0 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl S160984 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.30 C(CCCC(=O)O)CCC(=O)O S105586 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.30 C(CNCC(=O)O)NCC(=O)O E156066 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.30 C(CSCC(=O)O)SCC(=O)O E156356 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.30 C(CSSCCC(=O)O)C(=O)O D106546 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.30 C(CSSCCC(=O)O)C(=O)O D305354 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.30 CC(=O)NCCCCCC(=O)O A300350 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.30 CC(=O)OCC=CCOC(=O)C B191745 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.4 C(CCCC(=O)O)CCCO H473772 [1,0,0,0,0,0|0,0,3]=4 9 B10R0.4 C=CCCCCCCC(=O)O N404785 [1,0,0,0,0,0|1,0,2]=4 10 B12R0.42 C(CC(=O)O)CSCC(C(=O)O)N S357272 [0,1,0,0,0,0|1,0,1]=3 11 B12R0.184 COC(=O)CCCCCCC(=O)Cl M341195 [0,1,0,0,0,0|1,0,2]=4 12 B12R0.184 COC(=O)CCCCCCC(=O)O S119949 [0,1,0,0,0,0|0,0,2]=3 13 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H194243 [0,0,0,1,0,0|1,0,2]=4 14 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H425147 [0,0,0,1,0,0|1,0,2]=4 15 B12R1.261 C1C=CCC(C1C(=O)O)C(=O)O C101943 [0,0,0,1,0,0|0,0,0]=1 16 B12R1.261 C1CCC(C(C1)C(=O)O)C(=O)O C124595 [0,0,0,1,0,0|0,0,2]=3 17 B12R1.261 C1CCC(C(C1)C(=O)O)C(=O)O C133943 [0,0,0,1,0,0|0,0,2]=3 18 B12R1.261 C1CCC(C(C1)C(=O)O)C(=O)O S137111 [0,0,0,1,0,0|0,0,2]=3 19 B12R1.261 C1CCC(C(C1)C(=O)O)C(=O)O T124728 [0,0,0,1,0,0|0,0,2]=3 20 B10R0.97 C(C(=O)O)SCSCC(=O)O M158076 [0,0,0,0,1,0|2,0,1]=4 21 B10R0.97 C(CCC(=O)Cl)CCC(=O)Cl P124592 [0,0,0,0,1,0|2,0,1]=4 22 B10R0.97 C(CCC(=O)O)CCC(=O)O P110547 [0,0,0,0,1,0|0,0,1]=2 23 B10R0.97 C(COCCC(=O)O)C(=O)O O589607 [0,0,0,0,1,0|1,0,0]=2 24 B10R0.97 C(CSCCC(=O)O)C(=O)O T106635 [0,0,0,0,1,0|1,0,0]=2 25 B10R0.97 C(CSCCC(=O)O)C(=O)O T431470 [0,0,0,0,1,0|1,0,0]=2 26 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,0,0,0,1,0|1,0,1]=3 27 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A108439 [0,0,0,0,0,1|0,0,2]=3 28 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A108440 [0,0,0,0,0,1|0,0,2]=3 29 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A421035 [0,0,0,0,0,1|0,0,2]=3 30 B12R0.268 C(CNCC(=O)O)CNCC(=O)O D154382 [0,0,0,0,0,1|1,0,2]=4 31 B12R0.268 C(CSCSCCC(=O)O)C(=O)O M348791 [0,0,0,0,0,1|1,0,1]=3 32 B9R0.2 C(CCCO)CCC(=O)O H334249 [2,0,0,0,0,0|0,0,2]=4 33 B9R0.2 C=CCCCCCC(=O)O O168152 [2,0,0,0,0,0|1,0,1]=4 34 B9R0.45 C=CCCC=CCCC=C D155267 [2,0,0,0,0,0|2,0,0]=4 35 B11R0.148 CCCCCC=CCCC(=O)O D303268 [1,1,0,0,0,0|1,0,1]=4 36 B11R0.29 C(CCC(=O)O)CC(C(=O)O)N A589712 [0,1,0,0,1,0|0,0,1]=3 37 B11R0.31 C(CCC(=O)O)CCP(=O)(O)O P333617 [0,1,0,0,1,0|1,0,1]=4 38 B11R0.85 C(C(=O)O)SC(=S)SCC(=O)O B152607 [0,1,0,0,1,0|2,0,0]=4 39 B13R0.202 COC(=O)CCCCCCCC(=O)O M158698 [0,1,0,0,0,1|0,0,2]=4 40 B13R0.51 C(CC(=O)NCC(=O)O)C(C(=O)O)N D275065 [0,2,0,0,0,0|1,0,1]=4 41 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N C100539 [0,2,0,0,0,0|2,0,0]=4 42 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N C103190 [0,2,0,0,0,0|2,0,0]=4 43 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N C108225 [0,2,0,0,0,0|2,0,0]=4 44 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N C108226 [0,2,0,0,0,0|2,0,0]=4 45 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N C108227 [0,2,0,0,0,0|2,0,0]=4 46 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N C118619 [0,2,0,0,0,0|2,0,0]=4 47 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N C298727 [0,2,0,0,0,0|2,0,0]=4 48 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N L133106 [0,2,0,0,0,0|2,0,0]=4 49 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N L432952 [0,2,0,0,0,0|2,0,0]=4 50 B13R0.353 C(C(C(=O)O)N)SSCC(C(=O)O)N L476402 [0,2,0,0,0,0|2,0,0]=4 51 B13R0.353 C(CSCC(C(=O)O)N)C(C(=O)O)N D136654 [0,2,0,0,0,0|1,0,1]=4 52 B13R0.353 C(CSCC(C(=O)O)N)C(C(=O)O)N L139006 [0,2,0,0,0,0|1,0,1]=4 53 B13R0.88 CCOC(=O)CCCCCCC(=O)O E330642 [0,2,0,0,0,0|0,0,2]=4 54 B13R0.201 C(CCCC(=O)NO)CCC(=O)NO S135494 [0,2,0,0,0,0|0,0,2]=4 55 B13R0.201 COC(=O)CCSSCCC(=O)OC D105642 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.90 C1CC(=O)N(C1)CCC(=O)O O347695 [1,0,0,1,0,0|1,0,1]=4 57 B9R0.55 C(=CC(=O)O)C=CC(=O)O C420637 [0,0,0,0,2,0|0,0,2]=4 58 B9R0.55 C(=CC(=O)O)C=CC(=O)O I132987 [0,0,0,0,2,0|0,0,2]=4 59 B9R0.55 C(=CC(=O)O)C=CC(=O)O T162087 [0,0,0,0,2,0|0,0,2]=4 60 B9R0.55 C(=CC(=O)O)C=CC(=O)O T333830 [0,0,0,0,2,0|0,0,2]=4 61 B9R0.55 C(=CC(=O)O)C=CC(=O)O T423615 [0,0,0,0,2,0|0,0,2]=4 62 B9R0.55 C(C(=O)O)SSCC(=O)O D113563 [0,0,0,0,2,0|2,0,0]=4 63 B9R0.55 C(C=CCC(=O)O)C(=O)O T162070 [0,0,0,0,2,0|0,0,0]=2 64 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A109761 [0,0,0,0,2,0|2,0,0]=4 65 B9R0.55 C(CCC(=O)N)CC(=O)N A151413 [0,0,0,0,2,0|2,0,0]=4 66 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [0,0,0,0,2,0|0,0,0]=2 67 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [0,0,0,0,2,0|0,0,0]=2 68 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [0,0,0,0,2,0|0,0,0]=2 69 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [0,0,0,0,2,0|0,0,0]=2 70 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [0,0,0,0,2,0|0,0,0]=2 71 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [0,0,0,0,2,0|0,0,0]=2 72 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [0,0,0,0,2,0|0,0,0]=2 73 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [0,0,0,0,2,0|0,0,0]=2 74 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [0,0,0,0,2,0|0,0,0]=2 75 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] A299362 [0,0,0,0,2,0|0,0,2]=4 76 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] D154297 [0,0,0,0,2,0|0,0,2]=4 77 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,0,0,0,2,0|1,0,0]=3 78 B9R0.55 CC(=O)NCCCC(=O)O A169398 [0,0,0,0,2,0|2,0,0]=4 79 B13R0.179 C(CC(=O)O)CSSCCCC(=O)O D154680 [0,0,0,0,0,2|0,0,2]=4 80 B13R0.179 C(CC(=O)O)CSSCCCC(=O)O D154702 [0,0,0,0,0,2|0,0,2]=4 81 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O N304903 [0,0,0,0,0,2|0,0,2]=4 82 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O S108452 [0,0,0,0,0,2|0,0,2]=4 83 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O S108453 [0,0,0,0,0,2|0,0,2]=4 84 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O S420619 [0,0,0,0,0,2|0,0,2]=4 85 B13R0.179 C(CNCCNCCC(=O)O)C(=O)O E330581 [0,0,0,0,0,2|0,0,2]=4 86 B13R0.179 C(COCCOCCC(=O)O)C(=O)O B339051 [0,0,0,0,0,2|0,0,2]=4