0 B13R0.54 CCCCCC/C=C\CCCC(O)=O T8240 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.54 CCCCCCCCCCCC(C)=O T9502 [0,0,0,0,0,0|1,0,0]=1 2 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [0,0,0,0,0,0|2,0,0]=2 3 B13R0.54 CCCCCCCCCCCC([O-])=O T30004 [0,0,0,0,0,0|2,0,0]=2 4 B13R0.54 CCCCOCCOCCOC(C)=O T20251 [0,0,0,0,0,0|2,0,0]=2 5 B13R0.54 COCCOCCOCCSC(C)=O T15864 [0,0,0,0,0,0|3,1,0]=4 6 B13R0.54 NCCCCCCCCCCC(O)=O T17323 [0,0,0,0,0,0|3,0,0]=3 7 B13R0.54 OOCCCCCCCCCC(O)=O T33476 [0,0,0,0,0,0|4,0,0]=4 8 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [1,0,0,0,0,0|1,0,1]=3 9 B12R0.5 CCCCCCCCCCCCO T9514 [1,0,0,0,0,0|1,0,2]=4 10 B12R0.5 CCCCCCCCCCN=C=S T21135 [1,0,0,0,0,0|1,1,1]=4 11 B12R0.5 CCCCCCCCCCOC=C T31314 [1,0,0,0,0,0|0,0,1]=2 12 B12R0.5 CCCCCCCCCCSC#N T31356 [1,0,0,0,0,0|1,1,1]=4 13 B12R0.234 CC(=O)NCCCCNCCCN T19466 [1,0,0,0,0,0|3,0,0]=4 14 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [1,0,0,0,0,0|1,0,2]=4 15 B12R0.234 CCCCCCCCCCC(O)=O T3948 [1,0,0,0,0,0|1,0,0]=2 16 B12R0.234 CCCCCCCCCCS(C)=O T29297 [1,0,0,0,0,0|1,0,0]=2 17 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [1,0,0,0,0,0|1,0,2]=4 18 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [1,0,0,0,0,0|2,0,0]=3 19 B12R0.234 [O-]C(=O)CCCCCCCCC=C T0744 [1,0,0,0,0,0|1,0,2]=4 20 B14R0.88 CCCCCCCCCCOP(O)([O-])=O T29032 [0,1,0,0,0,0|2,0,0]=3 21 B14R0.337 CCCCCCCCCCCC(=O)OC TN6895 [0,1,0,0,0,0|1,0,0]=2 22 B14R0.337 COC(=O)CCCCCCCCCCBr T17694 [0,1,0,0,0,0|2,0,0]=3 23 B14R0.391 CCCCCCCCCC(=O)OC(C)C T21196 [0,1,0,0,0,0|1,0,2]=4 24 B14R0.391 CCCCCCCCCC(O)CC(O)=O T19120 [0,1,0,0,0,0|2,0,0]=3 25 B14R0.394 CCCCCCCCCCCCC(O)=O T3950 [0,1,0,0,0,0|2,0,0]=3 26 B14R0.394 OCCCCCCCCCCCC(O)=O T4879 [0,1,0,0,0,0|2,0,0]=3 27 B11R0.3 CCCCCC/C=C/CCC=O T29255 [2,0,0,0,0,0|0,0,2]=4 28 B11R0.3 CCCCCCCCCCC=O TN6898 [2,0,0,0,0,0|0,0,0]=2 29 B11R0.3 CCCCCCCCCCCC TN6897 [2,0,0,0,0,0|0,0,1]=3 30 B11R0.3 CCCCCCCCCCCO T7480 [2,0,0,0,0,0|0,0,2]=4 31 B11R0.3 CCCCCCCCCCOC T31321 [2,0,0,0,0,0|0,0,0]=2 32 B11R0.3 OCCCCCCCCCC=C T22216 [2,0,0,0,0,0|1,0,1]=4 33 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [2,0,0,0,0,0|2,0,0]=4 34 B11R0.148 CCCCCCCCCC(C)=O T8017 [2,0,0,0,0,0|0,0,0]=2 35 B11R0.148 CCCCCCCCCC(C)O T22221 [2,0,0,0,0,0|0,0,2]=4 36 B11R0.148 CCCCCCCCCC(F)=O T31304 [2,0,0,0,0,0|1,0,0]=3 37 B11R0.148 CCCCCCCCCC(N)=O T31308 [2,0,0,0,0,0|1,0,0]=3 38 B11R0.148 CCCCCCCCCC(O)=O T30126 [2,0,0,0,0,0|1,0,0]=3 39 B11R0.148 CCCCCCCCCC(O)=O T33472 [2,0,0,0,0,0|1,0,0]=3 40 B11R0.148 CCCCCCCCCC(O)=O T33485 [2,0,0,0,0,0|1,0,0]=3 41 B11R0.148 CCCCCCCCCC(O)=O T3379 [2,0,0,0,0,0|1,0,0]=3 42 B11R0.148 CCCCCCCCCC(O)=O T34161 [2,0,0,0,0,0|1,0,0]=3 43 B11R0.148 CCCCCCCCCC([O-])=O T21240 [2,0,0,0,0,0|1,0,0]=3 44 B11R0.148 CCCCCCCCCC([O-])=O T30689 [2,0,0,0,0,0|1,0,0]=3 45 B11R0.148 CCCCCCCCCC([O-])=O T30994 [2,0,0,0,0,0|1,0,0]=3 46 B11R0.148 CCCCCCCCCC([O-])=O T31345 [2,0,0,0,0,0|1,0,0]=3 47 B11R0.148 CCCCCCCCCC([O-])=O T33164 [2,0,0,0,0,0|1,0,0]=3 48 B11R0.148 CCCCCCCCCC([O-])=O T34116 [2,0,0,0,0,0|1,0,0]=3 49 B11R0.148 CCCCCCCCCC([O-])=O T35308 [2,0,0,0,0,0|1,0,0]=3 50 B11R0.148 CCCCCCCCOC(C)=O T5667 [2,0,0,0,0,0|0,0,0]=2 51 B13R0.2 CCCCCCCCCC(=O)OCC T31708 [1,1,0,0,0,0|0,0,2]=4 52 B13R0.147 CCCCCCCCCCC(=O)OC T9505 [1,1,0,0,0,0|2,0,0]=4 53 B13R0.336 CCCCCCCCCCCCCC TN6959 [1,1,0,0,0,0|1,0,1]=4 54 B13R0.280 CCCCCCCCCCP(O)(O)=O T21191 [1,1,0,0,0,0|2,0,0]=4 55 B13R0.280 CCCCCCCCCCS(O)(=O)=O T31358 [1,1,0,0,0,0|2,0,0]=4 56 B15R0.81 CCCCCCCCCCCCC(=O)OC TN6919 [0,2,0,0,0,0|1,0,0]=3 57 B15R0.164 CCC/C=C\CCCCCCCOC(C)=O T20508 [0,2,0,0,0,0|0,0,0]=2 58 B15R0.164 CCCC/C=C\CCCCCCOC(C)=O T20807 [0,2,0,0,0,0|0,0,0]=2 59 B15R0.164 CCCCCCCCCCCCCC(O)=O T3949 [0,2,0,0,0,0|2,0,0]=4 60 B15R0.164 OC(=O)CCCCCCCCCCCC#C T14184 [0,2,0,0,0,0|2,0,0]=4 61 B15R0.222 CS(=O)CCCCCCCCCCS(C)=O T31316 [0,2,0,0,0,0|2,0,0]=4 62 B13R1.27 CCCCCCCC1CCC(O1)=O TN6744 [1,0,0,1,0,0|1,0,0]=3 63 B15R1.34 CCCCCCCCCC1OCC(C)O1 T31303 [0,1,0,1,0,0|0,0,2]=4