0 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.148 CCCCCCCCCC(C)O T22221 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.148 CCCCCCCCCC(F)=O T31304 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.148 CCCCCCCCCC(N)=O T31308 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,0,0,0,0,0|0,0,2]=2 10 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,0,0,0,0,0|0,0,2]=2 12 B11R0.148 CCCCCCCCCC([O-])=O T21240 [0,0,0,0,0,0|0,0,3]=3 13 B11R0.148 CCCCCCCCCC([O-])=O T30689 [0,0,0,0,0,0|0,0,3]=3 14 B11R0.148 CCCCCCCCCC([O-])=O T30994 [0,0,0,0,0,0|0,0,3]=3 15 B11R0.148 CCCCCCCCCC([O-])=O T31345 [0,0,0,0,0,0|0,0,3]=3 16 B11R0.148 CCCCCCCCCC([O-])=O T33164 [0,0,0,0,0,0|0,0,3]=3 17 B11R0.148 CCCCCCCCCC([O-])=O T34116 [0,0,0,0,0,0|0,0,3]=3 18 B11R0.148 CCCCCCCCCC([O-])=O T35308 [0,0,0,0,0,0|0,0,3]=3 19 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,0,0,0,0,0|0,0,0]=0 21 B10R0.4 CCCCCCCCC(O)=O T3947 [1,0,0,0,0,0|0,0,1]=2 22 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,0,0,0,0,0|1,0,2]=4 23 B10R0.4 CCCCCCCOC(C)=O TN6701 [1,0,0,0,0,0|2,0,0]=3 24 B10R0.4 NCCCCCCCC(O)=O T8102 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.71 C(CCCCC)CCCCO T21101 [1,0,0,0,0,0|0,0,3]=4 26 B10R0.71 C(CCCCC)CCCCO T30679 [1,0,0,0,0,0|0,0,3]=4 27 B10R0.71 CCCCC/C=C/C=C/C=O T9506 [1,0,0,0,0,0|0,0,2]=3 28 B10R0.71 CCCCCCCCCC=O T8086 [1,0,0,0,0,0|0,0,2]=3 29 B10R0.71 CCCCCCCCCCO T31347 [1,0,0,0,0,0|0,0,3]=4 30 B12R0.4 CCCCCCCC(O)CC(O)=O T7565 [0,1,0,0,0,0|0,0,2]=3 31 B12R0.233 CCCCCC(=O)CCCC(O)=O T29465 [0,1,0,0,0,0|0,0,3]=4 32 B12R0.233 CCCCCC(O)CCCC([O-])=O T29457 [0,1,0,0,0,0|0,0,3]=4 33 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [0,1,0,0,0,0|0,0,0]=1 34 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,1,0,0,0,0|0,0,2]=3 35 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [0,1,0,0,0,0|0,0,3]=4 36 B12R0.234 OCCCCCCC/C=C/C(O)=O T3250 [0,1,0,0,0,0|0,0,0]=1 37 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [0,1,0,0,0,0|0,0,2]=3 38 B12R0.248 CCCCCCCCCC(=O)NC T31309 [0,1,0,0,0,0|1,0,2]=4 39 B12R0.248 CCCCCCCCCC(=O)NN T31346 [0,1,0,0,0,0|1,0,2]=4 40 B12R0.248 CCCCCCCCCC(=O)NO T33614 [0,1,0,0,0,0|0,0,2]=3 41 B12R0.248 CCCCCCCCCC(=O)OC T33337 [0,1,0,0,0,0|0,0,2]=3 42 B12R0.251 CCCCCCCC[C@@H](C)C(O)=O T31341 [0,1,0,0,0,0|0,0,2]=3 43 B12R0.251 CCCCCCCC[C@H](O)C(O)=O T29352 [0,1,0,0,0,0|0,0,2]=3 44 B12R0.268 CC(=O)CCCCCCCC(O)=O T31343 [0,1,0,0,0,0|0,0,3]=4 45 B12R1.7 CCCCCCC1CCC(=O)O1 T8078 [0,0,0,1,0,0|0,0,2]=3 46 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [0,0,0,1,0,0|0,0,2]=3 47 B12R1.252 OC(=O)CCCC1CCCCC1 T20374 [0,0,0,1,0,0|0,0,2]=3 48 B9R0.2 CCCCC/C=C/C(O)=O T5261 [2,0,0,0,0,0|0,0,0]=2 49 B9R0.2 CCCCCCCC(C)=O T29360 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.2 CCCCCCCC(C)O TN6692 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.2 CCCCCCCC(O)=O T3946 [2,0,0,0,0,0|0,0,0]=2 52 B9R0.2 CCCCCNCC(N)=O T24465 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.2 CCCCCNCC(N)=O T50055 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.2 CNCCOCCC(O)=O T16047 [2,0,0,0,0,0|2,0,0]=4 55 B9R0.2 COCCOCCC(O)=O T15841 [2,0,0,0,0,0|2,0,0]=4 56 B9R0.2 NOCCCCCC(O)=O T18489 [2,0,0,0,0,0|2,0,0]=4 57 B9R0.2 OC(=O)CCCCCC#C T17345 [2,0,0,0,0,0|0,0,2]=4 58 B9R0.45 C=CCCCCCCCC T21040 [2,0,0,0,0,0|0,0,1]=3 59 B9R0.45 CCCCCCCCCO TN6912 [2,0,0,0,0,0|0,0,2]=4 60 B11R0.2 CCCCCCC(=O)CC(C)=O T31334 [1,1,0,0,0,0|1,0,1]=4 61 B11R0.40 CCCCCCCCC(=C)C=O T31306 [1,1,0,0,0,0|1,0,1]=4 62 B11R0.40 CCCCCCCCC(=O)C=O T31307 [1,1,0,0,0,0|0,0,2]=4 63 B11R0.40 CCCCCCCCC(=O)OC TN6918 [1,1,0,0,0,0|0,0,1]=3 64 B11R0.176 OC(=O)CCCCC(S)CCS T21233 [1,1,0,0,0,0|1,0,1]=4 65 B11R0.176 OC(=O)CCCC[C@@H](S)CCS T21234 [1,1,0,0,0,0|1,0,1]=4 66 B11R0.3 CCCCCC/C=C/CCC=O T29255 [1,1,0,0,0,0|0,0,2]=4 67 B11R0.3 CCCCCCCCCCC=O TN6898 [1,1,0,0,0,0|0,0,2]=4 68 B11R0.81 CCCCCCC(=O)/C=C/C=O T31275 [1,1,0,0,0,0|0,0,1]=3 69 B13R0.54 CCCCCC/C=C\CCCC(O)=O T8240 [0,2,0,0,0,0|0,0,2]=4 70 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [0,2,0,0,0,0|0,0,2]=4 71 B13R0.54 NCCCCCCCCCCC(O)=O T17323 [0,2,0,0,0,0|0,0,2]=4 72 B13R0.54 OOCCCCCCCCCC(O)=O T33476 [0,2,0,0,0,0|0,0,2]=4 73 B13R0.147 CCCCCCCCCCC(=O)OC T9505 [0,2,0,0,0,0|0,0,2]=4 74 B13R0.2 CCCCCCCCCC(=O)OCC T31708 [0,2,0,0,0,0|0,0,2]=4 75 B13R0.61 CCCCCCCCC(CC)C(O)=O T31340 [0,2,0,0,0,0|0,0,2]=4 76 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [1,0,0,1,0,0|0,0,1]=3 77 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [1,0,0,1,0,0|0,0,1]=3 78 B13R1.27 CCCCCCCC1CCC(O1)=O TN6744 [0,1,0,1,0,0|0,0,2]=4 79 B13R1.3688 CCCCCCC1(C)CCC(=O)O1 T31472 [0,1,0,1,0,0|0,0,2]=4 80 B13R2.13710 [C@@H]12CC[C@@H](N1)C(=CCC2)C(C)=O T22478 [0,0,0,2,0,0|2,0,0]=4