0 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)O 1P005JD8 [0,0,0,0,0,0|0,0,0]=0 1 B18R0.233 CCCCCCCCCCCC(=O)OCCC(C)C 1P0035I6 [0,0,0,0,0,0|3,0,1]=4 2 B18R0.233 CCCCCCCCCCCC(CCCC(=O)O)O 1P01QX7S [0,0,0,0,0,0|0,0,2]=2 3 B17R0.43 BrCCCCCCCCCCCCCCC(=O)O 1P00EHD7 [1,0,0,0,0,0|1,0,1]=3 4 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O 1P005TGP [1,0,0,0,0,0|0,0,3]=4 5 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O 1P01I4CB [1,0,0,0,0,0|0,0,3]=4 6 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O 1P006XDF [1,0,0,0,0,0|0,0,3]=4 7 B17R0.43 CCCCCCCCCCCCCCCC(=O)C 1P002Y8B [1,0,0,0,0,0|1,0,1]=3 8 B17R0.43 CCCCCCCCCCCCCCCC(=O)N 1P003RCB [1,0,0,0,0,0|1,0,1]=3 9 B17R0.43 CCCCCCCCCCCCCCCC(=O)O 1P002SZ6 [1,0,0,0,0,0|0,0,1]=2 10 B17R0.43 CCCCCCCCCCCCCCCC(=O)O 1P003A0I [1,0,0,0,0,0|0,0,1]=2 11 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] 1P003U08 [1,0,0,0,0,0|0,0,2]=3 12 B17R0.43 CCCCCCCCCCCCCCCC(O)C 1P001YBI [1,0,0,0,0,0|1,0,2]=4 13 B17R0.43 CCCCCCCCCCCCCCC[13C](=O)O 1P003U0A [1,0,0,0,0,0|0,0,1]=2 14 B17R0.43 CCCCCCCCCCCCCCOC(=O)C 1P00E9YX [1,0,0,0,0,0|2,0,1]=4 15 B17R0.43 CCCCCCCCCCCCCC[13CH2]C(=O)O 1P00BF47 [1,0,0,0,0,0|0,0,1]=2 16 B17R0.43 CCCCCCCCCCCCC\C=C/C(=O)O 1P00BERM [1,0,0,0,0,0|0,0,3]=4 17 B17R0.43 CCCCCCCCCCCCC\C=C\C(=O)O 1P003HTN [1,0,0,0,0,0|0,0,3]=4 18 B17R0.43 CCCCCCCCCCCCSCCC(=O)O 1P001E9O [1,0,0,0,0,0|1,0,1]=3 19 B17R0.43 CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](=O)O 1P01LJ38 [1,0,0,0,0,0|0,0,1]=2 20 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O 1P00B28P [1,0,0,0,0,0|0,0,3]=4 21 B17R0.43 CCCCCCCC\C=C/CCCCCC(=O)O 1P00BEQD [1,0,0,0,0,0|0,0,3]=4 22 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O 1P00I7TD [1,0,0,0,0,0|0,0,3]=4 23 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O 1P0001ZR [1,0,0,0,0,0|0,0,3]=4 24 B17R0.43 NCCCCCCCCCCCCCCC(=O)O 1P00203I [1,0,0,0,0,0|1,0,1]=3 25 B17R0.43 OCCCCCCCCCCCCCCC(=O)O 1P003EC4 [1,0,0,0,0,0|1,0,1]=3 26 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC 1P003P2P [1,0,0,0,0,0|2,0,1]=4 27 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)OC 1P0283JQ [0,1,0,0,0,0|1,0,0]=2 28 B19R0.9211 CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-] 1P00FBMG [0,1,0,0,0,0|2,0,1]=4 29 B19R1.15489 CCCCCCCCCCCC1SC[C@H](N1)C(=O)O 1P00BCN5 [0,0,0,1,0,0|2,0,1]=4 30 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O 1P0039R4 [0,0,0,0,1,0|1,0,0]=2 31 B16R0.274 BrCCCCCCCCCCCCCC(=O)O 1P01JM8T [2,0,0,0,0,0|1,0,0]=3 32 B16R0.274 C=CCCCCCCCCCCCCC(=O)O 1P001ZG1 [2,0,0,0,0,0|0,0,2]=4 33 B16R0.274 CCCCCCCCCCCCCCB(O)O 1P0003KS [2,0,0,0,0,0|1,0,1]=4 34 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1P002H08 [2,0,0,0,0,0|1,0,0]=3 35 B16R0.274 CCCCCCCCCCCCCCC(=O)N 1P007AAF [2,0,0,0,0,0|1,0,0]=3 36 B16R0.274 CCCCCCCCCCCCCCC(=O)O 1P0001OM [2,0,0,0,0,0|0,0,0]=2 37 B16R0.274 CCCCCCCCCCCCCCC(O)C 1P001LGV [2,0,0,0,0,0|1,0,1]=4 38 B16R0.274 CCCCCCCCCCCCCOC(=O)C 1P003VHV [2,0,0,0,0,0|2,0,0]=4 39 B16R0.274 CCCCCCCCCCCCNCC(=O)O 1P006X3Y [2,0,0,0,0,0|1,0,0]=3 40 B16R0.274 CCCCCCCCCCNCCCC(=O)O 1P019UJI [2,0,0,0,0,0|1,0,0]=3 41 B16R0.274 CCCC\C=C/CCCCCCCCC(=O)O 1P00G2MZ [2,0,0,0,0,0|0,0,2]=4 42 B16R0.274 CCCC\C=C\CCCCCCCCC(=O)O 1P00CALB [2,0,0,0,0,0|0,0,2]=4 43 B16R0.274 OCCCCCCCCCCCCCC(=O)O 1P003ATI [2,0,0,0,0,0|1,0,0]=3 44 B16R0.274 SCCCCCCCCCCCCCC(=O)O 1P0075JP [2,0,0,0,0,0|1,0,0]=3 45 B16R0.303 CCCCCCCCCCCCCCCC=O 1P003RCA [2,0,0,0,0,0|0,0,1]=3 46 B16R0.661 CCCCCCCCCCCC(=O)NCCO 1P003A4S [2,0,0,0,0,0|1,0,0]=3 47 B16R0.661 CCCCCCCCCCCC(=O)OCCC 1P003UGL [2,0,0,0,0,0|1,0,1]=4 48 B16R0.661 CCCCCCCCCCCC(=O)OCCCl 1P003ROX [2,0,0,0,0,0|2,0,0]=4 49 B18R0.2 CCCCC(=O)CCCCCCCCCCC(=O)O 1P0251A2 [1,1,0,0,0,0|0,0,2]=4 50 B18R0.2 CCCCC(CCCCCCCCCCC(=O)O)O 1P008J3L [1,1,0,0,0,0|0,0,1]=3 51 B18R0.94 CCCCCCCCC(=O)CCCCCCC(=O)O 1P01JQDP [1,1,0,0,0,0|0,0,2]=4 52 B18R0.94 CCCCCCCCC(CCCCCCC(=O)O)O 1P01P05E [1,1,0,0,0,0|0,0,1]=3 53 B18R0.114 CCC(=O)CCCCCCCCCCCCC(=O)O 1P01XDC1 [1,1,0,0,0,0|0,0,2]=4 54 B18R0.114 CCC(CCCCCCCCCCCCC(=O)O)C 1P00EBMK [1,1,0,0,0,0|0,0,1]=3 55 B18R0.114 CCC(CCCCCCCCCCCCC(=O)O)O 1P01XCEW [1,1,0,0,0,0|0,0,1]=3 56 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)O 1P0050T0 [1,1,0,0,0,0|0,0,2]=4 57 B18R0.127 CCCCCCC(CCCCCCCCC(=O)O)O 1P002MGV [1,1,0,0,0,0|0,0,1]=3 58 B18R0.171 BrCCCCCCCCCCCCCCC(=O)OC 1P0073AI [1,1,0,0,0,0|1,0,1]=4 59 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1P00FUC2 [1,1,0,0,0,0|1,0,1]=4 60 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN 1P002SM0 [1,1,0,0,0,0|1,0,1]=4 61 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC 1P003SIC [1,1,0,0,0,0|0,0,1]=3 62 B18R0.171 OCCCCCCCCCCCCCCC(=O)OC 1P005L7W [1,1,0,0,0,0|1,0,1]=4 63 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)Br 1P0024I6 [1,1,0,0,0,0|0,0,1]=3 64 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)C 1P003I63 [1,1,0,0,0,0|0,0,1]=3 65 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)Cl 1P002FK4 [1,1,0,0,0,0|0,0,1]=3 66 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)F 1P001WGH [1,1,0,0,0,0|0,0,1]=3 67 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)N 1P005SBY [1,1,0,0,0,0|0,0,1]=3 68 B18R0.174 CCCCCCCCCCCCCCC(C(=O)O)O 1P003HWJ [1,1,0,0,0,0|0,0,1]=3 69 B18R0.176 BrCCCCCCCCCCCCCCCC(=O)O 1P003EC6 [1,1,0,0,0,0|0,0,1]=3 70 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O 1P00EFYS [1,1,0,0,0,0|0,0,2]=4 71 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl 1P003RX1 [1,1,0,0,0,0|1,0,1]=4 72 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N 1P00BTC5 [1,1,0,0,0,0|1,0,1]=4 73 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O 1P00DF67 [1,1,0,0,0,0|0,0,1]=3 74 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O 1P00GRRW [1,1,0,0,0,0|0,0,1]=3 75 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] 1P001ZN2 [1,1,0,0,0,0|0,0,2]=4 76 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C 1P003U1I [1,1,0,0,0,0|1,0,1]=4 77 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O 1P002Y6F [1,1,0,0,0,0|0,0,1]=3 78 B18R0.176 CCCCCCC\C=C/CCCCCCCC(=O)O 1P01SNM1 [1,1,0,0,0,0|0,0,2]=4 79 B18R0.176 CCCCCC\C=C/CCCCCCCCC(=O)O 1P002ZQZ [1,1,0,0,0,0|0,0,2]=4 80 B18R0.176 CCCCCC\C=C\CCCCCCCCC(=O)O 1P000TNK [1,1,0,0,0,0|0,0,2]=4 81 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O 1P01QI9A [1,1,0,0,0,0|0,0,1]=3 82 B18R0.176 OCCCCCCCCCCCCCCCC(=O)O 1P003ECA [1,1,0,0,0,0|0,0,1]=3 83 B18R0.176 SCCCCCCCCCCCCCCCC(=O)O 1P003ECB [1,1,0,0,0,0|0,0,1]=3 84 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)O 1P003F1U [1,1,0,0,0,0|1,0,1]=4 85 B18R0.220 CCCCCCCCCCCCCC(CC(=O)O)O 1P007OTA [1,1,0,0,0,0|0,0,1]=3 86 B18R0.974 CC(=O)CCCCCCCCCCCCCC(=O)O 1P024IAZ [1,1,0,0,0,0|0,0,2]=4 87 B18R0.974 CC(CCCCCCCCCCCCCC(=O)O)C 1P00AKSJ [1,1,0,0,0,0|0,0,1]=3 88 B18R0.974 CC(CCCCCCCCCCCCCC(=O)O)O 1P024HRJ [1,1,0,0,0,0|0,0,1]=3 89 B18R0.3137 CCCCCC(=O)CCCCCCCCCC(=O)O 1P01Q2A5 [1,1,0,0,0,0|0,0,2]=4 90 B18R0.7250 CCCCCCCC(CCCCCCCC(=O)O)O 1P01REF7 [1,1,0,0,0,0|0,0,1]=3 91 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)O 1P00E8ZU [1,1,0,0,0,0|0,0,2]=4 92 B18R0.11628 CCCCCCCCCC(CCCCCC(=O)O)O 1P00B3QI [1,1,0,0,0,0|0,0,1]=3 93 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)O 1P0251N9 [1,1,0,0,0,0|0,0,2]=4 94 B18R0.17430 CCCCCCCCCCC(CCCCC(=O)O)O 1P01QEQJ [1,1,0,0,0,0|0,0,1]=3 95 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)O 1P01FZMQ [1,1,0,0,0,0|0,0,2]=4 96 B18R0.19183 CCCCCCCCCCCCC(CCC(=O)O)O 1P01RM6S [1,1,0,0,0,0|0,0,1]=3 97 B18R0.19354 CCCC(=O)CCCCCCCCCCCC(=O)O 1P0276KD [1,1,0,0,0,0|0,0,2]=4 98 B18R0.19354 CCCC(CCCCCCCCCCCC(=O)O)O 1P01OQLC [1,1,0,0,0,0|0,0,1]=3 99 B18R0.7792 CCCCCCCCCCCC(=O)OCCCCC 1P003ROZ [1,1,0,0,0,0|1,0,1]=4 100 B18R0.7795 CCCCCCCCCCCC(=O)OCC(CO)O 1P003SMA [1,1,0,0,0,0|1,0,1]=4 101 B18R0.7795 CCCCCCCCCCCC(=O)OCC(CO)O 1P00DEKD [1,1,0,0,0,0|1,0,1]=4 102 B18R0.6543 CCCCCCCCCCCC(=O)N(CC(=O)O)C 1P00IKCV [0,1,0,0,1,0|1,0,0]=3 103 B18R0.6543 CCCCCCCCCCCC(=O)N(CC(=O)[O-])C 1P0038L5 [0,1,0,0,1,0|1,0,1]=4 104 B18R1.1108 CCCCCCCCCCCC1CCCC(=O)O1 1P005M9F [1,0,0,1,0,0|0,0,1]=3 105 B18R1.1260 CCCCCCCCCCCCC1CCC(=O)O1 1P003AUH [1,0,0,1,0,0|0,0,1]=3 106 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 1P003EC9 [1,0,0,1,0,0|0,0,1]=3 107 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 1P00FAH7 [1,0,0,1,0,0|1,0,1]=4 108 B20R1.689758 OC(=O)CCN(C(=O)CCCCCCCCC1CC1)O 1P00IMVO [0,1,0,1,0,0|1,0,0]=3 109 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O 1P0054LQ [1,0,0,0,1,0|1,0,0]=3 110 B16R0.302 CCCCCCCCCCCC(CC(=O)O)O 1P00CNZK [0,0,0,0,2,0|0,0,2]=4 111 B16R0.302 CCCCCCCCCCC[C@H](CC(=O)O)O 1P002WOO [0,0,0,0,2,0|0,0,2]=4 112 B20R0.10422 CCCCCCCCCCCC(=O)CCCCCC(=O)O 1P001XH1 [0,0,0,0,0,2|0,0,0]=2