0 B5R0.3 O=C(CO)CO HMDB0001882 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 O=CC(O)CO HMDB0001051 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|1,0,0]=2 3 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,0,1]=3 4 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 CC(=O)NO HMDB0014691 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CCC(=O)O HMDB0000237 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,0,1]=2 8 B4R0.1 CN(C)C=O HMDB0001888 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 CNC(=N)N HMDB0001522 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C\C(O)=N\N HMDB0060428 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 NC(=O)NO HMDB0015140 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 NCC(=O)O HMDB0000123 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 O=C(O)CO HMDB0000115 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 O=CC(=O)O HMDB0000119 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.2 C=CCSC HMDB0031653 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.1 CCCC(=O)CC HMDB0000753 [0,1,0,0,0,0|0,0,2]=3 17 B6R0.1 CCCC(=O)CO HMDB0059678 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.3 CCC(=O)C(=O)O HMDB0000005 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.3 CCC(C)C(=O)O HMDB0002176 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 CCC(O)C(=O)O HMDB0000008 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.3 O=C(O)C(=O)CO HMDB0001352 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 O=C(O)C(=O)CS HMDB0001368 [0,1,0,0,0,0|2,0,0]=3 26 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,1,0,0|2,0,1]=4 27 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3 28 B3R0.1 C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,0]=2 29 B3R0.2 CC(=O)O HMDB0000042 [2,0,0,0,0,0|1,0,0]=3 30 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,1]=3 31 B3R0.2 NC(N)=O HMDB0000294 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 O=C(O)O HMDB0000595 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 C=CCS(C)=O HMDB0112254 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.1 CCCC(=O)O HMDB0000039 [1,1,0,0,0,0|1,0,0]=3 35 B5R0.1 CCCC(C)=O HMDB0034235 [1,1,0,0,0,0|0,0,1]=3 36 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|0,0,1]=3 37 B5R0.1 CNCC(=O)O HMDB0000271 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.1 NCCC(=O)O HMDB0000056 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.1 NCCS(=O)O HMDB0000965 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.1 O=C(O)CCO HMDB0000700 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.5 CC(=O)C(=O)O HMDB0000243 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.5 CC(=O)C(C)O HMDB0003243 [1,1,0,0,0,0|0,0,1]=3 43 B5R0.5 CC(C)C(=O)O HMDB0001873 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.5 C[C@@H](O)C(=O)O HMDB0000190 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.5 C[C@@H](O)C(=O)O HMDB0001311 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.5 C[C@H](N)C(=O)O HMDB0000161 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.5 O=C(O)C(=O)O HMDB0002329 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.3 NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,2,0,0,0,0|0,0,2]=4 51 B7R0.16 CC(C)C(=O)C(=O)O HMDB0000019 [0,2,0,0,0,0|1,0,0]=3 52 B5R1.1 C1=COC=C1 HMDB0013785 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [0,1,0,1,0,0|1,0,1]=4 54 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,1,0,1,0,0|1,0,1]=4 55 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,1,0,1,0,0|0,0,2]=4 57 B7R1.4 CC1=CSC=C1C HMDB0032980 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.4 CN1C=CNC1=S HMDB0014901 [0,1,0,1,0,0|1,1,0]=4 59 B7R1.4 NN1CCOC1=O HMDB0060739 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.4 N[C@@H]1CONC1=O HMDB0014405 [0,1,0,1,0,0|2,0,0]=4