0 B5R0.3 O=CC(O)CO HMDB0001051 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|1,0,0]=2 2 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,0,1]=3 3 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|1,0,1]=3 4 B4R0.1 CC(=O)NO HMDB0014691 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 CCC(=O)O HMDB0000237 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,0,1]=2 7 B4R0.1 CN(C)C=O HMDB0001888 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 CNC(=N)N HMDB0001522 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C\C(O)=N\N HMDB0060428 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 NC(=O)NO HMDB0015140 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 NCC(=O)O HMDB0000123 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 O=C(O)CO HMDB0000115 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 O=CC(=O)O HMDB0000119 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.2 C=CCSC HMDB0031653 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 O=CCC=O HMDB0006112 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.3 CC(CN)C(=O)O HMDB0003911 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.3 CCC(=O)C(=O)O HMDB0000005 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.3 CCC(C)C(=O)O HMDB0002176 [0,1,0,0,0,0|0,0,2]=3 19 B6R0.3 CCC(O)C(=O)O HMDB0000008 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [0,1,0,0,0,0|0,0,2]=3 22 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.3 C[C@@H](CN)C(=O)O HMDB0002166 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.3 C[C@@H](CO)C(=O)O HMDB0000023 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.3 C[C@H](CO)C(=O)O HMDB0000336 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.3 O=C(O)C(=O)CO HMDB0001352 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 O=C(O)C(=O)CS HMDB0001368 [0,1,0,0,0,0|2,0,1]=4 28 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 CC1=CNN=C1 HMDB0015344 [0,0,0,1,0,0|2,0,0]=3 30 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,1]=4 31 B3R0.1 C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,0]=2 32 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.2 CC(=O)O HMDB0000042 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,0]=2 35 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,2]=4 36 B3R0.2 CN(C)C HMDB0000906 [2,0,0,0,0,0|1,0,1]=4 37 B3R0.2 NC(N)=O HMDB0000294 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.2 O=C(O)O HMDB0000595 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 C=CCS(C)=O HMDB0112254 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.1 CC(C)CC=O HMDB0006478 [1,1,0,0,0,0|0,0,1]=3 41 B5R0.1 CCCC(=O)O HMDB0000039 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.1 CCCC(C)=O HMDB0034235 [1,1,0,0,0,0|0,0,1]=3 43 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|0,0,1]=3 44 B5R0.1 CNCC(=O)O HMDB0000271 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.1 NCCC(=O)O HMDB0000056 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.1 O=C(O)CCO HMDB0000700 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.5 CC(=O)C(=O)O HMDB0000243 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.5 CC(=O)C(C)O HMDB0003243 [1,1,0,0,0,0|0,0,1]=3 49 B5R0.5 CC(C)C(=O)O HMDB0001873 [1,1,0,0,0,0|0,0,1]=3 50 B5R0.5 C[C@@H](O)C(=O)O HMDB0000190 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.5 C[C@@H](O)C(=O)O HMDB0001311 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.5 C[C@H](N)C(=O)O HMDB0000161 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.5 O=C(O)C(=O)O HMDB0002329 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.13 CCC(C)(O)C(=O)O HMDB0001987 [0,2,0,0,0,0|0,0,2]=4 56 B7R0.15 CCC(CO)C(=O)O HMDB0000396 [0,2,0,0,0,0|0,0,2]=4 57 B7R0.16 CC(=O)C(C)C(=O)O HMDB0003771 [0,2,0,0,0,0|0,0,1]=3 58 B7R0.16 CC(C(=O)O)C(=O)O HMDB0000202 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.16 CC(C)C(=O)C(=O)O HMDB0000019 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.16 CC(O)C(C)C(=O)O HMDB0000354 [0,2,0,0,0,0|0,0,2]=4 61 B5R1.1 C1=COC=C1 HMDB0013785 [1,0,0,1,0,0|0,0,2]=4 62 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [0,1,0,1,0,0|0,0,2]=4 63 B7R1.1 OCC1=CNN=C1 HMDB0060768 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,1,0,1,0,0|0,0,2]=4 66 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.4 CC1=CSC=C1C HMDB0032980 [0,1,0,1,0,0|0,1,0]=3