0 B10R0.4 C(CCCCC)CCC(C)C T29356 [1,0,0,0,0,0|2,0,1]=4 1 B10R0.4 CC(=O)CCCCCCC=C T29489 [1,0,0,0,0,0|1,0,2]=4 2 B10R0.4 CCCCCCCCC(C)C T31326 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.4 CCCCCCCCC(O)=O T3947 [1,0,0,0,0,0|0,0,0]=1 4 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,0,0,0,0,0|1,0,1]=3 6 B10R0.4 CCCCCCCOC(C)=O TN6701 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 NCCCCCCCC(O)=O T8102 [1,0,0,0,0,0|1,0,0]=2 8 B10R0.4 NCCOCCOCC(O)=O T15459 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.4 OCCOCCOCC(O)=O T15521 [1,0,0,0,0,0|3,0,0]=4 10 B10R0.78 CCCCC(C)CCC(O)=O T8089 [1,0,0,0,0,0|0,0,0]=1 11 B10R0.91 CCCCCC(O)/C=C/C=O T10148 [1,0,0,0,0,0|1,0,2]=4 12 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [1,0,0,0,0,0|1,0,1]=3 13 B10R0.91 CCCCC[C@H](O)CCCC T31301 [1,0,0,0,0,0|2,0,1]=4 14 B12R0.98 CCCC[C@@H](C)[C@@H](C)CCC(C)C T31324 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.6 CCCCCC(CC(O)=O)O T9719 [0,0,0,0,1,0|1,0,0]=2 16 B12R0.233 CCCCCC(=O)CCCC(O)=O T29465 [0,0,0,0,0,1|1,0,1]=3 17 B12R0.233 CCCCCC(O)CCCC([O-])=O T29457 [0,0,0,0,0,1|1,0,1]=3 18 B9R0.2 CCCCC/C=C/C(O)=O T5261 [2,0,0,0,0,0|0,0,2]=4 19 B9R0.2 CCCCCCCC(C)=O T29360 [2,0,0,0,0,0|1,0,0]=3 20 B9R0.2 CCCCCCCC(C)O TN6692 [2,0,0,0,0,0|1,0,1]=4 21 B9R0.2 CCCCCCCC(O)=O T3946 [2,0,0,0,0,0|0,0,0]=2 22 B9R0.2 CCCCCNCC(N)=O T24465 [2,0,0,0,0,0|2,0,0]=4 23 B9R0.2 CCCCCNCC(N)=O T50055 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.2 CNCCOCCC(O)=O T16047 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.2 COCCOCCC(O)=O T15841 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.2 NOCCCCCC(O)=O T18489 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.2 OC(=O)CCCCCC#C T17345 [2,0,0,0,0,0|0,0,2]=4 28 B9R0.45 C=CCCCCCCCC T21040 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.45 CCCCCCCCCO TN6912 [2,0,0,0,0,0|0,0,1]=3 30 B11R0.2 CCCCCCC(=O)CC(C)=O T31334 [1,1,0,0,0,0|1,0,1]=4 31 B11R0.30 CC(=O)NCCCCCC(O)=O T0436 [1,1,0,0,0,0|1,0,1]=4 32 B11R0.30 OC(=O)CCCCCCC(O)=O T4734 [1,1,0,0,0,0|1,0,1]=4 33 B11R0.40 CCCCCCCCC(=C)C=O T31306 [1,1,0,0,0,0|1,0,0]=3 34 B11R0.40 CCCCCCCCC(=O)C=O T31307 [1,1,0,0,0,0|0,0,1]=3 35 B11R0.40 CCCCCCCCC(=O)OC TN6918 [1,1,0,0,0,0|0,0,0]=2 36 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [1,1,0,0,0,0|1,0,1]=4 37 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [1,1,0,0,0,0|0,0,2]=4 38 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [1,1,0,0,0,0|1,0,1]=4 39 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [1,1,0,0,0,0|2,0,0]=4 40 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [1,1,0,0,0,0|0,0,1]=3 41 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [1,1,0,0,0,0|0,0,1]=3 42 B11R0.148 CCCCCCCCCC(C)=O T8017 [1,1,0,0,0,0|1,0,0]=3 43 B11R0.148 CCCCCCCCCC(C)O T22221 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.148 CCCCCCCCCC(F)=O T31304 [1,1,0,0,0,0|1,0,0]=3 45 B11R0.148 CCCCCCCCCC(N)=O T31308 [1,1,0,0,0,0|1,0,0]=3 46 B11R0.148 CCCCCCCCCC(O)=O T30126 [1,1,0,0,0,0|0,0,0]=2 47 B11R0.148 CCCCCCCCCC(O)=O T33472 [1,1,0,0,0,0|0,0,0]=2 48 B11R0.148 CCCCCCCCCC(O)=O T33485 [1,1,0,0,0,0|0,0,0]=2 49 B11R0.148 CCCCCCCCCC(O)=O T3379 [1,1,0,0,0,0|0,0,0]=2 50 B11R0.148 CCCCCCCCCC(O)=O T34161 [1,1,0,0,0,0|0,0,0]=2 51 B11R0.148 CCCCCCCCCC([O-])=O T21240 [1,1,0,0,0,0|0,0,1]=3 52 B11R0.148 CCCCCCCCCC([O-])=O T30689 [1,1,0,0,0,0|0,0,1]=3 53 B11R0.148 CCCCCCCCCC([O-])=O T30994 [1,1,0,0,0,0|0,0,1]=3 54 B11R0.148 CCCCCCCCCC([O-])=O T31345 [1,1,0,0,0,0|0,0,1]=3 55 B11R0.148 CCCCCCCCCC([O-])=O T33164 [1,1,0,0,0,0|0,0,1]=3 56 B11R0.148 CCCCCCCCCC([O-])=O T34116 [1,1,0,0,0,0|0,0,1]=3 57 B11R0.148 CCCCCCCCCC([O-])=O T35308 [1,1,0,0,0,0|0,0,1]=3 58 B11R0.148 CCCCCCCCOC(C)=O T5667 [1,1,0,0,0,0|1,0,0]=3 59 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [1,1,0,0,0,0|0,0,1]=3 60 B11R0.148 NCCOCCOCCC(O)=O T14228 [1,1,0,0,0,0|2,0,0]=4 61 B11R0.148 OC(=O)CCOCCOCCBr T14789 [1,1,0,0,0,0|2,0,0]=4 62 B11R0.148 OCCOCCOCCC(O)=O T15515 [1,1,0,0,0,0|2,0,0]=4 63 B11R0.176 OC(=O)CCCCC(S)CCS T21233 [1,1,0,0,0,0|1,0,0]=3 64 B11R0.176 OC(=O)CCCC[C@@H](S)CCS T21234 [1,1,0,0,0,0|1,0,0]=3 65 B11R0.164 CCCCC(CC)CCC(O)=O T7456 [1,1,0,0,0,0|0,0,0]=2 66 B11R0.5 CCCCC(C)CC(C)CCC T31328 [1,1,0,0,0,0|1,0,1]=4 67 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O T16447 [0,1,0,0,1,0|1,0,0]=3 68 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O T32143 [0,1,0,0,1,0|1,0,0]=3 69 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [1,0,0,1,0,0|0,0,0]=2 70 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [1,0,0,1,0,0|0,0,0]=2 71 B11R1.86 CN1CCCCC1CC(C)=O TN4560 [1,0,0,1,0,0|2,0,0]=4 72 B13R1.1711 ONC(=N)CCN1CCCCCC1 T34733 [0,1,0,1,0,0|2,0,0]=4 73 B13R1.3688 CCCCCCC1(C)CCC(=O)O1 T31472 [0,1,0,1,0,0|0,0,0]=2 74 B9R0.4 NCCC[C@@H](N)CC(O)=O T29260 [1,0,0,0,1,0|2,0,0]=4 75 B9R0.47 CCCCCC(C)C(O)=O T8008 [0,0,0,0,2,0|0,0,0]=2 76 B9R0.47 CCSCC[C@@H](C(O)=O)N T20128 [0,0,0,0,2,0|2,0,0]=4 77 B9R0.47 NCCCCC(N)C(O)=O T19290 [0,0,0,0,2,0|2,0,0]=4 78 B9R0.47 NCCCC[C@@H](N)C(O)=O T21054 [0,0,0,0,2,0|2,0,0]=4 79 B9R0.47 NCCCC[C@@H](N)C(O)=O T33065 [0,0,0,0,2,0|2,0,0]=4 80 B9R0.47 NCCCC[C@H](N)C(O)=O T21053 [0,0,0,0,2,0|2,0,0]=4 81 B9R0.47 NCCCC[C@H](N)C(O)=O T21055 [0,0,0,0,2,0|2,0,0]=4 82 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498 [0,0,0,0,2,0|2,0,0]=4 83 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498L2 [0,0,0,0,2,0|2,0,0]=4 84 B9R0.47 NCCCC[C@H](N)C(O)=O T32815 [0,0,0,0,2,0|2,0,0]=4 85 B9R0.47 NCCCC[C@H](N)C(O)=O T32819 [0,0,0,0,2,0|2,0,0]=4 86 B9R0.47 NCCCC[C@H](N)C(O)=O T33047 [0,0,0,0,2,0|2,0,0]=4 87 B9R0.47 NCCCC[C@H](N)C(O)=O T33050 [0,0,0,0,2,0|2,0,0]=4 88 B9R0.47 NCCCC[C@H](N)C(O)=O T33051 [0,0,0,0,2,0|2,0,0]=4 89 B9R0.47 NCCCC[C@H](N)C(O)=O T33054 [0,0,0,0,2,0|2,0,0]=4 90 B9R0.47 NCCCC[C@H](N)C(O)=O T33056 [0,0,0,0,2,0|2,0,0]=4 91 B9R0.47 NCCCC[C@H](N)C(O)=O T33057 [0,0,0,0,2,0|2,0,0]=4 92 B9R0.47 NCCCC[C@H](N)C(O)=O T33060 [0,0,0,0,2,0|2,0,0]=4 93 B9R0.47 NCCCC[C@H](N)C(O)=O T33061 [0,0,0,0,2,0|2,0,0]=4 94 B9R0.47 NCCCC[C@H](N)C(O)=O T33063 [0,0,0,0,2,0|2,0,0]=4 95 B9R0.47 NCCCC[C@H](N)C(O)=O T33089 [0,0,0,0,2,0|2,0,0]=4 96 B9R0.47 NCCCC[C@H](N)C(O)=O T8071 [0,0,0,0,2,0|2,0,0]=4 97 B9R0.47 NCCCC[C@H]([NH3+])C(O)=O T2A2498L [0,0,0,0,2,0|2,0,0]=4 98 B9R0.47 N[C@@H](CCCCN)C(O)=O T24153 [0,0,0,0,2,0|2,0,0]=4 99 B9R0.47 N[C@@H](CCCCN)C(O)=O T2A2498L3 [0,0,0,0,2,0|2,0,0]=4