0 B15R0.366 CCCCCCCCCCCC(=O)OCC A11188 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.337 CCCCCCCCCCCC(=O)NN B25151 [1,0,0,0,0,0|2,0,0]=3 2 B14R0.337 CCCCCCCCCCCC(=O)OC A12492 [1,0,0,0,0,0|0,0,0]=1 3 B14R0.392 CCCCCCCCCCCCCCBr A16082 [1,0,0,0,0,0|2,0,1]=4 4 B14R0.392 CCCCCCCCCCCCCCC A10336 [1,0,0,0,0,0|1,0,1]=3 5 B14R0.392 CCCCCCCCCCCCCCO A19638 [1,0,0,0,0,0|2,0,1]=4 6 B14R0.392 CCCCCCCCCCCCCCS L09401 [1,0,0,0,0,0|2,0,1]=4 7 B14R0.392 CCCCCCCCCCCCCC[Zn+] H58665 [1,0,0,0,0,0|2,0,1]=4 8 B14R0.392 CCCCCCCCOCCCCCC B20576 [1,0,0,0,0,0|2,0,1]=4 9 B14R0.393 CCCCCCCCCCC(=O)OCC B23416 [1,0,0,0,0,0|0,0,0]=1 10 B16R0.61 CCCCCCCCCCCCC(=O)OCC B25242 [0,1,0,0,0,0|0,0,0]=1 11 B16R0.661 CCCCCCCCCCCC(=O)CCCC B24881 [0,1,0,0,0,0|1,0,0]=2 12 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 B24794 [0,0,0,1,0,0|2,0,0]=3 13 B16R1.8816 C1CCCCCCCC(=O)CCCCCC1 A17652 [0,0,0,1,0,0|1,0,0]=2 14 B16R1.8816 C1CCCCCCCC(CCCCCC1)O A18888 [0,0,0,1,0,0|1,0,2]=4 15 B13R0.54 CCCCCCCCCCCC(=O)C A19042 [2,0,0,0,0,0|0,0,0]=2 16 B13R0.54 CCCCCCCCCCCC(=O)Cl A13294 [2,0,0,0,0,0|1,0,0]=3 17 B13R0.54 CCCCCCCCCCCC(=O)O 42038 [2,0,0,0,0,0|0,0,0]=2 18 B13R0.54 CCCCCCCCCCCC(=O)O A11672 [2,0,0,0,0,0|0,0,0]=2 19 B13R0.54 CCCCCCCCCCCC(=O)[O-] 71130 [2,0,0,0,0,0|0,0,1]=3 20 B13R0.54 CCCCCCCCCCCC(C)O L01926 [2,0,0,0,0,0|0,0,2]=4 21 B13R0.54 CCCCCCCCCCOC(=O)C A18814 [2,0,0,0,0,0|1,0,0]=3 22 B13R0.147 CCCCCCCCCCC(=O)OC L05939 [2,0,0,0,0,0|0,0,0]=2 23 B13R0.147 COC(=O)CCCCCCCCC#C H53453 [2,0,0,0,0,0|0,0,2]=4 24 B13R0.336 CCCCCCCCCCCCCC 30809 [2,0,0,0,0,0|0,0,1]=3 25 B13R0.336 CCCCCCCCCCCCCC A14672 [2,0,0,0,0,0|0,0,1]=3 26 B13R0.336 CCCCCCCCCCCCNC L07025 [2,0,0,0,0,0|1,0,1]=4 27 B13R0.336 CCCCCCCCCCCCSC 14877 [2,0,0,0,0,0|0,1,1]=4 28 B13R0.336 CCCCCCCCNCCCCC L18869 [2,0,0,0,0,0|1,0,1]=4 29 B13R0.2 CCCCCCCCCC(=O)CCC B24721 [2,0,0,0,0,0|1,0,0]=3 30 B13R0.2 CCCCCCCCCC(=O)OC=C H29081 [2,0,0,0,0,0|0,0,2]=4 31 B13R0.2 CCCCCCCCCC(=O)OCC A10657 [2,0,0,0,0,0|0,0,0]=2 32 B13R0.2 CCCCCCCCOC(=O)CCC B24978 [2,0,0,0,0,0|2,0,0]=4 33 B13R0.2 CCCCCCC\C=C\C(=O)OCC A18718 [2,0,0,0,0,0|0,0,2]=4 34 B13R0.2 CCCCC\C=C\CCC(=O)OCC A19364 [2,0,0,0,0,0|0,0,2]=4 35 B15R0.172 COC(=O)CCCCCCCCC(=O)OC L15805 [1,1,0,0,0,0|1,0,1]=4 36 B15R0.70 CCCCCCCCCCCCCCCBr L07618 [1,1,0,0,0,0|1,0,1]=4 37 B15R0.70 CCCCCCCCCCCCCCCC 43283 [1,1,0,0,0,0|1,0,1]=4 38 B15R0.70 CCCCCCCCCCCCCCCC 44511 [1,1,0,0,0,0|1,0,1]=4 39 B15R0.70 CCCCCCCCCCCCCCCC A10322 [1,1,0,0,0,0|1,0,1]=4 40 B15R0.70 CCCCCCCCCCCCCCCO L03673 [1,1,0,0,0,0|1,0,1]=4 41 B15R0.70 CCCCCCCCNCCCCCCC L18870 [1,1,0,0,0,0|1,0,1]=4 42 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O L04134 [1,1,0,0,0,0|1,0,1]=4 43 B15R0.408 CCOC(=O)CCCCCCC(=O)OCC A14735 [1,1,0,0,0,0|1,0,1]=4 44 B17R0.250 CCCCCCCCCCCCCC(=O)CCC B24932 [0,2,0,0,0,0|1,0,0]=3 45 B17R0.250 CCCCCCCCCCCCCC(=O)OCC A11646 [0,2,0,0,0,0|0,0,0]=2 46 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC A18113 [0,2,0,0,0,0|1,0,0]=3 47 B17R0.192 CCCCCCCCCCCC(=O)OCC(C)C 42023 [0,2,0,0,0,0|0,0,0]=2 48 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC 42024 [0,2,0,0,0,0|0,0,0]=2 49 B15R1.2988 C1CCCCCCCCCCCCCC1 A19416 [1,0,0,1,0,0|1,0,1]=4 50 B17R1.11298 C1CCCCCCCOC(=O)CCCCCC1 A11341 [0,1,0,1,0,0|0,0,0]=2