0 B5R0.1 C/C=C/C(O)=O HMDB0010720 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C/C=C\C(O)=O HMDB0034439 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(=C)CCO HMDB0030126 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC(=O)CC=C HMDB0031606 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.1 CC(=O)CCS HMDB0041015 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CC(=O)OC=C HMDB0031209 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(C)=CC=O HMDB0012157 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CC(C)=CCO HMDB0030124 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(C)=CCS HMDB0031529 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(C)CC=O HMDB0006478 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CC(C)CCN HMDB0031659 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(C)CCS HMDB0033902 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(O)CCO HMDB0031320 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 CC(O)CCS HMDB0041475 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 CC(S)CCS HMDB0033552 [0,0,0,0,0,0|1,1,1]=3 15 B5R0.1 CCCC(C)=O HMDB0034235 [0,0,0,0,0,0|0,0,0]=0 16 B5R0.1 CCCC(C)O HMDB0031599 [0,0,0,0,0,0|0,0,2]=2 17 B5R0.1 CCCC(C)S HMDB0041010 [0,0,0,0,0,0|0,1,1]=2 18 B5R0.1 CCCC(N)=O HMDB0033870 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.1 CCCC(O)=O HMDB0000039 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 CCNC(C)=O HMDB0031215 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 CCOC(C)=O HMDB0031217 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 CCOC(N)=O HMDB0031219 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 CCOC(O)=O HMDB0031232 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CCSC(C)=O HMDB0031190 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.1 CN(C)CCO HMDB0032231 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 CSCC(C)=O HMDB0040170 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.1 OC(=O)CCI HMDB0031252 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.1 OC(=O)CCS HMDB0041604 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 CC(=C)C=C HMDB0032344 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CC(=O)CS HMDB0030025 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 CC(=O)OO HMDB0031608 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(C)CN HMDB0034198 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(C)CS HMDB0031245 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(Cl)CO HMDB0031335 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(O)CO HMDB0001881 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.1 CC(S)CS HMDB0031631 [1,0,0,0,0,0|1,1,1]=4 37 B4R0.1 CCC(C)N HMDB0032179 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CCC(O)=O HMDB0000237 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 CNC(S)=S HMDB0039221 [1,0,0,0,0,0|2,1,0]=4 40 B4R0.1 COC(C)=O HMDB0031523 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 CSC(C)=O HMDB0031189 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CSC(C)C HMDB0040576 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CSS(C)=O HMDB0032739 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 NC(=O)C=C HMDB0032161 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 OC(=O)C=C HMDB0031647 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 OC(=O)CCl HMDB0031331 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 C/C=C/SO HMDB0031636 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 C/C=C\C=O HMDB0034233 [1,0,0,0,0,0|0,0,2]=3 49 B4R0.2 C/C=C\CO HMDB0033858 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.2 C=CCC#N HMDB0031323 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 CCC=S=O HMDB0040346 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.2 CCCCC HMDB0029603 [1,0,0,0,0,0|0,0,1]=2 53 B4R0.2 CCCCN HMDB0031321 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.2 CCCCS HMDB0031322 [1,0,0,0,0,0|0,1,1]=3 55 B4R0.2 CCCSO HMDB0030299 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.2 CCOC=O HMDB0031229 [1,0,0,0,0,0|1,0,0]=2 57 B4R0.2 CCON=O HMDB0031239 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 CCSCC HMDB0031666 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.2 CCSSC HMDB0032912 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.2 CSCC=C HMDB0031653 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.2 CSCC=O HMDB0031718 [1,0,0,0,0,0|1,0,0]=2 62 B4R0.2 CSCCO HMDB0032425 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.2 CSCSC HMDB0031317 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 CS[Se]SC HMDB0030876 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 C[Se]CC=C HMDB0030878 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.2 OCCC=C HMDB0031324 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 SCCCS HMDB0031632 [1,0,0,0,0,0|1,1,1]=4 68 B6R0.1 C/C=N\N(C)C=O HMDB0033952 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,1,0,0,0,0|0,0,3]=4 70 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,1,0,0,0,0|0,0,1]=2 71 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [0,1,0,0,0,0|0,0,2]=3 72 B6R0.1 CCC(=O)CSC HMDB0037193 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.1 CCC(C)CCO HMDB0033676 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.1 CCCC(=O)OC HMDB0033890 [0,1,0,0,0,0|0,0,0]=1 75 B6R0.1 CCCC(=O)SC HMDB0031191 [0,1,0,0,0,0|0,0,0]=1 76 B6R0.1 CCCC(C)C=O HMDB0031578 [0,1,0,0,0,0|0,0,1]=2 77 B6R0.1 CCCC(O)C=C HMDB0031503 [0,1,0,0,0,0|0,0,3]=4 78 B6R0.1 CCCC(O)CC HMDB0031493 [0,1,0,0,0,0|0,0,2]=3 79 B6R0.1 CCOC(=O)C=C HMDB0033978 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.1 CCOC(=O)CC HMDB0030058 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.1 CCOC(C)CC HMDB0031326 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 COC(=O)CSC HMDB0035646 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.1 CSS(=O)/C=C\C HMDB0032746 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.1 CSS(=O)CC=C HMDB0032744 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,1,0,0,0,0|0,0,1]=2 87 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,1,0,0,0,0|0,0,1]=2 89 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,1,0,0,0,0|0,0,2]=3 91 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,1,0,0,0,0|0,0,0]=1 97 B6R0.2 CC(S)SC(C)S HMDB0040239 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.3 CC(C)C(S)CO HMDB0039781 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CC(O)C(O)CO HMDB0034778 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,1,0,0,0,0|0,0,1]=2 104 B6R0.3 CCC(=O)C(C)S HMDB0035171 [0,1,0,0,0,0|0,1,2]=4 105 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,1,0,0,0,0|1,0,2]=4 107 B6R0.3 CCC(O)C(C)=O HMDB0031516 [0,1,0,0,0,0|0,0,0]=1 108 B6R0.3 CCC(S)C(C)=O HMDB0034896 [0,1,0,0,0,0|0,0,0]=1 109 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CSC(C)C(C)=O HMDB0041558 [0,1,0,0,0,0|1,0,0]=2 112 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.4 C/C=C\SS(C)=O HMDB0032747 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.4 CC(=O)OCCN HMDB0038394 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.4 CCCCC(O)=O HMDB0000892 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.4 CCCOC(C)=O HMDB0034237 [0,1,0,0,0,0|0,0,0]=1 118 B6R0.4 CCCSC(C)=O HMDB0033856 [0,1,0,0,0,0|0,0,0]=1 119 B6R0.4 CCOCC(O)=O HMDB0031212 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.4 CCSSC(C)C HMDB0033054 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.4 CS(=O)SCC=C HMDB0032745 [0,1,0,0,0,0|1,0,2]=4 122 B6R0.4 CSCCC(C)=O HMDB0031316 [0,1,0,0,0,0|0,0,0]=1 123 B6R0.4 CSCCC(C)O HMDB0041476 [0,1,0,0,0,0|0,0,2]=3 124 B6R0.4 CSCCC(O)=O HMDB0001527 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.4 NCCNN(=O)=O HMDB0031226 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,1,0,0,0,0|1,0,1]=3 128 B6R0.5 CC(C)(S)CCO HMDB0036149 [0,1,0,0,0,0|1,1,1]=4 129 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.5 C[As+](C)(C)CCO HMDB0032683 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.5 C[N+](C)(C)CCO HMDB0000097 [0,1,0,0,0,0|3,0,0]=4 132 B6R1.2 CC1=CCCS1 HMDB0033565 [0,0,0,1,0,0|0,1,1]=3 133 B6R1.2 CC1=COCC1 HMDB0040584 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 CC1=NCCS1 HMDB0029555 [0,0,0,1,0,0|1,1,0]=3 135 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,1,0,0|1,0,2]=4 136 B6R1.2 CC1CCCC1 HMDB0031542 [0,0,0,1,0,0|1,0,1]=3 137 B6R1.2 CC1NCCS1 HMDB0031682 [0,0,0,1,0,0|1,1,1]=4 138 B6R1.2 CC1SCCS1 HMDB0036179 [0,0,0,1,0,0|1,1,1]=4 139 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,1,0,0|0,0,0]=1 140 B6R1.2 O=C1CCCS1 HMDB0031253 [0,0,0,1,0,0|1,0,0]=2 141 B6R1.2 O=C1CCON1 HMDB0039426 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,1,0,0|1,0,0]=2 143 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,1,0,0|1,0,2]=4 144 B6R1.2 SC1CCCC1 HMDB0039771 [0,0,0,1,0,0|0,1,1]=3 145 B6R1.2 SC1CCCS1 HMDB0040250 [0,0,0,1,0,0|1,1,1]=4 146 B3R0.1 C/C=C/S HMDB0040345 [2,0,0,0,0,0|0,1,1]=4 147 B3R0.1 CCCN HMDB0034006 [2,0,0,0,0,0|1,0,0]=3 148 B3R0.1 CCCS HMDB0034238 [2,0,0,0,0,0|0,1,0]=3 149 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|1,0,0]=3 150 B3R0.1 COCCl HMDB0031332 [2,0,0,0,0,0|2,0,0]=4 151 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|2,0,0]=4 152 B3R0.1 CSCS HMDB0032428 [2,0,0,0,0,0|1,1,0]=4 153 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.1 C[Se][Se]C HMDB0033208 [2,0,0,0,0,0|2,0,0]=4 155 B3R0.1 ClCCCl HMDB0029571 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.1 NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 OCC=C HMDB0031652 [2,0,0,0,0,0|1,0,1]=4 158 B3R0.1 OCCO HMDB0032262 [2,0,0,0,0,0|1,0,1]=4 159 B3R0.1 SCC=C HMDB0031635 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.1 SCCS HMDB0031707 [2,0,0,0,0,0|1,1,0]=4 161 B3R0.2 CC(C)S HMDB0031634 [2,0,0,0,0,0|0,1,1]=4 162 B3R0.2 CC(N)=O HMDB0031645 [2,0,0,0,0,0|1,0,0]=3 163 B3R0.2 CC(S)=O HMDB0031188 [2,0,0,0,0,0|1,0,0]=3 164 B3R0.2 CN(C)C HMDB0000906 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.2 [O-]C([O-])=O HMDB0031453 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.3 BrCC(=O)CI HMDB0040190 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,1,0,0,0,0|0,0,1]=3 168 B5R0.3 C/C=C(\C)CO HMDB0034465 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.3 CC/C(C)=C/S HMDB0040347 [1,1,0,0,0,0|0,1,0]=3 170 B5R0.3 CCC(=O)C=C HMDB0031607 [1,1,0,0,0,0|0,0,1]=3 171 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|0,0,0]=2 172 B5R0.3 CCC(=O)OC HMDB0030062 [1,1,0,0,0,0|0,0,0]=2 173 B5R0.3 CCC(=O)SC HMDB0031192 [1,1,0,0,0,0|0,0,0]=2 174 B5R0.3 CCC(C)C=O HMDB0031526 [1,1,0,0,0,0|0,0,1]=3 175 B5R0.3 CCC(C)CN HMDB0032392 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.3 CCC(C)CO HMDB0031527 [1,1,0,0,0,0|0,0,2]=4 177 B5R0.3 CCC(C)CS HMDB0035418 [1,1,0,0,0,0|0,1,1]=4 178 B5R0.3 CCC(S)CS HMDB0041492 [1,1,0,0,0,0|0,1,1]=4 179 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,1,0,0,0,0|0,0,1]=3 180 B5R0.3 COC(=O)C=C HMDB0033977 [1,1,0,0,0,0|0,0,2]=4 181 B5R0.3 COC(=O)OC HMDB0029580 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.4 CCC(C)(C)O HMDB0033772 [1,1,0,0,0,0|0,0,2]=4 183 B5R0.4 CSS(C)(=O)=O HMDB0031832 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,1,0,0,0,0|0,0,1]=3 185 B5R0.5 CC(=O)C(Br)Br HMDB0040188 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.5 CC(C)C(C)O HMDB0033777 [1,1,0,0,0,0|0,0,2]=4 187 B5R0.5 CC(C)C(C)S HMDB0036180 [1,1,0,0,0,0|0,1,1]=4 188 B5R0.5 CC(O)C(C)=C HMDB0039779 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.5 CC(O)C(C)S HMDB0040185 [1,1,0,0,0,0|0,0,2]=4 190 B5R0.5 CC(S)C(C)=O HMDB0031982 [1,1,0,0,0,0|0,0,0]=2 191 B5R0.5 CC(S)C(C)S HMDB0031157 [1,1,0,0,0,0|0,1,1]=4 192 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,1,0,0,0,0|1,0,0]=3 193 B5R0.5 C[C@@H](O)[C@@H](C)O HMDB0033007 [1,1,0,0,0,0|0,0,2]=4 194 B5R0.2 C=CCCC=O HMDB0032458 [1,1,0,0,0,0|0,0,1]=3 195 B5R0.2 CC/C=C/SC HMDB0038892 [1,1,0,0,0,0|0,0,1]=3 196 B5R0.2 CC/C=C\C=O HMDB0031601 [1,1,0,0,0,0|0,0,1]=3 197 B5R0.2 CC/C=C\CO HMDB0031604 [1,1,0,0,0,0|0,0,1]=3 198 B5R0.2 CCCCC#N HMDB0040173 [1,1,0,0,0,0|0,0,2]=4 199 B5R0.2 CCCCC=O HMDB0031206 [1,1,0,0,0,0|0,0,0]=2 200 B5R0.2 CCCCCC HMDB0029600 [1,1,0,0,0,0|0,0,1]=3 201 B5R0.2 CCCCCS HMDB0032457 [1,1,0,0,0,0|0,0,1]=3 202 B5R0.2 CCCOC=O HMDB0040253 [1,1,0,0,0,0|0,0,0]=2 203 B5R0.2 CCCSSC HMDB0031872 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.2 CCOCCO HMDB0031213 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.2 CCSSC=C HMDB0033052 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.2 CCSSCC HMDB0029572 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.2 CCSSSC HMDB0038891 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.2 CSCCC=O HMDB0031857 [1,1,0,0,0,0|0,0,0]=2 209 B5R0.2 CSCCCO HMDB0031716 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.2 CSCCSC HMDB0031708 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.2 CSCSSC HMDB0031875 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.2 CSS/C=C\C HMDB0041391 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.2 CSSCC=C HMDB0041389 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.2 C[Se]SCC=C HMDB0030877 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,2,0,0,0,0|1,0,0]=3 219 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,2,0,0,0,0|0,0,0]=2 220 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,2,0,0,0,0|0,0,0]=2 221 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,2,0,0,0,0|0,0,0]=2 222 B7R0.2 CSC(=O)CC(C)C HMDB0039843 [0,2,0,0,0,0|0,0,0]=2 223 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,2,0,0,0,0|0,0,0]=2 224 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,2,0,0,0,0|0,0,2]=4 225 B7R0.3 CCC(=O)SCC=C HMDB0037493 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,2,0,0,0,0|0,0,0]=2 227 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,2,0,0,0,0|0,0,0]=2 228 B7R0.3 CCCCC(C)C=O HMDB0040191 [0,2,0,0,0,0|0,0,1]=3 229 B7R0.3 CCCCC(C)CC HMDB0031583 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.3 CCCCC(O)CC HMDB0031481 [0,2,0,0,0,0|0,0,2]=4 231 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,2,0,0,0,0|0,0,0]=2 232 B7R0.3 CCCSC(S)CC HMDB0040056 [0,2,0,0,0,0|0,1,1]=4 233 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,2,0,0,0,0|0,0,1]=3 234 B7R0.3 COC(=O)CCSC HMDB0034377 [0,2,0,0,0,0|0,0,0]=2 235 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,2,0,0,0,0|0,0,1]=3 238 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,2,0,0,0,0|0,0,0]=2 239 B7R0.5 CCCC(C)C(C)C HMDB0037617 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,2,0,0,0,0|0,0,1]=3 241 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,2,0,0,0,0|1,0,0]=3 244 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,2,0,0,0,0|0,0,0]=2 250 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,2,0,0,0,0|0,0,0]=2 251 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,2,0,0,0,0|0,0,1]=3 252 B7R0.7 CCCC(S)CCO HMDB0040152 [0,2,0,0,0,0|0,1,1]=4 253 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.7 CCOC(=O)CCS HMDB0040410 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,2,0,0,0,0|0,0,1]=3 257 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,2,0,0,0,0|0,0,0]=2 258 B7R0.10 CCC(S)C(C)C=O HMDB0035176 [0,2,0,0,0,0|0,0,1]=3 259 B7R0.10 CCC(S)C(C)CO HMDB0034878 [0,2,0,0,0,0|0,0,2]=4 260 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.11 CCCC(C)(S)CO HMDB0032374 [0,2,0,0,0,0|0,0,2]=4 262 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,2,0,0,0,0|0,0,0]=2 264 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,2,0,0,0,0|0,0,0]=2 265 B7R0.9 CC(O)CC(C)(C)S HMDB0032375 [0,2,0,0,0,0|0,0,2]=4 266 B7R0.9 C[As+](C)(C)CC([O-])=O HMDB0033206 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,2,0,0,0,0|0,0,1]=3 269 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.16 CC(C)[C@H](N)C(O)=O HMDB0000883 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.16 CC(O)C(=O)C(O)=O HMDB0039324 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.15 OC(=O)C(CS)CS HMDB0035716 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.4 CC(=O)CCCC=O HMDB0033568 [0,2,0,0,0,0|0,0,0]=2 278 B7R0.4 CC(O)CCCCO HMDB0031490 [0,2,0,0,0,0|0,0,2]=4 279 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [0,2,0,0,0,0|0,0,0]=2 280 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,2,0,0,0,0|0,0,2]=4 281 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,2,0,0,0,0|0,0,0]=2 283 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.4 CCCCCC(C)O HMDB0033908 [0,2,0,0,0,0|0,0,2]=4 285 B7R0.4 CCCCCC(C)S HMDB0032303 [0,2,0,0,0,0|0,1,1]=4 286 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,2,0,0,0,0|1,0,0]=3 287 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,2,0,0,0,0|0,0,0]=2 288 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,2,0,0,0,0|0,0,0]=2 289 B7R0.4 CCCNCC(C)C HMDB0031244 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.4 CCOCC=C(C)C HMDB0038052 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.4 CSSCCC(C)C HMDB0032408 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,2,0,0,0,0|0,0,0]=2 294 B7R0.6 CC(=O)COC(C)=O HMDB0034466 [0,2,0,0,0,0|0,0,1]=3 295 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,2,0,0,0,0|0,0,1]=3 296 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,2,0,0,0,0|0,0,0]=2 298 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [0,2,0,0,0,0|0,0,0]=2 300 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,2,0,0,0,0|0,0,0]=2 301 B7R0.6 OC(=O)CCN(=O)=O HMDB0034259 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.8 CCCSS(O)(=O)=O HMDB0041066 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.8 COCCC(C)(C)S HMDB0036194 [0,2,0,0,0,0|0,1,1]=4 304 B5R1.4 C[C@H]1S[C@H]1C HMDB0039807 [1,0,0,1,0,0|0,1,1]=4 305 B5R1.1 C1CC=CS1 HMDB0033875 [1,0,0,1,0,0|0,1,1]=4 306 B5R1.1 C1CCNC1 HMDB0031641 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.1 O=CN1CCCC1 HMDB0034587 [0,1,0,1,0,0|1,0,0]=3 308 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,1,0,1,0,0|1,0,0]=3 309 B7R1.1 OCC1CCCO1 HMDB0031175 [0,1,0,1,0,0|0,0,2]=4 310 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,1,0,1,0,0|0,0,1]=3 311 B7R1.2 CC1=CC(S)CS1 HMDB0039791 [0,1,0,1,0,0|0,1,1]=4 312 B7R1.2 CC1CC(S)=CS1 HMDB0039796 [0,1,0,1,0,0|0,1,1]=4 313 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [0,1,0,1,0,0|1,0,0]=3 315 B7R1.2 CC1CN=C(C)N1 HMDB0037787 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,1,0,1,0,0|0,0,2]=4 317 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.2 CC1OCC(C)=N1 HMDB0040518 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.2 CC1SCC(C)=N1 HMDB0040331 [0,1,0,1,0,0|1,0,0]=3 320 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.3 CC1CCCCN1 HMDB0032416 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.3 CC1OCCCS1 HMDB0039826 [0,1,0,1,0,0|0,0,2]=4 325 B7R1.3 NC1CCCCC1 HMDB0031404 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.3 O=C1CCC=CO1 HMDB0040145 [0,1,0,1,0,0|0,0,2]=4 327 B7R1.4 CC1=C(S)CCO1 HMDB0040580 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.4 CC1=C(S)CCS1 HMDB0039792 [0,1,0,1,0,0|0,1,1]=4 329 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,1,0,0|0,0,1]=3 330 B7R1.4 CC1CCOC1=O HMDB0035143 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.4 CC1OCCC1=O HMDB0031178 [0,1,0,1,0,0|1,0,0]=3 332 B7R1.4 CC1OCCC1O HMDB0039799 [0,1,0,1,0,0|0,0,2]=4 333 B7R1.4 CC1OCCC1S HMDB0036138 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.4 CC1SCCC1=O HMDB0038556 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.4 CC1SCCC1O HMDB0035244 [0,1,0,1,0,0|0,1,1]=4 336 B7R1.4 CC1SCCC1S HMDB0039790 [0,1,0,1,0,0|0,1,1]=4 337 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,1,0,0|1,0,0]=3 338 B7R1.4 SC1COCC1=O HMDB0039786 [0,1,0,1,0,0|1,0,0]=3 339 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [0,1,0,1,0,0|0,0,0]=2 340 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.19 NC1(CC1)C(O)=O HMDB0036458 [0,1,0,1,0,0|1,0,0]=3 342 B7R1.14 CC1(S)CCCS1 HMDB0039789 [0,1,0,1,0,0|0,1,1]=4