0 B11R0.3 BrCCCCCCCCCCBr T21133 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.3 CCCCCC/C=C/CCC=O T29255 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.3 CCCCCCCCCCC=O TN6898 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.3 CCCCCCCCCCCC TN6897 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.3 CCCCCCCCCCCO T7480 [0,0,0,0,0,0|0,0,0]=0 6 B11R0.3 CCCCCCCCCCOC T31321 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.3 COCCOCCOCCCO T15856 [0,0,0,0,0,0|3,0,0]=3 8 B11R0.3 FCCCCCCCCCCBr T31319 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.3 FCCCCCCCCCCCl T31320 [0,0,0,0,0,0|2,0,0]=2 10 B11R0.3 FCCCCCCCCCCF T31317 [0,0,0,0,0,0|2,0,0]=2 11 B11R0.3 ICCCCCCCCCCI T21134 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.3 N#CCCCCCCCCC#N T21149 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 OCCCCCCCCCC=C T22216 [0,0,0,0,0,0|0,0,2]=2 14 B11R0.3 OCCCCCCCCCCF T31348 [0,0,0,0,0,0|1,0,0]=1 15 B11R0.3 OCCCCCCCCCCO T21096 [0,0,0,0,0,0|1,0,0]=1 16 B11R0.3 SCCCCCCCCCCS T21143 [0,0,0,0,0,0|1,1,0]=2 17 B10R0.71 C(CCCCC)CCCCCl T21123 [1,0,0,0,0,0|1,0,0]=2 18 B10R0.71 C(CCCCC)CCCCO T21101 [1,0,0,0,0,0|0,0,0]=1 19 B10R0.71 C(CCCCC)CCCCO T30679 [1,0,0,0,0,0|0,0,0]=1 20 B10R0.71 CCCCCCCCCC#N T21184 [1,0,0,0,0,0|1,0,1]=3 21 B10R0.71 CCCCCCCCCC=O T8086 [1,0,0,0,0,0|0,0,2]=3 22 B10R0.71 CCCCCCCCCCBr T31355 [1,0,0,0,0,0|1,0,0]=2 23 B10R0.71 CCCCCCCCCCC TN2458 [1,0,0,0,0,0|0,0,0]=1 24 B10R0.71 CCCCCCCCCCCl T30897 [1,0,0,0,0,0|1,0,0]=2 25 B10R0.71 CCCCCCCCCCF T21116 [1,0,0,0,0,0|1,0,0]=2 26 B10R0.71 CCCCCCCCCCI T21125 [1,0,0,0,0,0|1,0,0]=2 27 B10R0.71 CCCCCCCCCCO T31347 [1,0,0,0,0,0|0,0,0]=1 28 B10R0.71 CCCCCSCCCCC T20315 [1,0,0,0,0,0|1,0,0]=2 29 B10R0.71 CNCCOCCOCCO T16457 [1,0,0,0,0,0|3,0,0]=4 30 B10R0.71 COCCOCCOCCO T15860 [1,0,0,0,0,0|3,0,0]=4 31 B10R0.71 OCCCCCCCCC#C T17346 [1,0,0,0,0,0|0,0,2]=3 32 B12R0.1 CCCCCCCCC(=O)OCC T19315 [0,1,0,0,0,0|2,0,1]=4 33 B12R0.5 C/C=C/C=C/CCCCCCCO T20516 [0,1,0,0,0,0|0,0,3]=4 34 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [0,1,0,0,0,0|0,0,3]=4 35 B12R0.5 CCCCCCCCCCCCO T9514 [0,1,0,0,0,0|0,0,0]=1 36 B12R0.5 CCCCCCCCCCN=C=S T21135 [0,1,0,0,0,0|0,1,1]=3 37 B12R0.5 CCCCCCCCCCOC=C T31314 [0,1,0,0,0,0|1,0,1]=3 38 B12R0.5 CCCCCCCCCCSC#N T31356 [0,1,0,0,0,0|1,0,1]=3 39 B12R0.5 NCCCNCCCNCCCN T7849 [0,1,0,0,0,0|3,0,0]=4 40 B12R0.5 NCCOCCOCCOCCO T14237 [0,1,0,0,0,0|3,0,0]=4 41 B12R0.5 OCCOCCNCCOCCO T16301 [0,1,0,0,0,0|3,0,0]=4 42 B12R0.5 OCCOCCOCCOCCBr T14773 [0,1,0,0,0,0|3,0,0]=4 43 B12R0.5 OCCOCCOCCOCCO T16662 [0,1,0,0,0,0|3,0,0]=4 44 B12R0.5 OCCOCCOCCOCCS T18839 [0,1,0,0,0,0|3,0,0]=4 45 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [0,1,0,0,0,0|0,0,3]=4 46 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,1,0,0,0,0|0,0,1]=2 47 B12R0.234 CCCCCCCCCCS(C)=O T29297 [0,1,0,0,0,0|1,0,1]=3 48 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [0,1,0,0,0,0|0,0,3]=4 49 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [0,1,0,0,0,0|1,0,1]=3 50 B12R0.248 CCCCCCCCCC(=O)NC T31309 [0,1,0,0,0,0|2,0,1]=4 51 B12R0.248 CCCCCCCCCC(=O)NN T31346 [0,1,0,0,0,0|2,0,1]=4 52 B12R0.248 CCCCCCCCCC(=O)NO T33614 [0,1,0,0,0,0|1,0,1]=3 53 B12R0.248 CCCCCCCCCC(=O)OC T33337 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.550 C1COCCOCCOCCO1 T19730 [0,0,0,1,0,0|3,0,0]=4 55 B9R0.45 C=CCCCCCCCC T21040 [2,0,0,0,0,0|0,0,2]=4 56 B9R0.45 CCCC/C=C\CCCC T31276 [2,0,0,0,0,0|0,0,2]=4 57 B9R0.45 CCCCCCCCCO TN6912 [2,0,0,0,0,0|0,0,0]=2 58 B11R0.4 CCCCCCCC(OCC)=O TN6743 [1,1,0,0,0,0|1,0,1]=4 59 B11R0.40 CCCCCCCCC(=O)OC TN6918 [1,1,0,0,0,0|1,0,1]=4 60 B11R0.40 CCCCCCCCC(C)C#N T21189 [1,1,0,0,0,0|1,0,1]=4 61 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [1,1,0,0,0,0|0,0,2]=4 62 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [1,1,0,0,0,0|0,0,0]=2 63 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [1,1,0,0,0,0|0,0,2]=4 64 B11R0.81 CCCCCOC(=O)CCCC T20310 [1,1,0,0,0,0|1,0,1]=4 65 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [1,1,0,0,0,0|1,0,1]=4 66 B11R0.148 CCCCCCCCCC(C)=O T8017 [1,1,0,0,0,0|0,0,1]=3 67 B11R0.148 CCCCCCCCCC(C)O T22221 [1,1,0,0,0,0|0,0,0]=2 68 B11R0.148 CCCCCCCCCC(F)=O T31304 [1,1,0,0,0,0|0,0,2]=4 69 B11R0.148 CCCCCCCCCC(N)=O T31308 [1,1,0,0,0,0|0,0,2]=4 70 B11R0.148 CCCCCCCCCC(O)=O T30126 [1,1,0,0,0,0|0,0,1]=3 71 B11R0.148 CCCCCCCCCC(O)=O T33472 [1,1,0,0,0,0|0,0,1]=3 72 B11R0.148 CCCCCCCCCC(O)=O T33485 [1,1,0,0,0,0|0,0,1]=3 73 B11R0.148 CCCCCCCCCC(O)=O T3379 [1,1,0,0,0,0|0,0,1]=3 74 B11R0.148 CCCCCCCCCC(O)=O T34161 [1,1,0,0,0,0|0,0,1]=3 75 B11R0.148 CCCCCCCCCC([O-])=O T21240 [1,1,0,0,0,0|0,0,2]=4 76 B11R0.148 CCCCCCCCCC([O-])=O T30689 [1,1,0,0,0,0|0,0,2]=4 77 B11R0.148 CCCCCCCCCC([O-])=O T30994 [1,1,0,0,0,0|0,0,2]=4 78 B11R0.148 CCCCCCCCCC([O-])=O T31345 [1,1,0,0,0,0|0,0,2]=4 79 B11R0.148 CCCCCCCCCC([O-])=O T33164 [1,1,0,0,0,0|0,0,2]=4 80 B11R0.148 CCCCCCCCCC([O-])=O T34116 [1,1,0,0,0,0|0,0,2]=4 81 B11R0.148 CCCCCCCCCC([O-])=O T35308 [1,1,0,0,0,0|0,0,2]=4 82 B11R0.148 CCCCCCCCOC(C)=O T5667 [1,1,0,0,0,0|1,0,1]=4 83 B13R0.2 CCCCCCCCCC(=O)OCC T31708 [0,2,0,0,0,0|1,0,1]=4 84 B13R0.54 CCCCCC/C=C\CCCC(O)=O T8240 [0,2,0,0,0,0|0,0,2]=4 85 B13R0.54 CCCCCCCCCCCC(C)=O T9502 [0,2,0,0,0,0|0,0,1]=3 86 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [0,2,0,0,0,0|0,0,0]=2 87 B13R0.54 CCCCCCCCCCCC([O-])=O T30004 [0,2,0,0,0,0|0,0,1]=3 88 B13R0.54 NCCCCCCCCCCC(O)=O T17323 [0,2,0,0,0,0|0,0,1]=3 89 B13R0.54 OOCCCCCCCCCC(O)=O T33476 [0,2,0,0,0,0|1,0,1]=4 90 B13R0.147 CCCCCCCCCCC(=O)OC T9505 [0,2,0,0,0,0|0,0,1]=3 91 B13R0.165 CCCCOCC(O)COCCCC T31428 [0,2,0,0,0,0|2,0,0]=4 92 B13R0.336 CCCCCCCCCCCCCC TN6959 [0,2,0,0,0,0|1,0,0]=3 93 B13R0.336 CNCCOCCOCCOCCO T15532 [0,2,0,0,0,0|2,0,0]=4 94 B13R0.336 COCCOCCOCCOCCO T17054 [0,2,0,0,0,0|2,0,0]=4 95 B13R0.336 N#CCCCCCCCCCCC#N T21100 [0,2,0,0,0,0|1,0,1]=4 96 B13R0.336 NCCCCCCCCCCCCN T20478 [0,2,0,0,0,0|1,0,0]=3 97 B13R0.336 NCCCNCCCCNCCCN T3007 [0,2,0,0,0,0|2,0,0]=4 98 B13R0.336 NCCCNCCCCNCCCN T3093 [0,2,0,0,0,0|2,0,0]=4 99 B13R0.338 CCCCCCOC(=O)CCCCC T5599 [0,2,0,0,0,0|1,0,1]=4 100 B13R0.280 CCCCCCCCCCP(O)(O)=O T21191 [0,2,0,0,0,0|1,0,0]=3 101 B13R0.280 CCCCCCCCCCS(O)(=O)=O T31358 [0,2,0,0,0,0|1,0,0]=3 102 B13R0.201 OCC(O)CCCCCCC(O)CO T31333 [0,2,0,0,0,0|1,0,0]=3 103 B13R0.412 CCCCCCCCCC(CC)C=O T29346 [0,2,0,0,0,0|1,0,0]=3 104 B13R0.412 CCCCCCCCCC(OC)OC T31302 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.28 NCCCNC1CCCCC1 T35878 [1,0,0,1,0,0|2,0,0]=4 106 B13R1.6 CCCCCCC1OCCC(C)O1 T29277 [0,1,0,1,0,0|1,0,0]=3 107 B13R1.28 OCCOCCOC1CCCCO1 T17058 [0,1,0,1,0,0|2,0,0]=4 108 B13R1.27 CCCCCCCC1CCC(O1)=O TN6744 [0,1,0,1,0,0|0,0,1]=3 109 B13R1.9 CCCCCCC1OCC(O)CO1 T32060 [0,1,0,1,0,0|1,0,0]=3 110 B13R2.3 C1CCC(CC1)C2CCCCC2 T30445 [0,0,0,2,0,0|1,0,0]=3 111 B13R2.1613 OC[C@@H]1CCCN2CCCC[C@H]12 Fr16605L [0,0,0,2,0,0|1,0,0]=3 112 B13R2.1613 [C@@H]12CCCCN1CCC[C@@H]2CO T32973 [0,0,0,2,0,0|1,0,0]=3 113 B13R2.1613 [C@H]12CCCCN1CCC[C@H]2CO Fr16605 [0,0,0,2,0,0|1,0,0]=3 114 B13R2.7258 OOC12CCCCC1CCCC2 T31294 [0,0,0,2,0,0|1,0,0]=3 115 B13R2.2290 C(CCC[C@@H]1CO1)CC[C@H]2CO2 T31318 [0,0,0,2,0,0|1,0,0]=3