0 B13R0.2 CCCCCCCCCC(=O)OCCl D93248 [0,0,0,0,0,0|1,0,0]=1 1 B13R0.2 CCCCCCCCOC(=O)CC#N 78316 [0,0,0,0,0,0|3,0,1]=4 2 B13R0.2 CCCCCCCCOC(=O)CCC D95731 [0,0,0,0,0,0|2,0,0]=2 3 B13R0.2 CCOC(=O)CCCCCCCCBr T70716 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.1 CCCCCCCCC(=O)OCC D70268 [1,0,0,0,0,0|0,0,0]=1 5 B12R0.1 CCOC(=O)CCCCCCCBr 36210 [1,0,0,0,0,0|1,0,0]=2 6 B12R0.5 CCCCCCCCCCCCI S12219 [1,0,0,0,0,0|2,0,1]=4 7 B12R0.5 CCCCCCCCCCCCN D89752 [1,0,0,0,0,0|2,0,1]=4 8 B12R0.5 CCCCCCNCCCCCC D77803 [1,0,0,0,0,0|2,0,1]=4 9 B12R0.5 CCCCCCSCCCCCC D90851 [1,0,0,0,0,0|2,0,1]=4 10 B12R0.248 C=CCCCCCCCC(=O)OC A11197 [1,0,0,0,0,0|0,0,2]=3 11 B12R0.248 CCCCCCCCOC(=O)CN C10282 [1,0,0,0,0,0|2,0,0]=3 12 B12R0.248 CCCCCCCCOC(=O)CS D92371 [1,0,0,0,0,0|2,0,0]=3 13 B12R0.248 COC(=O)CCCCCCCCO S10650 [1,0,0,0,0,0|1,0,0]=2 14 B14R0.1 CCOC(=O)CCCCCC(=O)OCC D92071 [0,1,0,0,0,0|1,0,1]=3 15 B14R0.393 CCCCCCCCCCC(=O)OCC 78222 [0,1,0,0,0,0|0,0,0]=1 16 B14R0.393 CCOC(=O)CCCCCCCCCBr T71050 [0,1,0,0,0,0|0,0,0]=1 17 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 D70226 [0,0,0,1,0,0|2,0,0]=3 18 B11R0.3 CCCCCCCCCCCCl D89276 [2,0,0,0,0,0|1,0,1]=4 19 B11R0.3 CCCCCCCCCCCN D88318 [2,0,0,0,0,0|1,0,1]=4 20 B11R0.3 CCCCCCCCCCCO C14193 [2,0,0,0,0,0|1,0,1]=4 21 B11R0.3 CCNCCCCCCNCC D89829 [2,0,0,0,0,0|2,0,0]=4 22 B11R0.4 C=COC(=O)CCCCCCC D84790 [2,0,0,0,0,0|0,0,2]=4 23 B11R0.4 CCOC(=O)CCCCCCBr F11933 [2,0,0,0,0,0|1,0,0]=3 24 B11R0.4 CCOC(=O)CCCCCCN 34353 [2,0,0,0,0,0|1,0,0]=3 25 B11R0.40 CCCCCCC#CC(=O)OC D91742 [2,0,0,0,0,0|0,0,2]=4 26 B11R0.40 CCCCCCCCC(=O)OC D91668 [2,0,0,0,0,0|0,0,0]=2 27 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [2,0,0,0,0,0|0,0,2]=4 28 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [2,0,0,0,0,0|0,0,2]=4 29 B11R0.148 C=CCCCCCCCC(=O)O N12000 [2,0,0,0,0,0|0,0,2]=4 30 B11R0.148 CCCCCCCCCC(=O)O D70225 [2,0,0,0,0,0|0,0,0]=2 31 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [2,0,0,0,0,0|0,0,1]=3 32 B11R0.148 CCCCCCCCCC(C)=O F17694 [2,0,0,0,0,0|0,0,0]=2 33 B11R0.148 CCCCCCCCCC(C)C C11011 [2,0,0,0,0,0|1,0,1]=4 34 B11R0.148 CCCCCCCCCC(N)=O D89393 [2,0,0,0,0,0|1,0,0]=3 35 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [2,0,0,0,0,0|0,0,0]=2 36 B11R0.148 CCCCCCCCC[C@H](C)O D92751 [2,0,0,0,0,0|0,0,2]=4 37 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [2,0,0,0,0,0|2,0,0]=4 38 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [2,0,0,0,0,0|0,0,2]=4 39 B11R0.148 CCCCOCCOCC(=O)O W16397 [2,0,0,0,0,0|2,0,0]=4 40 B11R0.148 O=C(O)CCCCCCCCBr 54506 [2,0,0,0,0,0|1,0,0]=3 41 B11R0.148 O=C(O)CCCCCCCCO 29995 [2,0,0,0,0,0|1,0,0]=3 42 B13R0.367 CCOC(=O)CCCC[C@H](Cl)CCCl O11809 [1,1,0,0,0,0|1,0,0]=3 43 B13R0.54 CCCCCCCCCCC[C@H](C)O D92373 [1,1,0,0,0,0|1,0,1]=4 44 B13R0.54 CCCCCCCCCCOC(C)=O D88427 [1,1,0,0,0,0|0,0,2]=4 45 B13R0.165 CCCCCCC(O)CCCCCC D93272 [1,1,0,0,0,0|1,0,1]=4 46 B13R0.336 CCCCCCCCCCCCCBr H10622 [1,1,0,0,0,0|1,0,1]=4 47 B13R0.336 CCCCCCCCCCCCCCl T71361 [1,1,0,0,0,0|1,0,1]=4 48 B13R0.336 CCCCCCCCCCCCCN D88319 [1,1,0,0,0,0|1,0,1]=4 49 B13R0.336 CCCCCCCCCCCCCO H10847 [1,1,0,0,0,0|1,0,1]=4 50 B13R0.336 CCCCCCCCCCCCSC D90223 [1,1,0,0,0,0|1,0,1]=4 51 B13R0.150 CCCCCCCCCC(=O)N(C)C I11514 [1,1,0,0,0,0|1,0,0]=3 52 B13R0.202 COC(=O)CCCCCCCC(=O)O S10607 [1,1,0,0,0,0|1,0,1]=4 53 B15R0.408 CCOC(=O)CCCCCCC(=O)OCC D92257 [0,2,0,0,0,0|0,0,1]=3 54 B15R0.366 CCCCCCCCCCCC(=O)OCC D70267 [0,2,0,0,0,0|0,0,0]=2 55 B15R0.88 CCCCCCCCCC(=O)OCC(C)C D89580 [0,2,0,0,0,0|0,0,0]=2 56 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 D70227 [1,0,0,1,0,0|2,0,0]=4 57 B13R1.42 CCOC(=O)CCC1CCCCC1 A10912 [1,0,0,1,0,0|0,0,0]=2 58 B13R1.42 CCOC(=O)CCN1CCNCC1 F15164 [1,0,0,1,0,0|2,0,0]=4 59 B13R1.279 O=C1CCCCCCCCCCC1 D97449 [1,0,0,1,0,0|1,0,0]=3 60 B13R1.463 CCOC(=O)[C@@H]1CCCCCC1=O FD9024 [1,0,0,1,0,0|1,0,1]=4 61 B13R1.1575 CCOC(=O)C=C1CCCCCC1 20663 [1,0,0,1,0,0|0,0,2]=4 62 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 D70490 [1,0,0,1,0,0|1,0,0]=3 63 B13R1.718 O=C(CCl)NCCC1CCCCC1 W15944 [1,0,0,1,0,0|2,0,0]=4 64 B15R2.76 CCOC(=O)[C@H]1CCCC12OCCO2 60041 [0,0,0,2,0,0|2,0,0]=4