0 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl 099061 [0,0,0,0,0,0|1,0,0]=1 1 B17R0.43 CCCCCCCCCCCCCCCC(=O)O 225490 [0,0,0,0,0,0|0,0,0]=0 2 B17R0.43 CCCCCCCCCCCCCCCC(N)=O 102441 [0,0,0,0,0,0|1,0,0]=1 3 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O 094717 [0,0,0,0,0,0|0,0,2]=2 4 B16R0.274 CCCCCCCCCCCCCCC(=O)O 321973 [1,0,0,0,0,0|0,0,0]=1 5 B16R0.274 CCCCCCCCCCCCCCN(C)C 135700 [1,0,0,0,0,0|3,0,0]=4 6 B16R0.303 CCCCCCCCCCCCCCCCBr BR1074 [1,0,0,0,0,0|1,0,1]=3 7 B16R0.303 CCCCCCCCCCCCCCCCCl 238802 [1,0,0,0,0,0|1,0,1]=3 8 B16R0.303 CCCCCCCCCCCCCCCCN 099187 [1,0,0,0,0,0|1,0,1]=3 9 B16R0.303 CCCCCCCCCCCCCCCCO 225485 [1,0,0,0,0,0|0,0,1]=2 10 B16R0.303 CCCCCCCCCCCCCCCCS 144700 [1,0,0,0,0,0|0,1,1]=3 11 B16R0.303 CCCCCCCCCCCCNCCC#N 018649 [1,0,0,0,0,0|2,0,1]=4 12 B16R0.303 CCCCCCCCNCCCCCCCC 242970 [1,0,0,0,0,0|2,0,1]=4 13 B16R0.303 CCCCCCCCSCCCCCCCC 099123 [1,0,0,0,0,0|2,0,1]=4 14 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl 477761 [0,1,0,0,0,0|1,0,0]=2 15 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O 240381 [0,1,0,0,0,0|0,0,0]=1 16 B18R0.176 CCCCCCCCCCCCCCCCN(C)C 134700 [0,1,0,0,0,0|3,0,0]=4 17 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr 465265 [0,1,0,0,0,0|0,0,0]=1 18 B15R0.70 C=CCCCCCCCCCCCCCC 105501 [2,0,0,0,0,0|0,0,1]=3 19 B15R0.70 CCCCCCCCCCCCCCCC 104402 [2,0,0,0,0,0|0,0,1]=3 20 B15R0.164 CCCCCCCCCCCCCC(=O)Cl 099087 [2,0,0,0,0,0|1,0,0]=3 21 B15R0.164 CCCCCCCCCCCCCC(=O)O 241293 [2,0,0,0,0,0|0,0,0]=2 22 B15R0.164 CCCCCCCCCCCCCC(C)=O 228741 [2,0,0,0,0,0|1,0,0]=3 23 B15R0.164 CCCCCCCCCCCCNC(C)=O 181180 [2,0,0,0,0,0|2,0,0]=4 24 B15R0.164 CCCCCCCCCCCCOC(=O)Cl 242582 [2,0,0,0,0,0|2,0,0]=4 25 B17R0.1713 O=C(O)CCCCCCCCCCCCC(O)O 300851 [1,1,0,0,0,0|1,0,0]=3 26 B17R0.104 CCCCCCCCC(O)CCCCCCCC 340054 [1,1,0,0,0,0|1,0,1]=4 27 B17R0.117 C=CCCCCCCCCCCCCCCCC 098821 [1,1,0,0,0,0|1,0,0]=3 28 B17R0.117 CCCCCCCCCCCCCCCCCO 222774 [1,1,0,0,0,0|0,0,1]=3 29 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC 242852 [0,2,0,0,0,0|0,0,0]=2 30 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl 358448 [0,2,0,0,0,0|1,0,0]=3 31 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O 102341 [0,2,0,0,0,0|0,0,0]=2 32 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O 237888 [0,2,0,0,0,0|0,0,0]=2 33 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 361951 [0,2,0,0,0,0|0,0,1]=3 34 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O 098830 [0,2,0,0,0,0|0,0,0]=2 35 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] 103844 [0,2,0,0,0,0|0,0,1]=3 36 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] 105989 [0,2,0,0,0,0|0,0,1]=3 37 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O 003426 [0,2,0,0,0,0|0,0,0]=2 38 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O 103815 [0,2,0,0,0,0|0,0,0]=2 39 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O 046840 [0,2,0,0,0,0|0,0,2]=4 40 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl 103571 [0,2,0,0,0,0|1,0,1]=4 41 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 046810 [0,1,0,1,0,0|1,0,1]=4