0 B11R0.3 BrCCCCCCCCCCBr T21133 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.3 CCCCCCCCCCC=O TN6898 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.3 CCCCCCCCCCCC TN6897 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.3 CCCCCCCCCCCO T7480 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.3 CCCCCCCCCCOC T31321 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.3 FCCCCCCCCCCBr T31319 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.3 FCCCCCCCCCCCl T31320 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.3 FCCCCCCCCCCF T31317 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.3 ICCCCCCCCCCI T21134 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.3 OCCCCCCCCCC=C T22216 [0,0,0,0,0,0|0,0,4]=4 11 B11R0.3 OCCCCCCCCCCF T31348 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.3 OCCCCCCCCCCO T21096 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.3 SCCCCCCCCCCS T21143 [0,0,0,0,0,0|1,1,2]=4 14 B10R0.71 C(CCCCC)CCCCCl T21123 [1,0,0,0,0,0|1,0,1]=3 15 B10R0.71 C(CCCCC)CCCCO T21101 [1,0,0,0,0,0|0,0,1]=2 16 B10R0.71 C(CCCCC)CCCCO T30679 [1,0,0,0,0,0|0,0,1]=2 17 B10R0.71 CCCCCCCCCC#N T21184 [1,0,0,0,0,0|1,0,2]=4 18 B10R0.71 CCCCCCCCCC=O T8086 [1,0,0,0,0,0|0,0,2]=3 19 B10R0.71 CCCCCCCCCCBr T31355 [1,0,0,0,0,0|1,0,1]=3 20 B10R0.71 CCCCCCCCCCC TN2458 [1,0,0,0,0,0|0,0,2]=3 21 B10R0.71 CCCCCCCCCCCl T30897 [1,0,0,0,0,0|1,0,1]=3 22 B10R0.71 CCCCCCCCCCF T21116 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.71 CCCCCCCCCCI T21125 [1,0,0,0,0,0|1,0,1]=3 24 B10R0.71 CCCCCCCCCCO T31347 [1,0,0,0,0,0|0,0,1]=2 25 B10R0.71 CCCCCSCCCCC T20315 [1,0,0,0,0,0|1,0,2]=4 26 B10R0.71 OCCCCCCCCC#C T17346 [1,0,0,0,0,0|0,0,3]=4 27 B12R0.1 CCCCCCCCC(=O)OCC T19315 [0,1,0,0,0,0|2,0,0]=3 28 B12R0.5 C/C=C/C=C/CCCCCCCO T20516 [0,1,0,0,0,0|1,0,2]=4 29 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [0,1,0,0,0,0|0,0,2]=3 30 B12R0.5 CCCCCCCCCCCCO T9514 [0,1,0,0,0,0|0,0,2]=3 31 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [0,1,0,0,0,0|0,0,1]=2 32 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,1,0,0,0,0|0,0,3]=4 33 B12R0.234 OCCCCCCC/C=C/C(O)=O T3250 [0,1,0,0,0,0|1,0,1]=3 34 B12R0.248 CCCCCCCCCC(=O)NC T31309 [0,1,0,0,0,0|2,0,1]=4 35 B12R0.248 CCCCCCCCCC(=O)NN T31346 [0,1,0,0,0,0|2,0,1]=4 36 B12R0.248 CCCCCCCCCC(=O)NO T33614 [0,1,0,0,0,0|1,0,1]=3 37 B12R0.248 CCCCCCCCCC(=O)OC T33337 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.37 CCCCCCCc1ccco1 T26381 [0,0,0,1,0,0|0,0,2]=3 39 B9R0.45 C=CCCCCCCCC T21040 [2,0,0,0,0,0|0,0,0]=2 40 B9R0.45 CCCCCCCCCO TN6912 [2,0,0,0,0,0|0,0,0]=2 41 B11R0.4 CCCCCCCC(OCC)=O TN6743 [1,1,0,0,0,0|2,0,0]=4 42 B11R0.40 CCCCCCCCC(=C)C=O T31306 [1,1,0,0,0,0|0,0,1]=3 43 B11R0.40 CCCCCCCCC(=O)C=O T31307 [1,1,0,0,0,0|0,0,1]=3 44 B11R0.40 CCCCCCCCC(=O)OC TN6918 [1,1,0,0,0,0|1,0,0]=3 45 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [1,1,0,0,0,0|0,0,2]=4 46 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [1,1,0,0,0,0|0,0,1]=3 47 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [1,1,0,0,0,0|0,0,2]=4 48 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [1,1,0,0,0,0|0,0,1]=3 50 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [1,1,0,0,0,0|0,0,1]=3 51 B11R0.148 CCCCCCCCCC(C)=O T8017 [1,1,0,0,0,0|0,0,1]=3 52 B11R0.148 CCCCCCCCCC(C)O T22221 [1,1,0,0,0,0|0,0,1]=3 53 B11R0.148 CCCCCCCCCC(F)=O T31304 [1,1,0,0,0,0|0,0,2]=4 54 B11R0.148 CCCCCCCCCC(N)=O T31308 [1,1,0,0,0,0|0,0,2]=4 55 B11R0.148 CCCCCCCCCC(O)=O T30126 [1,1,0,0,0,0|0,0,1]=3 56 B11R0.148 CCCCCCCCCC(O)=O T33472 [1,1,0,0,0,0|0,0,1]=3 57 B11R0.148 CCCCCCCCCC(O)=O T33485 [1,1,0,0,0,0|0,0,1]=3 58 B11R0.148 CCCCCCCCCC(O)=O T3379 [1,1,0,0,0,0|0,0,1]=3 59 B11R0.148 CCCCCCCCCC(O)=O T34161 [1,1,0,0,0,0|0,0,1]=3 60 B11R0.148 CCCCCCCCCC([O-])=O T21240 [1,1,0,0,0,0|0,0,2]=4 61 B11R0.148 CCCCCCCCCC([O-])=O T30689 [1,1,0,0,0,0|0,0,2]=4 62 B11R0.148 CCCCCCCCCC([O-])=O T30994 [1,1,0,0,0,0|0,0,2]=4 63 B11R0.148 CCCCCCCCCC([O-])=O T31345 [1,1,0,0,0,0|0,0,2]=4 64 B11R0.148 CCCCCCCCCC([O-])=O T33164 [1,1,0,0,0,0|0,0,2]=4 65 B11R0.148 CCCCCCCCCC([O-])=O T34116 [1,1,0,0,0,0|0,0,2]=4 66 B11R0.148 CCCCCCCCCC([O-])=O T35308 [1,1,0,0,0,0|0,0,2]=4 67 B11R0.148 CCCCCCCCOC(C)=O T5667 [1,1,0,0,0,0|1,0,0]=3 68 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [1,1,0,0,0,0|0,0,1]=3 69 B13R0.2 CCCCCCCCCC(=O)OCC T31708 [0,2,0,0,0,0|1,0,1]=4 70 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [0,2,0,0,0,0|0,0,2]=4 71 B13R1.27 CCCCCCCC1CCC(O1)=O TN6744 [0,1,0,1,0,0|2,0,0]=4