0 B10R0.71 C(CCCCC)CCCCCl T21123 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.71 C(CCCCC)CCCCO T21101 [0,0,0,0,0,0|1,1,0]=2 2 B10R0.71 C(CCCCC)CCCCO T30679 [0,0,0,0,0,0|1,1,0]=2 3 B10R0.71 CCCCCCCCCC#N T21184 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.71 CCCCCCCCCC=O T8086 [0,0,0,0,0,0|1,1,1]=3 5 B10R0.71 CCCCCCCCCCBr T31355 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.71 CCCCCCCCCCC TN2458 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.71 CCCCCCCCCCCl T30897 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.71 CCCCCCCCCCF T21116 [0,0,0,0,0,0|2,0,0]=2 9 B10R0.71 CCCCCCCCCCI T21125 [0,0,0,0,0,0|2,0,0]=2 10 B10R0.71 CCCCCCCCCCO T31347 [0,0,0,0,0,0|1,1,0]=2 11 B10R0.71 CCCCCSCCCCC T20315 [0,0,0,0,0,0|3,0,0]=3 12 B10R0.71 COCCOCCOCCS T18184 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.71 OCCCCCCCCC#C T17346 [0,0,0,0,0,0|1,1,1]=3 14 B9R0.45 C=CCCCCCCCC T21040 [1,0,0,0,0,0|1,0,1]=3 15 B9R0.45 CCCC/C=C\CCCC T31276 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.45 CCCCCCCCCO TN6912 [1,0,0,0,0,0|0,1,0]=2 17 B9R0.45 NCCCCNCCCN T4893 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.45 NCCCCNCCCN T5080 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.45 OCCOCCOCCS T20973 [1,0,0,0,0,0|2,1,0]=4 20 B11R0.3 BrCCCCCCCCCCBr T21133 [0,1,0,0,0,0|2,0,0]=3 21 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [0,1,0,0,0,0|2,0,0]=3 22 B11R0.3 CCCCCCCCCCC=O TN6898 [0,1,0,0,0,0|1,1,0]=3 23 B11R0.3 CCCCCCCCCCCC TN6897 [0,1,0,0,0,0|2,0,0]=3 24 B11R0.3 CCCCCCCCCCCO T7480 [0,1,0,0,0,0|1,1,0]=3 25 B11R0.3 CCCCCCCCCCOC T31321 [0,1,0,0,0,0|1,1,0]=3 26 B11R0.3 FCCCCCCCCCCBr T31319 [0,1,0,0,0,0|2,0,0]=3 27 B11R0.3 FCCCCCCCCCCCl T31320 [0,1,0,0,0,0|2,0,0]=3 28 B11R0.3 FCCCCCCCCCCF T31317 [0,1,0,0,0,0|2,0,0]=3 29 B11R0.3 ICCCCCCCCCCI T21134 [0,1,0,0,0,0|2,0,0]=3 30 B11R0.3 N#CCCCCCCCCC#N T21149 [0,1,0,0,0,0|2,0,1]=4 31 B11R0.3 OCCCCCCCCCC=C T22216 [0,1,0,0,0,0|1,1,0]=3 32 B11R0.3 OCCCCCCCCCCF T31348 [0,1,0,0,0,0|1,1,0]=3 33 B11R0.3 OCCCCCCCCCCO T21096 [0,1,0,0,0,0|0,2,0]=3 34 B11R0.3 SCCCCCCCCCCS T21143 [0,1,0,0,0,0|0,0,0]=1 35 B11R0.40 CCCCCCCCC(C)C#N T21189 [0,1,0,0,0,0|2,0,1]=4 36 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [0,1,0,0,0,0|1,1,1]=4 37 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,1,0,0,0,0|1,1,0]=3 38 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [0,1,0,0,0,0|1,1,1]=4 39 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [0,1,0,0,0,0|2,0,1]=4 40 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,1,0,0,0,0|1,1,1]=4 41 B11R0.148 CCCCCCCCCC(C)O T22221 [0,1,0,0,0,0|1,1,0]=3 42 B11R0.148 CCCCCCCCCC(F)=O T31304 [0,1,0,0,0,0|1,1,1]=4 43 B11R0.148 CCCCCCCCCC(N)=O T31308 [0,1,0,0,0,0|1,1,1]=4 44 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,1,0,0,0,0|1,1,1]=4 45 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,1,0,0,0,0|1,1,1]=4 46 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,1,0,0,0,0|1,1,1]=4 47 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,1,0,0,0,0|1,1,1]=4 48 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,1,0,0,0,0|1,1,1]=4 49 B11R0.148 CCCCCCCCCC([O-])=O T21240 [0,1,0,0,0,0|1,1,1]=4 50 B11R0.148 CCCCCCCCCC([O-])=O T30689 [0,1,0,0,0,0|1,1,1]=4 51 B11R0.148 CCCCCCCCCC([O-])=O T30994 [0,1,0,0,0,0|1,1,1]=4 52 B11R0.148 CCCCCCCCCC([O-])=O T31345 [0,1,0,0,0,0|1,1,1]=4 53 B11R0.148 CCCCCCCCCC([O-])=O T33164 [0,1,0,0,0,0|1,1,1]=4 54 B11R0.148 CCCCCCCCCC([O-])=O T34116 [0,1,0,0,0,0|1,1,1]=4 55 B11R0.148 CCCCCCCCCC([O-])=O T35308 [0,1,0,0,0,0|1,1,1]=4 56 B11R1.28 NCCCNC1CCCCC1 T35878 [0,0,0,1,0,0|3,0,0]=4 57 B8R0.4 NCCCCCCCN T7998 [2,0,0,0,0,0|2,0,0]=4 58 B10R0.1 CCCCCCC(Cl)CCC T29433 [1,1,0,0,0,0|1,0,0]=3 59 B10R0.1 CCCCCC[C@H](C)CCC T31329 [1,1,0,0,0,0|1,0,0]=3 60 B10R0.1 CCCCCC[C@H](O)CCC T21104 [1,1,0,0,0,0|1,0,0]=3 61 B10R0.4 C(CCCCC)CCC(C)C T29356 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.4 CCCCCCCCC(C)C T31326 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.4 CCCCCCCCC(O)=O T3947 [1,1,0,0,0,0|0,1,1]=4 64 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,1,0,0,0,0|0,1,0]=3 66 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.91 CCCCCC(=O)CCCC T29451 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [1,1,0,0,0,0|1,0,0]=3 69 B10R0.91 CCCCC[C@H](O)CCCC T31301 [1,1,0,0,0,0|1,0,0]=3 70 B12R0.5 CCCCCCCCCCCCO T9514 [0,2,0,0,0,0|1,1,0]=4 71 B12R0.5 CCCCCCCCCCN=C=S T21135 [0,2,0,0,0,0|1,0,1]=4 72 B12R0.5 CCCCCCCCCCOC=C T31314 [0,2,0,0,0,0|1,1,0]=4 73 B12R0.5 CCCCCCCCCCSC#N T31356 [0,2,0,0,0,0|1,0,0]=3 74 B12R0.5 NCCCNCCCNCCCN T7849 [0,2,0,0,0,0|2,0,0]=4 75 B12R0.5 NCCOCCOCCOCCS T18024 [0,2,0,0,0,0|2,0,0]=4 76 B12R0.5 OCCOCCOCCOCCS T18839 [0,2,0,0,0,0|1,1,0]=4 77 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,2,0,0,0,0|1,1,0]=4 78 B12R0.234 CCCCCCCCCCS(C)=O T29297 [0,2,0,0,0,0|1,0,1]=4 79 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [0,2,0,0,0,0|0,2,0]=4 80 B12R2.1081 OC1CCCC2CCCCC12 T31290 [0,0,0,2,0,0|1,1,0]=4