0 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 CC(=O)NCCCCCN T5222 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.2 CCCCC/C=C/C(O)=O T5261 [1,0,0,0,0,0|0,0,2]=3 4 B9R0.2 CCCCCCCC(C)=O T29360 [1,0,0,0,0,0|0,0,0]=1 5 B9R0.2 CCCCCCCC(C)O TN6692 [1,0,0,0,0,0|0,0,2]=3 6 B9R0.2 CCCCCCCC(O)=O T3946 [1,0,0,0,0,0|0,0,0]=1 7 B9R0.2 CCCCCNCC(N)=O T24465 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.2 CCCCCNCC(N)=O T50055 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.2 CNCCOCCC(O)=O T16047 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 COCCOCCC(O)=O T15841 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.2 NCCSSCCC(O)=O T14258 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.2 NOCCCCCC(O)=O T18489 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.2 OC(=O)CCCCCC#C T17345 [1,0,0,0,0,0|0,0,2]=3 14 B9R0.45 C=CCCCCCCCC T21040 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.45 CCCCCCCCCO TN6912 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.46 COC(=O)CCOCCO T15511 [1,0,0,0,0,0|2,0,0]=3 17 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,1,0,0,0,0|0,0,0]=1 18 B11R0.40 CCCCCCCCC(=C)C=O T31306 [0,1,0,0,0,0|3,0,0]=4 19 B11R0.40 CCCCCCCCC(=O)C=O T31307 [0,1,0,0,0,0|2,0,0]=3 20 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,1,0,0,0,0|0,0,0]=1 21 B11R0.40 COC(=O)CCOCCN=[N+]=[N-] T14409 [0,1,0,0,0,0|3,0,0]=4 22 B11R0.40 OCCOCCOCC(=O)O[Na] T15521L [0,1,0,0,0,0|3,0,0]=4 23 B11R0.42 CCCCCCCC(C)C(C)C T31332 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [0,0,0,1,0,0|2,0,0]=3 25 B11R1.40 CCC(=O)OC1CCCCC1 T29781 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.222 ON1CCCCC1C(=O)O[K] T19457 [0,0,0,1,0,0|3,0,0]=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|1,0,0]=3 30 B8R0.7 NCCOCCC(O)=O T14222 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.7 OC(=O)CCOCCBr T14783 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.7 OCCOCCC(O)=O T15510 [2,0,0,0,0,0|2,0,0]=4 33 B10R0.4 C(CCCCC)CCC(C)C T29356 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.4 CC(=O)CCCCCCC=C T29489 [1,1,0,0,0,0|0,0,1]=3 35 B10R0.4 CCCCCCCCC(C)C T31326 [1,1,0,0,0,0|1,0,1]=4 36 B10R0.4 CCCCCCCCC(O)=O T3947 [1,1,0,0,0,0|0,0,0]=2 37 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,1,0,0,0,0|0,0,2]=4 39 B10R0.4 CCCCCCCOC(C)=O TN6701 [1,1,0,0,0,0|0,0,0]=2 40 B10R0.4 NCCCCCCCC(O)=O T8102 [1,1,0,0,0,0|0,0,0]=2 41 B10R0.4 NCCOCCOCC(O)=O T15459 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.4 OCCOCCOCC(O)=O T15521 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.6 CCCCCC(CC(O)=O)O T9719 [1,1,0,0,0,0|0,0,0]=2 44 B10R0.22 OP(O)(=O)CCCCCCBr T14056 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.55 COC(=O)CCCCC(O)=O T33475 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.75 C(=O)([C@@H](N)CSCCCO)O T1481 [1,1,0,0,0,0|2,0,0]=4 47 B10R0.75 CCCCCCC(N)C(O)=O T9493 [1,1,0,0,0,0|0,0,0]=2 48 B10R0.75 CCCCCCC(O)C(O)=O T7481 [1,1,0,0,0,0|0,0,0]=2 49 B10R0.75 NCCCSC[C@H](N)C(O)=O T29988 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.75 NCCC[Se]C[C@H](N)C(O)=O T34606 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.75 N[C@@H](CCSCCO)C(O)=O T34636 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.78 CCCCC(C)CCC(O)=O T8089 [1,1,0,0,0,0|0,0,0]=2 53 B10R0.97 OC(=O)CCCCCC(O)=O T4795 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.1 CCCCCCC(Cl)CCC T29433 [1,1,0,0,0,0|1,0,1]=4 55 B10R0.1 CCCCCC[C@H](C)CCC T31329 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.1 CCCCCC[C@H](O)CCC T21104 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.71 C(CCCCC)CCCCCl T21123 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.71 C(CCCCC)CCCCO T21101 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.71 C(CCCCC)CCCCO T30679 [1,1,0,0,0,0|1,0,1]=4 60 B10R0.71 CCCCCCCCCCBr T31355 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.71 CCCCCCCCCCC TN2458 [1,1,0,0,0,0|1,0,1]=4 62 B10R0.71 CCCCCCCCCCCl T30897 [1,1,0,0,0,0|1,0,1]=4 63 B10R0.71 CCCCCCCCCCF T21116 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.71 CCCCCCCCCCI T21125 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.71 CCCCCCCCCCO T31347 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.71 CCCCCSCCCCC T20315 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.91 CCCCC[C@H](O)CCCC T31301 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.59 COC(=O)CCCC(=O)OC T20909 [1,1,0,0,0,0|1,0,1]=4 70 B12R0.1 CCCCCCCCC(=O)OCC T19315 [0,2,0,0,0,0|0,0,0]=2 71 B12R0.277 CCOC(=O)CCCCCC(O)=O T18363 [0,2,0,0,0,0|1,0,1]=4 72 B12R0.248 CCCCCCCCCC(=O)NC T31309 [0,2,0,0,0,0|1,0,0]=3 73 B12R0.248 CCCCCCCCCC(=O)NN T31346 [0,2,0,0,0,0|2,0,0]=4 74 B12R0.248 CCCCCCCCCC(=O)NO T33614 [0,2,0,0,0,0|2,0,0]=4 75 B12R0.248 CCCCCCCCCC(=O)OC T33337 [0,2,0,0,0,0|0,0,0]=2 76 B12R0.248 COC(=O)CCOCCOCCO T15516 [0,2,0,0,0,0|1,0,0]=3 77 B12R0.237 CCCCCCOC(=O)C(C)(C)C T32073 [0,2,0,0,0,0|2,0,0]=4 78 B12R0.156 COC(=O)CCC[C@H](O)[C@H](O)CO T22526 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.61 ON1CCCCC1C(O)=O T19458 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.15 COC(=O)C1CCCCC1 T22366 [1,0,0,1,0,0|0,0,0]=2 81 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [0,1,0,1,0,0|2,0,0]=4 82 B12R1.32 CCOC(=O)CC1CCCCC1 T20380 [0,1,0,1,0,0|0,0,0]=2 83 B12R1.37 CCCCCCCc1ccco1 T26381 [0,1,0,1,0,0|1,0,1]=4 84 B12R1.7 CCCCCCC1CCC(=O)O1 T8078 [0,1,0,1,0,0|1,0,0]=3