0 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.47 CC(CSCCN)C(O)=O HMDB0002169 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.47 NC(CCCC=O)C(O)=O HMDB0001263 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.7 CC(O)CCCCC=C HMDB0037181 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.7 OCCCCCC(O)=O HMDB0012843 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.26 C/C=C\S(=O)CC(N)C(O)=O HMDB0029441 [0,1,0,0,0,0|0,0,3]=4 23 B10R0.26 CCCS(=O)CC(N)C(O)=O HMDB0029442 [0,1,0,0,0,0|0,0,3]=4 24 B10R0.75 CCCCCCC(N)C(O)=O HMDB0000991 [0,1,0,0,0,0|1,0,2]=4 25 B10R0.75 CNCCCC[C@H](N)C(O)=O HMDB0002038 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.82 NC[C@H](O)CC[C@H](N)C(O)=O HMDB0000450 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.98 NC(CCCC(O)=O)C(O)=O HMDB0000510 [0,1,0,0,0,0|2,0,0]=3 30 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,1,0,0,0,0|1,0,0]=2 31 B10R0.98 OC(CCCC(O)=O)C(O)=O HMDB0000321 [0,1,0,0,0,0|3,0,0]=4 32 B10R0.98 O[C@H](CCCC(O)=O)C(O)=O HMDB0000368 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,0,0,1,0,0|1,0,0]=2 34 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|0,0,2]=4 35 B7R0.4 NCCCCC(O)=O HMDB0003355 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.4 OC(=O)CCCC=O HMDB0012233 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [2,0,0,0,0,0|0,0,1]=3 41 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [2,0,0,0,0,0|0,1,0]=3 42 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [2,0,0,0,0,0|0,1,0]=3 43 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.48 OC(=O)CNC(=O)CC=C HMDB0000894 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [1,1,0,0,0,0|0,1,1]=4 52 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.7 NC(CCS(O)=O)C(O)=O HMDB0006462 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HMDB0000641 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O HMDB0000148 [1,1,0,0,0,0|1,0,0]=3 57 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HMDB0003423 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.7 OC(CCC(O)=O)C(O)=O HMDB0059655 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000606 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000694 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O HMDB0006556 [1,1,0,0,0,0|1,0,0]=3 62 B11R0.29 CC(C)=CCSCC(N)C(O)=O HMDB0012286 [0,2,0,0,0,0|0,0,0]=2 63 B11R0.29 N[C@@H](CCCNC(N)=O)C(O)=O HMDB0000904 [0,2,0,0,0,0|2,0,0]=4 64 B11R0.29 N[C@H](CCCNC(N)=N)C(O)=O HMDB0003416 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.35 OC(=O)C1CC(=C)CN1 HMDB0029434 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.35 [C@H]1(CSC(S)=N1)C(O)=O HMDB0041805 [1,0,0,1,0,0|1,0,1]=4