0 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.1 CCCC(=O)CC HMDB0000753 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CCCC(=O)OC HMDB0033890 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCCC(=O)SC HMDB0031191 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCCC(C)C=O HMDB0031578 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.1 CCCC(O)C=C HMDB0031503 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCOC(=O)CC HMDB0030058 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCOC(C)CC HMDB0031326 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|0,0,1]=2 11 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|0,0,3]=4 15 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(C)=CC=O HMDB0012157 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 C=C/C=C\C=O HMDB0031597 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,0,0,0,0|0,0,0]=1 32 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|0,0,2]=3 33 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|0,0,2]=3 34 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 NCCCC=O HMDB0001080 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,0,0,0,0,0|0,0,0]=1 38 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,0,0,0,0|0,0,1]=2 43 B5R0.3 CCC(C)CN HMDB0032392 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.3 CCC(C)CO HMDB0031527 [1,0,0,0,0,0|0,0,3]=4 45 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,0,0,0,0|0,0,1]=2 47 B5R0.3 OCC(O)C=O HMDB0001051 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,1,0,0,0,0|0,0,2]=3 49 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,1,0,0,0,0|0,0,0]=1 50 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,1,0,0|0,0,0]=1 69 B4R0.1 CC(=C)C=C HMDB0032344 [2,0,0,0,0,0|0,0,1]=3 70 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|0,0,1]=3 76 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,0]=2 77 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|0,0,2]=4 79 B4R0.1 CN(C)N=O HMDB0031419 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.1 NC(=O)C=C HMDB0004296 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 NC(=O)C=C HMDB0032161 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.2 C/C=C/SO HMDB0031636 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,1]=3 93 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,2]=4 94 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.2 ClC/C=C/Cl HMDB0013592 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|0,0,2]=4 107 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,1,0,0,0,0|0,0,2]=4 109 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,1,0,0,0,0|0,0,1]=3 111 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,1,0,0,0,0|0,0,1]=3 113 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|0,0,1]=3 118 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|0,0,0]=2 124 B6R0.3 CCC(=O)C(C)C HMDB0005846 [1,1,0,0,0,0|0,0,2]=4 125 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.3 COC(=O)C(C)=C HMDB0032385 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|1,0,0]=3 135 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|0,0,1]=3 136 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|0,0,1]=3 140 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.6 C/C=C\CCCO HMDB0031502 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,1,0,0,0,0|0,0,0]=2 146 B6R0.6 CC/C=C\CCO HMDB0030003 [1,1,0,0,0,0|0,0,2]=4 147 B6R0.6 CCC/C=C/CO HMDB0030952 [1,1,0,0,0,0|0,0,2]=4 148 B6R0.6 CCC=CCC=O HMDB0031497 [1,1,0,0,0,0|0,0,0]=2 149 B6R0.6 CCCC=CC=O HMDB0031496 [1,1,0,0,0,0|0,0,0]=2 150 B6R0.6 CCCCCC=O HMDB0005994 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.6 NCCCCC=O HMDB0012815 [1,1,0,0,0,0|0,0,2]=4 152 B6R0.9 CCC(CC)C=O HMDB0031220 [1,1,0,0,0,0|0,0,1]=3 153 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,2,0,0,0,0|0,0,1]=3 154 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,2,0,0,0,0|1,0,1]=4 156 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|0,0,2]=4 157 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|2,0,0]=4 158 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|2,0,0]=4 159 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,2,0,0,0,0|1,0,1]=4 161 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,2,0,0,0,0|1,0,1]=4 162 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,2,0,0,0,0|1,0,1]=4 163 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,2,0,0,0,0|0,0,0]=2 164 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,2,0,0,0,0|1,0,1]=4 166 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|1,0,1]=4 167 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|0,0,2]=4 168 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,2,0,0,0,0|1,0,0]=3 169 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,2,0,0,0,0|0,0,0]=2 171 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,2,0,0,0,0|1,0,1]=4 173 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|0,0,2]=4 174 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,2,0,0,0,0|1,0,1]=4 178 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,1,0,0|1,1,0]=4 179 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,1]=3 180 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,0]=3 181 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|1,0,0]=3 182 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|1,0,0]=3 183 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,1]=4 184 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,0,1]=4 185 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [0,1,0,1,0,0|0,1,0]=3 191 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|0,0,1]=3 192 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,1,0,0|0,0,2]=4 194 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,1,0,1,0,0|0,0,2]=4 196 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,1,0,1,0,0|1,0,1]=4 199 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|0,0,2]=4 200 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.7 [O-]C(=O)C1=[NH+]CCC1 HMDB0006875 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.11 CCC1=C(C)N=CS1 HMDB0029732 [0,1,0,1,0,0|0,1,0]=3