 B3R0.2 NC(N)=N HMDB0001842 [1,0,0,0,0,0|3,0,0]=4 64 B3R0.2 NC(N)=O HMDB0000294 [1,0,0,0,0,0|2,0,0]=3 65 B3R0.2 NC(O)=O HMDB0003551 [1,0,0,0,0,0|1,0,0]=2 66 B3R0.2 OC(O)=O HMDB0003538 [1,0,0,0,0,0|1,0,0]=2 67 B3R0.2 OC([O-])=O HMDB0000595 [1,0,0,0,0,0|1,0,0]=2 68 B3R0.2 OS([O-])=O HMDB0001033 [1,0,0,0,0,0|2,0,0]=3 69 B3R0.2 [O-]C([O-])=O HMDB0031453 [1,0,0,0,0,0|1,0,1]=3 70 B3R0.2 [O-]S([O-])=O HMDB0000240 [1,0,0,0,0,0|2,0,1]=4 71 B3R0.2 [O-][Cl](=O)=O HMDB0002036 [1,0,0,0,0,0|2,0,1]=4 72 B3R0.2 [O-][I](=O)=O HMDB0001061 [1,0,0,0,0,0|2,0,1]=4 73 B3R0.2 [O-][N+]([O-])=O HMDB0002878 [1,0,0,0,0,0|2,0,1]=4 74 B3R0.2 [O-][Se]([O-])=O HMDB0011119 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 C/C=C/C(C)=O HMDB0001184 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 C/C=C/C(O)=O HMDB0010720 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.1 C/C=C\C(O)=O HMDB0034439 [0,1,0,0,0,0|3,0,0]=4 78 B5R0.1 CC(=C)CCO HMDB0030126 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.1 CC(=O)CC=C HMDB0031606 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.1 CC(=O)OC=C HMDB0031209 [0,1,0,0,0,0|1,0,0]=2 81 B5R0.1 CC(C)=CC=O HMDB0012157 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 CC(C)=CCO HMDB0030124 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.1 CC(C)=CCS HMDB0031529 [0,1,0,0,0,0|2,1,0]=4 84 B5R0.1 CC(C)CCO HMDB0006007 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.1 CC(O)CCO HMDB0031320 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.1 CCCC(O)=O HMDB0000039 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.1 CCNC(C)=O HMDB0031215 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.1 CCOC(C)=O HMDB0031217 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.1 CCOC(N)=O HMDB0031219 [0,1,0,0,0,0|2,0,0]=3 90 B5R0.1 CCOC(O)=O HMDB0031232 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.1 CCSC(C)=O HMDB0031190 [0,1,0,0,0,0|1,1,0]=3 92 B5R0.1 CN(C)CCO HMDB0032231 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.1 CNCC(O)=O HMDB0000271 [0,1,0,0,0,0|3,0,0]=4 94 B5R0.1 COCC(O)=O HMDB0041929 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.1 NCCC(O)=O HMDB0000056 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.1 OC(=O)CC=O HMDB0011111 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 OC(=O)CCI HMDB0031252 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.1 OCCC(O)=O HMDB0000700 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.3 C/C=C(/C)C=O HMDB0031512 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.3 CCC(=O)C=C HMDB0031607 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.3 CCC(=O)CO HMDB0031507 [0,1,0,0,0,0|1,0,0]=2 102 B5R0.3 CCC(=O)OC HMDB0030062 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.3 CCC(=O)SC HMDB0031192 [0,1,0,0,0,0|1,1,0]=3 104 B5R0.3 CCC(C)C=O HMDB0031526 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.3 CCC(C)CO HMDB0031527 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.3 CC[C@H](C)C=O HMDB0031525 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.3 CNC(=O)NC HMDB0029198 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.3 COC(=O)OC HMDB0029580 [0,1,0,0,0,0|1,0,0]=2 109 B5R0.3 COC(C)OC HMDB0030061 [0,1,0,0,0,0|1,0,2]=4 110 B5R0.3 OCC(=O)CO HMDB0001882 [0,1,0,0,0,0|1,0,0]=2 111 B5R0.3 OCC(O)C=O HMDB0001051 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.3 OCC(O)CCl HMDB0031334 [0,1,0,0,0,0|1,0,2]=4 113 B5R0.3 OCC(O)CO HMDB0000131 [0,1,0,0,0,0|1,0,2]=4 114 B5R0.4 CSS(C)(=O)=O HMDB0031832 [0,1,0,0,0,0|2,1,0]=4 115 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,1,0,0,0,0|2,0,0]=3 116 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,1,0,0,0,0|1,0,1]=3 117 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.5 CC(O)C(C)O HMDB0003156 [0,1,0,0,0,0|1,0,2]=4 120 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,1,0,0,0,0|1,1,1]=4 121 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,1,0,0,0,0|2,0,0]=3 125 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,1,0,0,0,0|2,0,0]=3 126 B2R0.1 CC=O HMDB0000990 [2,0,0,0,0,0|0,0,0]=2 127 B2R0.1 CCC HMDB0031630 [2,0,0,0,0,0|1,0,1]=4 128 B2R0.1 CCN HMDB0013231 [2,0,0,0,0,0|1,0,1]=4 129 B2R0.1 CNC HMDB0000087 [2,0,0,0,0,0|2,0,0]=4 130 B2R0.1 CSC HMDB0002303 [2,0,0,0,0,0|1,1,0]=4 131 B2R0.1 NC=O HMDB0001536 [2,0,0,0,0,0|1,0,0]=3 132 B2R0.1 O=C=O HMDB0001967 [2,0,0,0,0,0|0,0,2]=4 133 B2R0.1 O=[Te]=O HMDB0012288 [2,0,0,0,0,0|0,1,1]=4 134 B2R0.1 [O-]N=O HMDB0002786 [2,0,0,0,0,0|1,0,1]=4 135 B2R0.1 [O-][Cl]=O HMDB0002077 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.2 C/C=C/SO HMDB0031636 [1,1,0,0,0,0|0,1,0]=3 137 B4R0.2 CCCC=O HMDB0003543 [1,1,0,0,0,0|2,0,0]=4 138 B4R0.2 CCCCO HMDB0004327 [1,1,0,0,0,0|1,0,1]=4 139 B4R0.2 CCCSO HMDB0030299 [1,1,0,0,0,0|0,1,1]=4 140 B4R0.2 CCOC=O HMDB0031229 [1,1,0,0,0,0|1,0,0]=3 141 B4R0.2 CCON=O HMDB0031239 [1,1,0,0,0,0|0,0,2]=4 142 B4R0.2 CSCC=O HMDB0031718 [1,1,0,0,0,0|1,1,0]=4 143 B4R0.2 CSCCO HMDB0032425 [1,1,0,0,0,0|1,0,1]=4 144 B4R0.2 ClC/C=C/Cl HMDB0013592 [1,1,0,0,0,0|2,0,0]=4 145 B4R0.2 NCCC=O HMDB0001106 [1,1,0,0,0,0|2,0,0]=4 146 B4R0.2 O=CCC#C HMDB0006853 [1,1,0,0,0,0|2,0,0]=4 147 B4R0.2 O=CCC=O HMDB0006112 [1,1,0,0,0,0|1,0,1]=4 148 B4R0.2 OCCC=C HMDB0031324 [1,1,0,0,0,0|1,0,1]=4 149 B4R0.2 OCCC=O HMDB0003453 [1,1,0,0,0,0|1,0,0]=3 150 B4R0.3 CC(C)(C)O HMDB0031456 [1,1,0,0,0,0|1,0,1]=4 151 B4R0.3 CS(C)(=O)=O HMDB0004983 [1,1,0,0,0,0|1,0,1]=4 152 B4R0.3 C[As](C)([O-])=O HMDB0011625 [1,1,0,0,0,0|1,0,1]=4 153 B4R0.3 C[As](O)(O)=O HMDB0012258 [1,1,0,0,0,0|1,0,0]=3 154 B4R0.3 OP(O)(O)=O HMDB0002142 [1,1,0,0,0,0|2,0,0]=4 155 B4R0.3 OP([O-])([O-])=O HMDB0000973 [1,1,0,0,0,0|2,0,0]=4 156 B4R0.3 O[As](O)(O)=O HMDB0012190 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,2,0,0,0,0|2,0,0]=4 158 B6R0.1 CCCC(=O)CC HMDB0000753 [0,2,0,0,0,0|2,0,0]=4 159 B6R0.1 CCCC(=O)OC HMDB0033890 [0,2,0,0,0,0|1,0,0]=3 160 B6R0.1 CCCC(=O)SC HMDB0031191 [0,2,0,0,0,0|1,1,0]=4 161 B6R0.1 CCOC(=O)CC HMDB0030058 [0,2,0,0,0,0|1,0,0]=3 162 B6R0.1 COC(=O)CSC HMDB0035646 [0,2,0,0,0,0|1,0,0]=3 163 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,2,0,0,0,0|2,0,0]=4 164 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,2,0,0,0,0|1,0,0]=3 165 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,2,0,0,0,0|1,0,1]=4 166 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,2,0,0,0,0|0,0,1]=3 168 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,2,0,0,0,0|2,0,0]=4 169 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,2,0,0,0,0|2,0,0]=4 170 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,2,0,0,0,0|2,0,0]=4 171 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,2,0,0,0,0|1,0,0]=3 172 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,2,0,0,0,0|2,0,0]=4 173 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,2,0,0,0,0|1,1,0]=4 174 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,2,0,0,0,0|2,0,0]=4 176 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,2,0,0,0,0|2,0,0]=4 177 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,2,0,0,0,0|1,0,0]=3 178 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,2,0,0,0,0|2,0,0]=4 179 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,2,0,0,0,0|2,0,0]=4 180 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,2,0,0,0,0|1,0,1]=4 181 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,2,0,0,0,0|2,0,0]=4 182 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,2,0,0,0,0|1,0,1]=4 183 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,2,0,0,0,0|2,0,0]=4 184 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,2,0,0,0,0|1,0,0]=3 187 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,2,0,0,0,0|1,0,1]=4 191 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,2,0,0,0,0|2,0,0]=4 192 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,2,0,0,0,0|2,0,0]=4 193 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,2,0,0,0,0|1,0,0]=3 194 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,2,0,0,0,0|2,0,0]=4 195 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,2,0,0,0,0|2,0,0]=4 196 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,2,0,0,0,0|1,0,0]=3 197 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,2,0,0,0,0|2,0,0]=4 199 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.4 CCCCC(C)=O HMDB0005842 [0,2,0,0,0,0|2,0,0]=4 201 B6R0.4 CCOCC(O)=O HMDB0031212 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.4 CSCCC(C)=O HMDB0031316 [0,2,0,0,0,0|1,1,0]=4 203 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,2,0,0,0,0|2,0,0]=4 204 B6R0.4 OCCCC(O)=O HMDB0000710 [0,2,0,0,0,0|2,0,0]=4 205 B6R0.8 COP(N)(=O)SC HMDB0031803 [0,2,0,0,0,0|2,0,0]=4 206 B4R1.2 CC1CO1 HMDB0031558 [1,0,0,1,0,0|1,0,1]=4 207 B4R1.2 CC1CO1 HMDB0032263 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,1,0,1,0,0|2,0,0]=4 209 B6R1.2 O=C1CCCC1 HMDB0031407 [0,1,0,1,0,0|2,0,0]=4 210 B6R1.2 O=C1CCCN1 HMDB0002039 [0,1,0,1,0,0|2,0,0]=4 211 B6R1.2 O=C1CCCO1 HMDB0000549 [0,1,0,1,0,0|1,0,0]=3 212 B6R1.2 O=C1CCCS1 HMDB0031253 [0,1,0,1,0,0|1,1,0]=4 213 B6R1.2 O=C1CCOC1 HMDB0002523 [0,1,0,1,0,0|1,0,0]=3 214 B6R1.2 O=C1CCSC1 HMDB0031242 [0,1,0,1,0,0|1,1,0]=4 215 B6R1.2 O=C1CN=CN1 HMDB0004363 [0,1,0,1,0,0|2,0,0]=4 216 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,1,0,1,0,0|1,0,1]=4