0 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.74 ICC(=O)NCCCCC#C T15543 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.2 CC(=O)NCCCCCN T5222 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.2 CCCCC/C=C/C(O)=O T5261 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 CCCCCCCC(C)=O T29360 [1,0,0,0,0,0|0,0,0]=1 6 B9R0.2 CCCCCCCC(C)O TN6692 [1,0,0,0,0,0|0,0,2]=3 7 B9R0.2 CCCCCCCC(O)=O T3946 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.2 CCCCCNCC(N)=O T24465 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.2 CCCCCNCC(N)=O T50055 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 CNCCOCCC(O)=O T16047 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.2 COCCOCCC(O)=O T15841 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.2 NOCCCCCC(O)=O T18489 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.2 OC(=O)CCCCCC#C T17345 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.45 C=CCCCCCCCC T21040 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.45 CCCC/C=C\CCCC T31276 [1,0,0,0,0,0|0,0,3]=4 16 B9R0.45 CCCCCCCCCO TN6912 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.46 COC(=O)CCOCCO T15511 [1,0,0,0,0,0|3,0,0]=4 18 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,1,0,0,0,0|0,0,0]=1 19 B11R0.40 CCCCCCCCC(=C)C=O T31306 [0,1,0,0,0,0|2,0,1]=4 20 B11R0.40 CCCCCCCCC(=O)C=O T31307 [0,1,0,0,0,0|1,0,1]=3 21 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,1,0,0,0,0|1,0,0]=2 22 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,1,0,0,0,0|1,0,2]=4 23 B11R0.42 CCCCCCCC(C)C(C)C T31332 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [0,0,0,1,0,0|1,0,0]=2 25 B11R1.40 CCC(=O)OC1CCCCC1 T29781 [0,0,0,1,0,0|1,0,0]=2 26 B8R0.4 NCCCCCCCN T7998 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.7 CC(=O)NCCCCN T7508 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.7 CCCCCCC(C)=O TN6693 [2,0,0,0,0,0|0,0,0]=2 29 B8R0.7 NCCCCCC(O)=O T0881 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.6 CCCCCC(O)CC TN1267 [2,0,0,0,0,0|0,0,2]=4 31 B10R0.4 C(CCCCC)CCC(C)C T29356 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.4 CC(=O)CCCCCCC=C T29489 [1,1,0,0,0,0|0,0,1]=3 33 B10R0.4 CCCCCCCCC(C)C T31326 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.4 CCCCCCCCC(O)=O T3947 [1,1,0,0,0,0|1,0,0]=3 35 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [1,1,0,0,0,0|1,0,1]=4 36 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,1,0,0,0,0|0,0,2]=4 37 B10R0.4 CCCCCCCOC(C)=O TN6701 [1,1,0,0,0,0|0,0,0]=2 38 B10R0.4 NCCCCCCCC(O)=O T8102 [1,1,0,0,0,0|1,0,0]=3 39 B10R0.6 CCCCCC(CC(O)=O)O T9719 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.75 CCCCCCC(N)C(O)=O T9493 [1,1,0,0,0,0|1,0,0]=3 41 B10R0.75 CCCCCCC(O)C(O)=O T7481 [1,1,0,0,0,0|1,0,0]=3 42 B10R0.78 CCCCC(C)CCC(O)=O T8089 [1,1,0,0,0,0|1,0,0]=3 43 B10R0.1 CCCCCCC(Cl)CCC T29433 [1,1,0,0,0,0|0,0,1]=3 44 B10R0.1 CCCCCC[C@H](C)CCC T31329 [1,1,0,0,0,0|0,0,1]=3 45 B10R0.1 CCCCCC[C@H](O)CCC T21104 [1,1,0,0,0,0|0,0,1]=3 46 B10R0.71 C(CCCCC)CCCCCl T21123 [1,1,0,0,0,0|0,0,1]=3 47 B10R0.71 C(CCCCC)CCCCO T21101 [1,1,0,0,0,0|0,0,1]=3 48 B10R0.71 C(CCCCC)CCCCO T30679 [1,1,0,0,0,0|0,0,1]=3 49 B10R0.71 CCCCCCCCCC#N T21184 [1,1,0,0,0,0|0,0,2]=4 50 B10R0.71 CCCCCCCCCC=O T8086 [1,1,0,0,0,0|0,0,2]=4 51 B10R0.71 CCCCCCCCCCBr T31355 [1,1,0,0,0,0|0,0,1]=3 52 B10R0.71 CCCCCCCCCCC TN2458 [1,1,0,0,0,0|0,0,1]=3 53 B10R0.71 CCCCCCCCCCCl T30897 [1,1,0,0,0,0|0,0,1]=3 54 B10R0.71 CCCCCCCCCCF T21116 [1,1,0,0,0,0|0,0,1]=3 55 B10R0.71 CCCCCCCCCCI T21125 [1,1,0,0,0,0|0,0,1]=3 56 B10R0.71 CCCCCCCCCCO T31347 [1,1,0,0,0,0|0,0,1]=3 57 B10R0.71 CCCCCSCCCCC T20315 [1,1,0,0,0,0|0,0,1]=3 58 B10R0.91 CCCCCC(=O)CCCC T29451 [1,1,0,0,0,0|0,0,2]=4 59 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [1,1,0,0,0,0|0,0,1]=3 60 B10R0.91 CCCCC[C@H](O)CCCC T31301 [1,1,0,0,0,0|0,0,1]=3 61 B10R0.83 NCCCC[C@H](N)C(=O)CCl T33052 [1,1,0,0,0,0|2,0,0]=4 62 B12R0.1 CCCCCCCCC(=O)OCC T19315 [0,2,0,0,0,0|0,0,0]=2 63 B12R0.277 CCOC(=O)CCCCCC(O)=O T18363 [0,2,0,0,0,0|1,0,1]=4 64 B12R0.248 CCCCCCCCCC(=O)NC T31309 [0,2,0,0,0,0|1,0,0]=3 65 B12R0.248 CCCCCCCCCC(=O)NN T31346 [0,2,0,0,0,0|2,0,0]=4 66 B12R0.248 CCCCCCCCCC(=O)NO T33614 [0,2,0,0,0,0|2,0,0]=4 67 B12R0.248 CCCCCCCCCC(=O)OC T33337 [0,2,0,0,0,0|1,0,0]=3 68 B12R0.248 COC(=O)CCOCCOCCO T15516 [0,2,0,0,0,0|2,0,0]=4 69 B12R0.237 CCCCCCC[C@@H](C)C(C)(C)C T31322 [0,2,0,0,0,0|1,0,1]=4 70 B12R0.237 CCCCCCOC(=O)C(C)(C)C T32073 [0,2,0,0,0,0|1,0,0]=3 71 B12R0.156 COC(=O)CCC[C@H](O)[C@H](O)CO T22526 [0,2,0,0,0,0|2,0,0]=4 72 B12R0.657 CCCCCC(C)(C)NC(=O)CN T26428 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.15 COC(=O)C1CCCCC1 T22366 [1,0,0,1,0,0|1,0,0]=3 74 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [0,1,0,1,0,0|1,0,0]=3 75 B12R1.32 CCOC(=O)CC1CCCCC1 T20380 [0,1,0,1,0,0|0,0,0]=2 76 B12R1.7 CCCC#CCC1CCC(=O)O1 TN5132 [0,1,0,1,0,0|0,0,2]=4 77 B12R1.7 CCCCCCC1CCC(=O)O1 T8078 [0,1,0,1,0,0|0,0,0]=2 78 B12R2.1081 OC1CCCC2CCCCC12 T31290 [0,0,0,2,0,0|0,0,2]=4 79 B12R2.1172 O[C@]12CCO[C@H]1CC(=O)CC2 TN2388 [0,0,0,2,0,0|2,0,0]=4