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O5",12,24,5,NA,NA,NA,"CHO","protein",-0.0256472958571804,1,2,0.416666666666667,1,1,0,1,1,1,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,0,1,1,0,1,0,1,0,0,0,0,1,1,1 "C16 H24 O2",16,24,2,NA,NA,NA,"CHO","lipid",-0.0555827254455801,1,1.5,0.125,0,1,0,1,1,0,1,0,1,1,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1,0,0,1,0,0,1,1,0,1,1,0,0,1,1,0,1,1,0,0,1,1,0,1,0,0,1,0,1,0,0,1,0,0,0,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,0,0,1,1,1,0,1,0,0,0,1,1,1,1,1,0,1,1,1,0,1,0,1,1,0,0,1,1,0,0,1,1,0,1,1 "C10 H4 O1 S2 N1 P1",10,4,1,1,2,1,"CHONSP","condHC",-0.011785901319593,1,0.4,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,0,0,1,1,0,1,0,0,1,1,0,0,1,1,0,0,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,0,1,1,0,1,1,1,1,1,0,1,1,1,1,1,0,1,0,1,0,1,0,1,0,1,1,0,1 "C7 H7 O7 S1 N1",7,7,7,1,1,NA,"CHONS","tanin",-0.0412031648779659,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1,0,1,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0 "C11 H7 O4 S1 N1",11,7,4,1,1,NA,"CHONS","condHC",-0.044328355372047,1,0.636363636363636,0.363636363636364,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0 "C11 H7 O6 N1",11,7,6,1,NA,NA,"CHON","condHC",0.0263908054326266,1,0.636363636363636,0.545454545454545,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,0,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,0,1,0,1,1,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,0,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,0,1,0,1,1,1 "C10 H7 O5 N3",10,7,5,3,NA,NA,"CHON","condHC",0.0432702724853633,1,0.7,0.5,1,0,0,1,0,0,0,0,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,1,1,0,0,1,0,0,1,0,0,1,1,0,1,1,0,0,0,1,1,0,1,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,1,0,0,1,0,1,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0,1,1,1,0,1,0,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,1,0,1 "C15 H7 O3 N1",15,7,3,1,NA,NA,"CHON","condHC",0.0477778857492846,1,0.466666666666667,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 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N2",13,16,8,2,NA,NA,"CHON","lignin",-0.0713580074046878,1,1.23076923076923,0.615384615384615,1,0,1,1,1,1,0,0,1,1,1,1,0,1,1,0,0,1,0,0,0,0,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,0,1,1,1,1,1,0,0,1,0,0,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,0,0,0,1,1,1,0,1,0,1,0,1,1,1,0,1,1,1,0,1,0,0,1,0,0,1,0,1,1,0,0,1,1,0,0,0,1,1,1 "C22 H16 O1 S1",22,16,1,NA,1,NA,"CHOS","condHC",0.33514083402235,1,0.727272727272727,0.0454545454545455,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 "C11 H21 O9 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S1",22,16,3,NA,1,NA,"CHOS","condHC",0.21588879597775,1,0.727272727272727,0.136363636363636,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0 "C11 H21 O11 P1",11,21,11,NA,NA,1,"CHOP","carb",0.303521368965726,1,1.90909090909091,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0 "C18 H16 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P1",21,19,1,2,1,1,"CHONSP","unsatHC",0.39035731952093,1,0.904761904761905,0.0476190476190476,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 "C15 H22 O9 S1",15,22,9,NA,1,NA,"CHOS","lignin",-0.0152211461543572,1,1.46666666666667,0.6,1,1,1,0,1,1,1,0,1,1,1,0,1,1,1,1,0,1,0,0,0,0,1,1,0,1,0,1,1,0,0,1,1,1,0,0,0,1,1,0,1,1,1,1,0,1,0,0,1,1,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,0,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,0,0,0,1,1,1,0,1,0,1,1,1,1,1,0,1,1,1,1,1,0,1,1,0,1,0,0,0,1,0,0,1,1,0,0,0,1,1,1 "C11 H27 O6 S2 N2 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H19 O11 P1",14,19,11,NA,NA,1,"CHOP","tanin",0.388193270974404,1,1.35714285714286,0.785714285714286,0,1,0,1,0,1,1,0,0,0,1,0,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1,0,0,0,1,0,1,1,1,1,0,1,0,0,0,1,0,1,0,0,0,1,1,1,1,1,0,0,0,1,1,1,0,0,0,1,0,1,1,1,0,0,0,1,1,0,0,1,1,1,1,0,0,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,0,1,0,0,1,0,1,0,1,0,1,0,0,1,1,1,0,1,1,1,1 "C21 H14 O8",21,14,8,NA,NA,NA,"CHO","condHC",-0.035087550995489,1,0.666666666666667,0.380952380952381,0,0,0,1,1,1,1,0,0,0,1,1,0,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1,0,1,0,0,1,1,0,1,0,0,1,1,1,1,1,0,0,1,1,1,0,1,0,0,1,1,0,1,1,1,0,1,1,1,1,1,0,1,0,1,1,0,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,0,1,0,0,1,0,1,0,0,0,1,1,0,1,1,0,0,0,1,1,1 "C14 H18 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P1",11,26,12,3,2,1,"CHONSP","undefined",-0.27129891125103,1,2.36363636363636,1.09090909090909,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 "C22 H17 O12 N1",22,17,12,1,NA,NA,"CHON","condHC",-0.0435969626935109,1,0.772727272727273,0.545454545454545,1,0,1,1,1,1,0,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,0,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,0,1,1,0,0,0,1,1,1 "C19 H21 O12 S1 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P1",30,20,1,1,2,1,"CHONSP","condHC",0.189840372678669,1,0.666666666666667,0.0333333333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0 "C24 H15 O10 N3",24,15,10,3,NA,NA,"CHON","condHC",0.140892384180032,1,0.625,0.416666666666667,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0 "C23 H24 O6 S2 N1 P1",23,24,6,1,2,1,"CHONSP","lignin",0.358621698800122,1,1.04347826086957,0.260869565217391,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,1,1,0,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,1,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,1,0,1,1,0,0,0,1,0,1,0,0,0,1,0,1,0,1,0,0,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0,1,1,1 "C29 H15 O8 N1",29,15,8,1,NA,NA,"CHON","condHC",0.420114146452306,1,0.517241379310345,0.275862068965517,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0 "C11 H28 O13 S2 N3 P1",11,28,13,3,2,1,"CHONSP","undefined",-0.229321050801139,1,2.54545454545455,1.18181818181818,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0 "C22 H19 O13 N1",22,19,13,1,NA,NA,"CHON","lignin",-0.0105464598387555,1,0.863636363636364,0.590909090909091,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,0,1,1,0,0,0,1,1,1 "C19 H23 O13 S1 N1",19,23,13,1,1,NA,"CHONS","tanin",-0.0473556032870845,1,1.21052631578947,0.684210526315789,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 "C27 H24 O3 S2 N1 P1",27,24,3,1,2,1,"CHONSP","unsatHC",0.43212273039344,1,0.888888888888889,0.111111111111111,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,0,0,1,1,1,1,0,1,0,0,0,1,0,1,0,0,0,1,1,1,1,1,0,0,1,1,1,1,0,0,1,1,0,1,1,1,0,0,0,1,1,0,0,1,0,1,1,0,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,0,0,0,1,1,0,1,1,0,0,1,1,1,1 "C21 H19 O12 N3",21,19,12,3,NA,NA,"CHON","lignin",0.0158382804594963,1,0.904761904761905,0.571428571428571,0,0,1,0,1,1,0,0,1,1,1,1,0,1,0,1,0,1,1,1,0,1,1,0,0,0,1,1,1,0,1,0,0,1,1,1,0,0,1,0,1,0,1,1,0,1,0,0,1,1,0,1,0,0,1,1,1,1,1,1,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,1,0,1,0,1,1,0,0,0,1,1,1,0,0,0,1,1,1,1,1,0,1,1,1,0,1,0,0,1,0,0,0,0,0,1,1,0,1,0,0,0,0,1,1,1 "C26 H19 O10 N1",26,19,10,1,NA,NA,"CHON","condHC",0.117460476525806,1,0.730769230769231,0.384615384615385,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 "C26 H24 O2 S2 N3 P1",26,24,2,3,2,1,"CHONSP","unsatHC",0.394690421908139,1,0.923076923076923,0.0769230769230769,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 "C19 H23 O15 N1",19,23,15,1,NA,NA,"CHON","tanin",0.0259665720565972,1,1.21052631578947,0.789473684210526,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,0,1,0,0,0,1,0,1,1,0,1,0,1,0,0,0,1,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,1,0,1,0,1,1,0,0,0,1,1,1,0,0,1,1,1,1,1,1,0,0,1,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0,1,1,1 "C24 H28 O5 S2 N1 P1",24,28,5,1,2,1,"CHONSP","lignin",0.402178676543454,1,1.16666666666667,0.208333333333333,0,0,0,0,0,1,0,0,1,1,1,1,0,1,0,1,0,0,0,1,0,1,1,0,0,1,0,1,0,0,0,1,0,1,1,0,0,0,1,0,1,0,0,1,0,1,0,0,0,1,0,1,0,0,0,1,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,1,0,1,1,0,0,0,1,0,1,0,0,1,1,0,1,1,1,0,1,1,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0,0,1,1,1 "C23 H23 O12 N1",23,23,12,1,NA,NA,"CHON","lignin",-0.0140953797039473,1,1,0.521739130434783,1,1,1,1,1,1,0,0,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,0,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,0,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,0,1,1,0,0,0,1,1,1 "C16 H27 O17 N1",16,27,17,1,NA,NA,"CHON","undefined",-0.0725146443345603,1,1.6875,1.0625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 "C28 H28 O2 S2 N1 P1",28,28,2,1,2,1,"CHONSP","unsatHC",0.423232749716655,1,1,0.0714285714285714,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,0,1,0,1,0,1,1,1,0,1,0,1,1,0,0,1,0,1,1,0,0,0,1,0,1,1,1,1,0,1,0,0,0,1,1,1,0,0,0,1,1,1,1,1,0,0,0,1,1,1,0,0,1,1,0,1,1,1,0,0,0,1,1,0,0,1,0,1,1,0,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,0,1,0,1,1,0,1,1,0,0,1,1,1,1 "C22 H23 O11 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P1",29,24,2,1,2,1,"CHONSP","unsatHC",0.395319832600516,1,0.827586206896552,0.0689655172413793,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0,0,1,0,0,0,1,0,1,0,0,0,1,1,1,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,1,0,0,0,1,1,0,0,1,0,1,0,0,0,0,1,1,1,0,0,0,1,1,1,1,1,0,1,1,1,0,1,0,0,1,0,1,0,0,0,1,0,0,1,1,0,0,0,1,1,1 "C23 H19 O11 N3",23,19,11,3,NA,NA,"CHON","lignin",0.0756821302509785,1,0.826086956521739,0.478260869565217,0,0,0,0,1,0,0,0,1,1,1,0,0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,1,0,1,0,0,1,1,0,1,0,0,0,0,1,1,1,1,0,1,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1,1,0,0,0,1,1,0,1,1,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,1 "C25 H23 O9 S1 N1",25,23,9,1,1,NA,"CHONS","lignin",-0.0723296795288627,1,0.92,0.36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0 "C15 H32 O12 S2 N1 P1",15,32,12,1,2,1,"CHONSP","carb",-0.263596706685705,1,2.13333333333333,0.8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0 "C21 H23 O14 N1",21,23,14,1,NA,NA,"CHON","tanin",-0.00527502696043007,1,1.0952380952381,0.666666666666667,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,0,1,0,1,1,1,1,0,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,0,0,0,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,0,1,1,0,0,1,1,1,1 "C18 H27 O14 S1 N1",18,27,14,1,1,NA,"CHONS","carb",-0.0871946177140023,1,1.5,0.777777777777778,0,0,0,0,1,1,0,0,1,1,0,1,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,1,0,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,1,1,0,1,1,1,1,0,0,1,0,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,0,1,0,1,1,1,0,0,0,1,1,1,0,1 "C39 H15 O1 N1",39,15,1,1,NA,NA,"CHON","condHC",-0.344244324661595,1,0.384615384615385,0.0256410256410256,0,0,0,0,1,1,0,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,1,1,0,0,0,1,0,1,1,0,0,1,1,1,1,0,0,1,1,1,1,0,0,1,0,0,0,1,1,1,0,0,1,1,0,0,0,1,1,1,1,1,1,1,1,0,0,1,1,0,1,1,0,1,1,1,1,1,1,0,1,1,1,0,1,0,1,0,1,1,1,0,0,0,1,1,1,0,1 "C26 H28 O4 S2 N1 P1",26,28,4,1,2,1,"CHONSP","lignin",0.406141532544982,1,1.07692307692308,0.153846153846154,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,0,1,1,0,1,0,1,0,0,0,1,1,1,0,0,0,1,1,1,1,1,0,0,1,1,1,1,1,0,1,1,0,1,1,1,0,0,0,1,0,0,0,1,0,1,1,0,0,0,1,1,1,0,1,1,1,0,1,1,1,0,1,1,1,0,1,0,1,1,1,1,0,1,0,1,1,0,1,1,0,0,1,1,1,1 "C20 H23 O13 N3",20,23,13,3,NA,NA,"CHON","tanin",-0.0518943046617289,1,1.15,0.65,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,1,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0 "C25 H23 O11 N1",25,23,11,1,NA,NA,"CHON","lignin",0.021543227837404,1,0.92,0.44,0,0,0,0,1,1,0,0,0,1,1,0,0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1,0,1,0,0,1,1,1,1,0,0,0,1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,1,0,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1,1,0,0,0,1,1,0,1,1,0,1,1,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,1,1 "C18 H27 O16 N1",18,27,16,1,NA,NA,"CHON","carb",-0.129835046745173,1,1.5,0.888888888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 "C30 H28 O1 S2 N1 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N3",21,23,13,3,NA,NA,"CHON","lignin",0.0374787949386625,1,1.0952380952381,0.619047619047619,0,0,0,0,1,1,0,0,0,1,1,0,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,1,0,1,0,0,0,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,1,0,1,0,1,1,0,0,0,1,1,1,0,0,0,1,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,1,1 "C26 H23 O11 N1",26,23,11,1,NA,NA,"CHON","lignin",0.052017094835796,1,0.884615384615385,0.423076923076923,0,0,0,0,1,1,0,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1,0,1,0,0,1,1,0,1,0,0,0,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,1,0,1,0,1,1,0,0,0,1,1,1,0,0,0,1,1,0,1,1,0,1,1,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,1 "C31 H28 O1 S2 N1 P1",31,28,1,1,2,1,"CHONSP","unsatHC",0.390956417418405,1,0.903225806451613,0.032258064516129,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0 "C25 H23 O10 N3",25,23,10,3,NA,NA,"CHON","lignin",0.143698250567177,1,0.92,0.4,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,1,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,0,0,1,1,0,0,0,0,1,1,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0 "C23 H27 O13 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N1",20,31,15,1,NA,NA,"CHON","carb",0.0679712117224949,1,1.55,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0 "C26 H27 O9 N3",26,27,9,3,NA,NA,"CHON","lignin",-0.0221076483283023,1,1.03846153846154,0.346153846153846,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 "C24 H31 O12 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