0 B17R0.43 CC(C)CCCCCCCCCCCCCCO W17886 [0,0,0,0,0,0|3,0,1]=4 1 B17R0.43 CCCCCCCCCCCCCCCN(C)C A11009 [0,0,0,0,0,0|3,0,0]=3 2 B17R0.43 CCCCCC\C=C/CCCCCCCC(N)=O D93056 [0,0,0,0,0,0|1,0,2]=3 3 B17R0.43 NCCCCCCCCCCCCCCC(=O)O AC4715 [0,0,0,0,0,0|1,0,0]=1 4 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr C75652 [0,0,0,0,0,0|1,0,0]=1 5 B16R0.274 CCCCCCCCCCCCCCC(N)=O D93297 [1,0,0,0,0,0|1,0,0]=2 6 B16R0.274 O=C(O)CCCCCCCCCCCCCO S10578 [1,0,0,0,0,0|1,0,0]=2 7 B16R0.303 C#CCCCCCCCCCCCCCCC T72187 [1,0,0,0,0,0|1,0,1]=3 8 B16R0.303 C=CCCCCCCCCCCCCCCBr A51198 [1,0,0,0,0,0|2,0,0]=3 9 B16R0.303 CCCCCCCCCCCCCCCC#N D80676 [1,0,0,0,0,0|1,0,1]=3 10 B16R0.303 CCCCCCCCCCCCCCCC=O RB3019 [1,0,0,0,0,0|0,0,0]=1 11 B16R0.303 CCCCCC\C=C/CCCCCCCCO S11592 [1,0,0,0,0,0|0,0,3]=4 12 B16R0.303 CCCC\C=C/CCCCCCCCCC=O T72592 [1,0,0,0,0,0|0,0,2]=3 13 B16R0.303 OCCCCCCCCCCCCCCCBr 67109 [1,0,0,0,0,0|1,0,1]=3 14 B16R0.303 OCCCCCCCCCCCCCCCO 11975 [1,0,0,0,0,0|1,0,1]=3 15 B18R0.94 CCCCCCCCC(=O)CCCCCCC(=O)O D94349 [0,1,0,0,0,0|0,0,1]=2 16 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC C14187 [0,1,0,0,0,0|0,0,2]=3 17 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] S10579 [0,1,0,0,0,0|0,0,1]=2 18 B18R0.176 CCCCCCCCCCCCCCCCC(N)=O D81341 [0,1,0,0,0,0|1,0,0]=2 19 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO F13220 [0,1,0,0,0,0|0,0,0]=1 20 B18R1.1108 CCCCCCCCCCC[C@H]1CCCC(=O)O1 D93244 [0,0,0,1,0,0|0,0,0]=1 21 B15R0.70 C=CCCCCCCCCCCCCCO D97263 [2,0,0,0,0,0|0,0,2]=4 22 B15R0.70 NCCCCCCCCCCCCCCN AC8480 [2,0,0,0,0,0|2,0,0]=4 23 B15R0.164 C#CCCCCCCCCCCCC(=O)O W15678 [2,0,0,0,0,0|0,0,2]=4 24 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] 42117 [2,0,0,0,0,0|0,0,1]=3 25 B17R0.197 CCCCCCCCCCCCCCC(C)(C)O D93210 [1,1,0,0,0,0|1,0,1]=4 26 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O T72493 [1,1,0,0,0,0|1,0,0]=3 27 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O T71188 [1,1,0,0,0,0|1,0,1]=4 28 B17R0.117 BrCCCCCCCCCCCCCCCCBr 29512 [1,1,0,0,0,0|1,0,1]=4 29 B17R0.117 CCCCCCCCCCCCCCCCCN T70904 [1,1,0,0,0,0|1,0,1]=4 30 B17R0.117 CCCCCCCCCCCCCCOCCO A12270 [1,1,0,0,0,0|0,0,1]=3 31 B17R0.117 OCCCCCCCCCCCCCCCCBr 66902 [1,1,0,0,0,0|0,0,1]=3 32 B19R0.21221 COC(=O)CCCCCCCCCCCCC(=O)OC D81879 [0,2,0,0,0,0|1,0,1]=4 33 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C A10872 [0,2,0,0,0,0|1,0,0]=3 34 B19R0.153 CCCCCCCCCCCCCCOC(=O)C(C)C A11167 [0,2,0,0,0,0|2,0,0]=4 35 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCCl D93831 [0,2,0,0,0,0|0,0,0]=2 36 B19R0.182 CCCCCCCCCCCCCCOC(=O)CCC A11148 [0,2,0,0,0,0|2,0,0]=4 37 B19R0.182 CCCCCC\C=C/CCCCCCCC(=O)OCC D90887 [0,2,0,0,0,0|0,0,2]=4 38 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] F20759 [0,2,0,0,0,0|0,0,1]=3 39 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O D78470 [0,2,0,0,0,0|0,0,0]=2 40 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(N)=O D83824 [0,2,0,0,0,0|1,0,0]=3 41 B19R0.149 CCCC\C=C/CCCCCCCCCCOC(C)=O D94933 [0,2,0,0,0,0|1,0,1]=4 42 B19R1.195866 O=C1CCCCCCCCCCCC(=O)OCCO1 D77704 [0,1,0,1,0,0|1,0,1]=4