0 B10R0.97 CC(=O)NCSCCC(=O)O CDS005207 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.97 O=C(O)CSCSCC(=O)O S352896 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.2 COCCCCCC(=O)O CBR00492 [1,0,0,0,0,0|3,0,0]=4 3 B11R0.29 NC(=O)NCCCC(N)C(=O)O S679089 [0,1,0,0,0,0|3,0,0]=4 4 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O CDS023113 [0,1,0,0,0,0|3,0,0]=4 5 B11R0.29 NC(CSCCC(=O)O)C(=O)O PH008545 [0,1,0,0,0,0|0,0,0]=1 6 B11R0.85 CC(=O)OCC(C)CCC(=O)O PH015210 [0,1,0,0,0,0|3,0,0]=4 7 B11R0.85 CC(CCC(=O)O)CCC(=O)O PH008911 [0,1,0,0,0,0|1,0,0]=2 8 B11R0.85 NC(CCC(=O)O)CCC(=O)O PH007833 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.75 CC(=O)CCC1CCC(=O)C1 T242535 [0,0,0,1,0,0|3,0,0]=4 10 B11R1.75 O=C(O)CCC1CCC(=O)N1 PH009802 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.157 O=C(O)CC1CCCC(=O)C1 PH018197 [0,0,0,1,0,0|2,0,0]=3 12 B11R1.178 CC(=O)N1CCCC1C(=O)O S777706 [0,0,0,1,0,0|3,0,0]=4 13 B11R1.178 CC(=O)N1CSCC1C(=O)O PH006928 [0,0,0,1,0,0|2,0,0]=3 14 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O S926728 [0,0,0,1,0,0|1,0,2]=4 15 B11R1.178 O=C(O)C1=C(COC1)C(=O)O T187836 [0,0,0,1,0,0|0,1,2]=4 16 B11R1.740 O=C(O)CC1CC1CC(=O)O R154652 [0,0,0,1,0,0|1,0,0]=2 17 B9R0.55 NC(=O)CSCCC(=O)O EME00025 [0,0,0,0,1,0|1,0,0]=2 18 B9R0.55 O=C(O)CCSCC(=O)O PH001934 [0,0,0,0,1,0|0,0,0]=1 19 B9R0.55 O=C([O-])CCCCC(=O)[O-] S566012 [0,0,0,0,1,0|0,0,2]=3 20 B11R0.30 CC(=O)NCCCCCC(=O)O PH010928 [0,0,0,0,0,1|2,0,0]=3 21 B11R0.30 N=C(N)NCCCCCC(=O)O S787256 [0,0,0,0,0,1|3,0,0]=4 22 B11R0.30 O=C(O)CC/C=C/CCC(=O)O CDS008155 [0,0,0,0,0,1|1,0,0]=2 23 B8R0.7 C(=O)OCCCC(=O)C R396036 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.7 C=CCOCCC(=O)O CDS000343 [2,0,0,0,0,0|0,1,1]=4 25 B8R0.7 CCCNCCC(=O)O OTV000481 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.7 NCCSCCC(=O)O PH011733 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.7 O=C(O)CCNCCO S888699 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.7 O=C(O)CCOCCO CDS021155 [2,0,0,0,0,0|0,1,0]=3 29 B10R0.98 CC(CCCC(=O)O)C(=O)O T271314 [0,1,0,0,1,0|0,0,0]=2 30 B10R0.98 CC(SCCC(=O)O)C(=O)O PH010075 [0,1,0,0,1,0|0,0,0]=2 31 B10R0.98 NC(CSCC(=O)O)C(=O)O PH000114 [0,1,0,0,1,0|0,0,0]=2 32 B12R0.42 CC(=O)NCCCCC(N)C(=O)O S783579 [0,1,0,0,0,1|2,0,0]=4 33 B12R0.42 NC(=O)NCCCCC(N)C(=O)O S786659 [0,1,0,0,0,1|2,0,0]=4 34 B12R0.42 NC(CCCCCC(=O)O)C(=O)O PH009856 [0,1,0,0,0,1|1,0,0]=3 35 B12R0.44 O=C(O)CCCC(=O)CCC(=O)O T273805 [0,1,0,0,0,1|1,0,0]=3 36 B12R0.627 NC(=O)C(N)CCCC(N)C(=O)O PH007276 [0,2,0,0,0,0|2,0,0]=4 37 B12R0.388 C[Si](C)(CCC(=O)O)CCC(=O)O S771260 [0,2,0,0,0,0|1,0,0]=3 38 B12R0.388 O=C(O)CCS(=O)(=O)CCC(=O)O PH004523 [0,2,0,0,0,0|0,0,1]=3 39 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.61 O=C(O)C1CCCNC1=O CBR01770 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.64 CC(=O)CC1CCCC1=O L166758 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.64 O=C(O)CN1CCCC1=O PH009795 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [1,0,0,1,0,0|1,0,1]=4 45 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,0,0,1,1,0|2,0,0]=4 46 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,0,0,1,1,0|1,0,0]=3 47 B12R1.261 O=C(O)C1CC=CCC1C(=O)O S676896 [0,0,0,1,0,1|1,0,0]=3 48 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O S443824 [0,0,0,1,0,1|1,0,0]=3 49 B12R1.1257 CC1(CCCC(=O)C1)CC(=O)O T235539 [0,1,0,1,0,0|2,0,0]=4 50 B12R1.1257 C[C@]1(CCCC(=O)C1)CC(=O)O T291870 [0,1,0,1,0,0|2,0,0]=4 51 B12R1.258 O=C(O)[C@H]1CCC[C@H](C1)C(=O)O T153974 [0,1,0,1,0,0|1,0,0]=3 52 B12R1.21 O=C(O)CCC1=NNC(=O)CC1 CBR01162 [0,1,0,1,0,0|2,0,0]=4 53 B12R1.26 COC(=O)CCC1CCC(=O)N1 PH009358 [0,1,0,1,0,0|2,0,0]=4 54 B8R0.28 CC(=O)CCCC(=O)N PH008391 [0,0,0,0,2,0|2,0,0]=4 55 B8R0.28 N=C(N)SCCC(=O)O S351814 [0,0,0,0,2,0|2,0,0]=4 56 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [0,0,0,0,2,0|1,0,0]=3 57 B8R0.28 NC(=O)COCC(=O)O CBR00075 [0,0,0,0,2,0|1,1,0]=4 58 B8R0.28 NC(=O)CSCC(=O)N S365033 [0,0,0,0,2,0|2,0,0]=4 59 B8R0.28 NC(=O)CSCC(=O)O EME00128 [0,0,0,0,2,0|1,0,0]=3 60 B8R0.28 NC(=S)SCCC(=O)O S347884 [0,0,0,0,2,0|1,1,0]=4 61 B12R0.268 O=C(O)CCCOCCCC(=O)O T279013 [0,0,0,0,0,2|0,1,0]=3 62 B12R0.268 O=C(O)CCSCSCCC(=O)O S614513 [0,0,0,0,0,2|0,0,0]=2 63 B12R0.268 O=C(O)CSCCCSCC(=O)O L497126 [0,0,0,0,0,2|1,0,0]=3