#METABOLOMICS WORKBENCH bhoffmann18_20230626_900001 DATATRACK_ID:4116 STUDY_ID:ST002758 ANALYSIS_ID:AN004477 PROJECT_ID:PR001719
VERSION             	1
CREATED_ON             	June 28, 2023, 12:09 pm
#PROJECT
PR:PROJECT_TITLE                 	SD Rat Metabolomics in Response to Salt
PR:PROJECT_TYPE                  	Untargeted Four-Mode Metabolomics
PR:PROJECT_SUMMARY               	This study analyzed the effects of a high salt (HS; 4.0% NaCl) diet upon the
PR:PROJECT_SUMMARY               	kidney, arterial plasma, and renal venous plasma metabolomic profiles of normal
PR:PROJECT_SUMMARY               	Sprague-Dawley rats.
PR:INSTITUTE                     	Medical College of Wisconsin
PR:DEPARTMENT                    	Physiology
PR:LABORATORY                    	Dr. Allen W. Cowley
PR:LAST_NAME                     	Cowley
PR:FIRST_NAME                    	Allen
PR:ADDRESS                       	8701 W. Watertown Plank Rd, Milwaukee, WI 53226
PR:EMAIL                         	cowley@mcw.edu
PR:PHONE                         	414-955-8277
PR:FUNDING_SOURCE                	NHLBI
PR:CONTRIBUTORS                  	Satoshi Shimada, Brian R. Hoffmann, Chun Yang, Theresa Kurth, Andrew S. Greene,
PR:CONTRIBUTORS                  	Mingyu Liang, Ranjan K. Dash, Allen W. Cowley Jr
#STUDY
ST:STUDY_TITLE                   	Metabolic responses of normal rat kidneys to a high salt intake (Plasma)
ST:STUDY_SUMMARY                 	In this study, novel methods were developed which allowed continuous (24/7)
ST:STUDY_SUMMARY                 	measurement of arterial blood pressure and renal blood flow in freely moving
ST:STUDY_SUMMARY                 	rats and the intermittent collection of arterial and renal venous blood to
ST:STUDY_SUMMARY                 	estimate kidney metabolic fluxes of O2 and metabolites. Specifically, the study
ST:STUDY_SUMMARY                 	determined the effects of a high salt (HS; 4.0% NaCl) diet upon whole kidney O2
ST:STUDY_SUMMARY                 	consumption and arterial and renal venous plasma metabolomic profiles of normal
ST:STUDY_SUMMARY                 	Sprague-Dawley rats. A separate group of rats was studied to determine changes
ST:STUDY_SUMMARY                 	in the cortex and outer medulla tissue metabolomic profiles before and following
ST:STUDY_SUMMARY                 	the switch from a 0.4% to 4.0% NaCl diet.
ST:INSTITUTE                     	Medical College of Wisconsin
ST:DEPARTMENT                    	Physiology
ST:LABORATORY                    	Dr. Allen W. Cowley
ST:LAST_NAME                     	Cowley
ST:FIRST_NAME                    	Allen
ST:ADDRESS                       	8701 W. Watertown Plank Rd, Milwaukee, WI 53226
ST:EMAIL                         	cowley@mcw.edu
ST:STUDY_TYPE                    	Time-course metabolomics experiment
ST:PHONE                         	4149558277
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_29_37-417_HS14-A_C18pos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_29_37-417_HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_29_37-417-HS14-A_C18pos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_29_37-417-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_35_41-417_HS21-RV_C18pos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_35_41-417_HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_35_41-417-HS21-RV_C18pos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_35_41-417-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	-	20211007_Blank_Cowley3_C18pos_1	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211007_Blank_Cowley3_C18pos_2	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211007_Blank_Cowley3_C18pos_3	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211007_Blank_Cowley3_C18pos_4	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211007_Blank_Cowley3_C18pos_5	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_5; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211007_Blank_Cowley3_C18pos_6	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_6; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211007_Blank_Cowley3_C18pos_7	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_7; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211007_Blank_Cowley3_C18pos_8	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_8; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_1	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_1; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_2	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_2; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_3	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_3; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_4	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_4; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_5	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_5; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_6	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_6; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_7	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_7; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_8	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_8; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20220107_Cowley3_Blank_C18pos_1	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18pos_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220107_Cowley3_Blank_C18pos_2	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18pos_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220107_Cowley3_Blank_C18pos_3	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18pos_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220107_Cowley3_Blank_C18pos_3_20220108145336	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18pos_3_20220108145336; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220110_Cowley3_Blank_C18pos_1	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220110_Cowley3_Blank_C18pos_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220110_Cowley3_Blank_C18pos_2	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220110_Cowley3_Blank_C18pos_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220110_Cowley3_Blank_C18pos_3	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220110_Cowley3_Blank_C18pos_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220110_Cowley3_Blank_C18pos_4	Treatment:n/a | Source:n/a	Instrument Mode=C18positive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220110_Cowley3_Blank_C18pos_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_23_40-417-HS21-A_C18neg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_23_40-417-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_23_40-417-HS21-A_C18neg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_23_40-417-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_24_88-463-HS21-A_C18neg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_24_88-463-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_24_88-463-HS21-A_C18neg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_24_88-463-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_3_77-434-HS-21-RV_C18neg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_3_77-434-HS-21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_3_77-434-HS-21-RV_C18neg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_3_77-434-HS-21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_6_65-429-HS-21-RV_C18neg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_6_65-429-HS-21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_6_65-429-HS-21-RV_C18neg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_6_65-429-HS-21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_25_89-463-HS21-RV_C18neg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_25_89-463-HS21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_25_89-463-HS21-RV_C18neg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_25_89-463-HS21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_26_53-421-HS21-RV_C18neg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_26_53-421-HS21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_26_53-421-HS21-RV_C18neg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_26_53-421-HS21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_30_41-417-HS21-RV_C18neg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_30_41-417-HS21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_30_41-417-HS21-RV_C18neg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_30_41-417-HS21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_7_82-463-HS7-A_C18neg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_7_82-463-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_7_82-463-HS7-A_C18neg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_7_82-463-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_17_34-417-HS7-A_C18neg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_17_34-417-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_17_34-417-HS7-A_C18neg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_17_34-417-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_33_46-421-HS7-A_C18neg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_33_46-421-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_33_46-421-HS7-A_C18neg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_33_46-421-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_38_70-434-HS7-A_C18neg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_38_70-434-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_38_70-434-HS7-A_C18neg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_38_70-434-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_40_58-429-HS7-A_C18neg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_40_58-429-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_40_58-429-HS7-A_C18neg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_40_58-429-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_1_35-417-HS7-RV_C18neg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_1_35-417-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_1_35-417-HS7-RV_C18neg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_1_35-417-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_8_47-421-HS7-RV_C18neg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_8_47-421-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_8_47-421-HS7-RV_C18neg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_8_47-421-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_9_71-434-HS7-RV_C18neg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_9_71-434-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_9_71-434-HS7-RV_C18neg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_9_71-434-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_15_83-463-HS7-RV_C18neg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_15_83-463-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_15_83-463-HS7-RV_C18neg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_15_83-463-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_22_59-429-HS7-RV_C18neg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_22_59-429-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_22_59-429-HS7-RV_C18neg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_22_59-429-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_4_43-421-LS-A_C18neg	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_4_43-421-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_4_43-421-LS-A_C18neg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_4_43-421-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_12_31-417-LS-A_C18neg	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_12_31-417-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_12_31-417-LS-A_C18neg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_12_31-417-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_29_79-463-LS-A_C18neg	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_29_79-463-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_29_79-463-LS-A_C18neg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_29_79-463-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_35_67-434-LS-A_C18neg	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_35_67-434-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_35_67-434-LS-A_C18neg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_35_67-434-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_36_55-429-LS-A_C18neg	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_36_55-429-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_36_55-429-LS-A_C18neg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_36_55-429-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_2_44-421-LSRV_C18neg	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_2_44-421-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211013_Cowley3_Plasma_2_44-421-LSRV_C18neg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_2_44-421-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_5_32-417-LSRV_C18neg	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_5_32-417-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211013_Cowley3_Plasma_5_32-417-LSRV_C18neg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_5_32-417-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_14_80-463-HS14-LSRV_C18neg	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_14_80-463-HS14-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211013_Cowley3_Plasma_14_80-463-HS14-LSRV_C18neg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_14_80-463-HS14-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_19_56-429-LSRV_C18neg	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_19_56-429-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211013_Cowley3_Plasma_19_56-429-LSRV_C18neg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_19_56-429-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_20_68-434-LSRV_C18neg	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_20_68-434-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211013_Cowley3_Plasma_20_68-434-LSRV_C18neg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_20_68-434-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	-	20211013_Blank_Cowley3_C18neg_1	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211013_Blank_Cowley3_C18neg_2	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211013_Blank_Cowley3_C18neg_3	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211013_Blank_Cowley3_C18neg_4	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211013_Blank_Cowley3_C18neg_5	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_5; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211013_Blank_Cowley3_C18neg_6	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_6; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211013_Blank_Cowley3_C18neg_7	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_7; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211013_Blank_Cowley3_C18neg_8	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_8; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_1	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_1; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_2	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_2; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_3	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_3; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_4	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_4; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_5	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_5; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_6	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_6; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_7	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_7; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_8	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_8; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20220107_Cowley3_Blank_C18neg_1	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18neg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220107_Cowley3_Blank_C18neg_2	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18neg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220107_Cowley3_Blank_C18neg_3	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18neg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220107_Cowley3_Blank_C18neg_3_20220109231151	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18neg_3_20220109231151; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220111_Cowley3_Blank_C18neg_1	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220111_Cowley3_Blank_C18neg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220111_Cowley3_Blank_C18neg_2	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220111_Cowley3_Blank_C18neg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220111_Cowley3_Blank_C18neg_3	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220111_Cowley3_Blank_C18neg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220111_Cowley3_Blank_C18neg_4	Treatment:n/a | Source:n/a	Instrument Mode=C18negative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220111_Cowley3_Blank_C18neg_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_6_43-421-LS-A_HILICpos	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_6_43-421-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_6_43-421-LS-A_HILICposrep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_6_43-421-LS-A_HILICposrep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	463	20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	434	20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	417	20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	429	20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	421	20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS           	-	20211020_Blank_Cowley3_HILICpos_1	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_1; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS           	-	20211020_Blank_Cowley3_HILICpos_2	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_2; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS           	-	20211020_Blank_Cowley3_HILICpos_3	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_3; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS           	-	20211020_Blank_Cowley3_HILICpos_4	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_4; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS           	-	20211020_Blank_Cowley3_HILICpos_5	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_5; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS           	-	20211020_Blank_Cowley3_HILICpos_6	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_6; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS           	-	20211020_Blank_Cowley3_HILICpos_7	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_7; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS           	-	20211020_Blank_Cowley3_HILICpos_8	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_8; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS           	-	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_1	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_1; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS           	-	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_2	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_2; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS           	-	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_3	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_3; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS           	-	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_4	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_4; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS           	-	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_5	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_5; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS           	-	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_6	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_6; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS           	-	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_7	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_7; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS           	-	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_8	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_8; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS           	-	20220113_Cowley3_Blank_HILICpos_1_20220114102319	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_1_20220114102319; Sample Type=Blank; Sample Group=n/a
SUBJECT_SAMPLE_FACTORS           	-	20220113_Cowley3_Blank_HILICpos_2	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_2; Sample Type=Blank; Sample Group=n/a
SUBJECT_SAMPLE_FACTORS           	-	20220113_Cowley3_Blank_HILICpos_3	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_3; Sample Type=Blank; Sample Group=n/a
SUBJECT_SAMPLE_FACTORS           	-	20220113_Cowley3_Blank_HILICpos_4	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_4; Sample Type=Blank; Sample Group=n/a
SUBJECT_SAMPLE_FACTORS           	-	20220113_Cowley3_Blank_HILICpos_1_20220116052940	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_1_20220116052940; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220113_Cowley3_Blank_HILICpos_2_20220116155333	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_2_20220116155333; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220113_Cowley3_Blank_HILICpos_3_20220117004515	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_3_20220117004515; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220113_Cowley3_Blank_HILICpos_4_20220117093703	Treatment:n/a | Source:n/a	Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_4_20220117093703; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg_rep	Treatment:HS14 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg_rep	Treatment:HS14 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_26_88-463-HS21-A_HILICneg	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_26_88-463-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_26_88-463-HS21-A_HILICneg_rep	Treatment:HS21 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_26_88-463-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_13_89-463-HS21-RV_HILICneg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_13_89-463-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_13_89-463-HS21-RV_HILICneg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_13_89-463-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_20_77-434-HS21-RV_HILICneg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_20_77-434-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_20_77-434-HS21-RV_HILICneg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_20_77-434-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_22_41-417-HS21-RV_HILICneg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_22_41-417-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_22_41-417-HS21-RV_HILICneg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_22_41-417-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_29_53-421-HS21-RV_HILICneg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_29_53-421-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_29_53-421-HS21-RV_HILICneg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_29_53-421-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_35_65-429-HS21-RV_HILICneg	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_35_65-429-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_35_65-429-HS21-RV_HILICneg_rep	Treatment:HS21 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_35_65-429-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_7_34-417-HS7-A_HILICneg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_7_34-417-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_7_34-417-HS7-A_HILICneg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_7_34-417-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_9_46-421-HS7-A_HILICneg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_9_46-421-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_9_46-421-HS7-A_HILICneg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_9_46-421-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_21_70-434-HS7-A_HILICneg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_21_70-434-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_21_70-434-HS7-A_HILICneg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_21_70-434-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_30_58-429-HS7-A_HILICneg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_30_58-429-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_30_58-429-HS7-A_HILICneg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_30_58-429-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_36_82-463-HS7-A_HILICneg	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_36_82-463-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_36_82-463-HS7-A_HILICneg_rep	Treatment:HS7 | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_36_82-463-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_1_71-434-HS7-RV_HILICneg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_1_71-434-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_1_71-434-HS7-RV_HILICneg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_1_71-434-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_3_47-421-HS7-RV_HILICneg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_3_47-421-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_3_47-421-HS7-RV_HILICneg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_3_47-421-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_15_83-463-HS7-RV_HILICneg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_15_83-463-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_15_83-463-HS7-RV_HILICneg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_15_83-463-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_27_35-417-HS7-RV_HILICneg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_27_35-417-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_27_35-417-HS7-RV_HILICneg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_27_35-417-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_40_59-429-HS7-RV_HILICneg	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_40_59-429-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_40_59-429-HS7-RV_HILICneg_rep	Treatment:HS7 | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_40_59-429-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_2_43-421-LS-A_HILICneg	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_2_43-421-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_2_43-421-LS-A_HILICneg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_2_43-421-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_14_79-463-LS-A_HILICneg	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_14_79-463-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_14_79-463-LS-A_HILICneg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_14_79-463-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_17_31-417-LS-A_HILICneg	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_17_31-417-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_17_31-417-LS-A_HILICneg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_17_31-417-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_18_55-429-LS-A_HILICneg	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_18_55-429-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_18_55-429-LS-A_HILICneg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_18_55-429-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_19_67-434-LS-A_HILICneg	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_19_67-434-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_19_67-434-LS-A_HILICneg_rep	Treatment:LS | Source:Artery Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_19_67-434-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_4_56-429-LS-RV_HILICneg	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_4_56-429-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	429	20211029_Cowley3_Plasma_4_56-429-LS-RV_HILICneg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_4_56-429-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_6_68-434-LS-RV_HILICneg	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_6_68-434-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	434	20211029_Cowley3_Plasma_6_68-434-LS-RV_HILICneg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_6_68-434-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_33_32-417-LS-RV_HILICneg	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_33_32-417-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	417	20211029_Cowley3_Plasma_33_32-417-LS-RV_HILICneg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_33_32-417-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_37_80-463-LS-RV_HILICneg	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_37_80-463-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	463	20211029_Cowley3_Plasma_37_80-463-LS-RV_HILICneg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_37_80-463-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_38_44-421-LS-RV_HILICneg	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_38_44-421-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	421	20211029_Cowley3_Plasma_38_44-421-LS-RV_HILICneg_rep	Treatment:LS | Source:Vein Plasma	Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_38_44-421-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS           	-	20211029_Blank_Cowley3_HILICneg_2	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211029_Blank_Cowley3_HILICneg_3	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211029_Blank_Cowley3_HILICneg_4	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211029_Blank_Cowley3_HILICneg_5	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_5; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211029_Blank_Cowley3_HILICneg_6	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_6; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211029_Blank_Cowley3_HILICneg_7	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_7; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211029_Blank_Cowley3_HILICneg_8	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_8; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211029_Blank_Cowley3_Plasma_HILICneg_1	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_Plasma_HILICneg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_1	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_1; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_2	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_2; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_3	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_3; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_4	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_4; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_5	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_5; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_6	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_6; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_7	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_7; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_8	Treatment:Plasma Pool | Source:Plasma Pool	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_8; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS           	-	20220118_Cowley3_Blank_HILICneg_1	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220118_Cowley3_Blank_HILICneg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220118_Cowley3_Blank_HILICneg_2	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220118_Cowley3_Blank_HILICneg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220118_Cowley3_Blank_HILICneg_3	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220118_Cowley3_Blank_HILICneg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220118_Cowley3_Blank_HILICneg_4	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220118_Cowley3_Blank_HILICneg_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220119_Cowley3_Blank_HILICneg_1	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220119_Cowley3_Blank_HILICneg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220119_Cowley3_Blank_HILICneg_2	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220119_Cowley3_Blank_HILICneg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220119_Cowley3_Blank_HILICneg_3	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220119_Cowley3_Blank_HILICneg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS           	-	20220119_Cowley3_Blank_HILICneg_4	Treatment:n/a | Source:n/a	Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220119_Cowley3_Blank_HILICneg_4; Sample Type=Blank; Sample Group=n/a, n/a
#COLLECTION
CO:COLLECTION_SUMMARY            	Plasma was collected through an arterial and renal venous catheter throughout
CO:COLLECTION_SUMMARY            	the study (200 µL of arterial and renal venous blood were sampled at the day 7,
CO:COLLECTION_SUMMARY            	14, and 21). Overnight urine (18 hours) from the day before the blood draw was
CO:COLLECTION_SUMMARY            	collected on ice. The kidneys were collected either at 14 days of HS (HS14) or
CO:COLLECTION_SUMMARY            	21 days of HS (HS21). The kidneys of only LS fed SD rats were also collected for
CO:COLLECTION_SUMMARY            	comparison. The collected kidneys (n=5 for each group for metabolomics) were
CO:COLLECTION_SUMMARY            	dissected to cortex and outer medulla and snap frozen with liquid nitrogen.
CO:COLLECTION_SUMMARY            	Plasma, urine and tissue were stored in -80°C until further analysis.
CO:SAMPLE_TYPE                   	Arterial plasma; Venous plasma
CO:STORAGE_CONDITIONS            	-80?
#TREATMENT
TR:TREATMENT_SUMMARY             	Rats (n=7, 10-11 weeks of age) were performed renal blood flow (RBF) probe
TR:TREATMENT_SUMMARY             	implantation and femoral arterial catheterization5. Briefly, rats were
TR:TREATMENT_SUMMARY             	anesthetized with isoflurane and arterial catheter was inserted. Following an
TR:TREATMENT_SUMMARY             	abdominal incision, RBF probe was implanted on left renal artery and the cable
TR:TREATMENT_SUMMARY             	was exposed at nape of the neck via the subcutaneous route. In addition to the
TR:TREATMENT_SUMMARY             	RBF probe implantation, renal venous catheter was inserted through the femoral
TR:TREATMENT_SUMMARY             	vein and placed in the left renal vein and secured to the luminal wall with 10-0
TR:TREATMENT_SUMMARY             	nylon. RBF and BP via arterial line were measured by conscious freely moving
TR:TREATMENT_SUMMARY             	rats and recorded on average of every minute for 24 h/day. After 7-10 days of
TR:TREATMENT_SUMMARY             	recovery period, 200 µL of arterial and renal venous blood were sampled and
TR:TREATMENT_SUMMARY             	that blood was replaced from donor rats before and following 7, 14 and 21 days
TR:TREATMENT_SUMMARY             	after the switch in diet from 0.4% (LS) to 4.0% (HS) salt diet (Dyets Inc,
TR:TREATMENT_SUMMARY             	Bethlehem, PA). Overnight urine (18 hours) from the day before the blood draw
TR:TREATMENT_SUMMARY             	was collected on ice. The kidneys were collected either at 14 days of HS (HS14)
TR:TREATMENT_SUMMARY             	or 21 days of HS (HS21). The kidneys of only LS fed SD rats were also collected
TR:TREATMENT_SUMMARY             	for comparison. The collected kidneys (n=5 for each group for metabolomics and
TR:TREATMENT_SUMMARY             	mRNAseq analysis) were dissected to cortex and outer medulla and snap frozen
TR:TREATMENT_SUMMARY             	with liquid nitrogen. Plasma, urine and tissue were stored in -80°C until
TR:TREATMENT_SUMMARY             	further analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Plasma/Urine Metabolite Extraction. Metabolites were extracted from 20 µL of
SP:SAMPLEPREP_SUMMARY            	plasma and 20 µL of urine from each SD rat in the study according to standard
SP:SAMPLEPREP_SUMMARY            	operating procedures in the Mass Spectrometry and Protein Chemistry Service at
SP:SAMPLEPREP_SUMMARY            	The Jackson Laboratory34. Metabolites were extracted using 500 µL of an ice
SP:SAMPLEPREP_SUMMARY            	cold 2:2:1 methanol:acetonitrile:water (MeOH:ACN:H2O) buffer; the sample was
SP:SAMPLEPREP_SUMMARY            	part of the water fraction. Caffeine, 1-napthylamine, and 9-anthracene
SP:SAMPLEPREP_SUMMARY            	carboxylic acid were all added at 0.5 ng/ µL in the extraction buffer as
SP:SAMPLEPREP_SUMMARY            	internal standards. Each sample was then vortexed for 30 seconds on the highest
SP:SAMPLEPREP_SUMMARY            	setting, subject to one minute of mixing with the Tissue Lyser II in pre-chilled
SP:SAMPLEPREP_SUMMARY            	cassettes, and then sonicated at 30 Hz for 5 minutes of 30 seconds on 30 seconds
SP:SAMPLEPREP_SUMMARY            	off in an ice water bath. Samples were then placed in the -20°C freezer
SP:SAMPLEPREP_SUMMARY            	overnight (16 hours) for extraction. Following the extraction, samples were
SP:SAMPLEPREP_SUMMARY            	centrifuged at 21,000 x g at 4°C and supernatant from each metabolite extract
SP:SAMPLEPREP_SUMMARY            	was equally divided into five 2 mL microcentrifuge tubes. Each sample
SP:SAMPLEPREP_SUMMARY            	supernatant was divided into five equal volume aliquots, one for each of the
SP:SAMPLEPREP_SUMMARY            	four modes and the rest to create equal representation pools of all samples, one
SP:SAMPLEPREP_SUMMARY            	for each mode. Each aliquot was then dried down using a vacuum centrifuge for
SP:SAMPLEPREP_SUMMARY            	storage at -80°C until further use. Tissue Metabolite Extraction. Metabolites
SP:SAMPLEPREP_SUMMARY            	were extracted from 20 mg of kidney cortex and medulla from each SD rat in the
SP:SAMPLEPREP_SUMMARY            	study according to standard operating procedures in the Mass Spectrometry and
SP:SAMPLEPREP_SUMMARY            	Protein Chemistry Service at The Jackson Laboratory34 as described for the
SP:SAMPLEPREP_SUMMARY            	plasma and urine samples with slight modification. Metabolites were extracted
SP:SAMPLEPREP_SUMMARY            	using 1000 µL of an ice cold 2:2:1 methanol:acetonitrile:water (MeOH:ACN:H2O)
SP:SAMPLEPREP_SUMMARY            	buffer containing internal standards as above per 20 mg of sample to ensure the
SP:SAMPLEPREP_SUMMARY            	extraction equivalents were normalized. Each sample had a 5 mm stainless steel
SP:SAMPLEPREP_SUMMARY            	bead added, then were pulverized in extraction buffer for two minutes
SP:SAMPLEPREP_SUMMARY            	usingTissue Lyser II. Samples were then placed in the -20°C freezer overnight
SP:SAMPLEPREP_SUMMARY            	(16 hours) for extraction and the supernatant was collected as with the
SP:SAMPLEPREP_SUMMARY            	urine/plasma samples. Each sample supernatant was divided into five equal volume
SP:SAMPLEPREP_SUMMARY            	aliquots, one for each of the four modes and the rest to create equal
SP:SAMPLEPREP_SUMMARY            	representation pools of all samples, one for each mode. Each aliquot was then
SP:SAMPLEPREP_SUMMARY            	dried down using a vacuum centrifuge for storage at -80°C until further use.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	This chromatography method was utilized for all HILIC positive polarity runs in
CH:CHROMATOGRAPHY_SUMMARY        	this study.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Agilent InfinityLab Poroshell 120 HILIC-Z (2.1 x 50 mm; 2.7 micron; #689775-924)
CH:SOLVENT_A                     	10 mM ammonium formate in H2O with 0.1% formic acid (Solvent A2)
CH:SOLVENT_B                     	90% ACN with 10 mM ammonium formate in H2O with 0.1% formic acid (Solvent B2)
CH:FLOW_GRADIENT                 	0-1 minutes at 2% A/98% B, 1-11 minutes from 2% A/98% B to 30% A/70% B, 11-12
CH:FLOW_GRADIENT                 	minutes from 30% A/70% B to 40% A/60% B, 12-16 minutes from 40% A/60% B to 95%
CH:FLOW_GRADIENT                 	A/5% B, was held at 95% A/5% B from 16-18 minutes, 18-20 minutes from 95% A/5% B
CH:FLOW_GRADIENT                 	to 2% A/98% B, and was re-equilibrated from 20-25 minutes at 2% A/98% B
CH:FLOW_RATE                     	0.1 mL/minute
CH:COLUMN_TEMPERATURE            	25C
CH:INTERNAL_STANDARD             	Caffeine, 1-napthylamine, and 9-anthracene carboxylic acid were all added at 0.5
CH:INTERNAL_STANDARD             	ng/ µL in the extraction buffer as internal standards
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	The Jackson Laboratory Mass Spectrometry and Protein Chemistry Lab
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	HILIC positive plasma data: The tandem mass spectrometry RAW data files
MS:MS_COMMENTS                   	(consisting of MS1 and MS2 spectra collected) were analyzed using Thermo
MS:MS_COMMENTS                   	Compound Discoverer (v3.2.0.421). The MS1 and MS2 data was searched against the
MS:MS_COMMENTS                   	Thermo mzCloud database, ChemSpider database, Metabolika Pathways, and mzLogic
MS:MS_COMMENTS                   	predicted composition in the Compound Discoverer workflow.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Area
MS_METABOLITE_DATA_START
Samples	20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos	20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos_rep	20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos	20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos_rep	20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos	20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos_rep	20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos	20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos_rep	20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos	20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos_rep	20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos	20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos_rep	20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos	20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos_rep	20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos	20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos_rep	20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos	20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos_rep	20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos	20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos_rep	20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos	20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos_rep	20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos	20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos_rep	20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos	20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos_rep	20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos	20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos_rep	20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos	20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos_rep	20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos	20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos_rep	20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos	20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos_rep	20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos	20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos_rep	20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos	20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos_rep	20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos	20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos_rep	20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos	20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos_rep	20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos	20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos_rep	20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos	20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos_rep	20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos	20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos_rep	20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos	20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos_rep	20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos	20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos_rep	20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos	20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos_rep	20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos	20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos_rep	20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos	20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos_rep	20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos	20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos_rep	20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos	20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos_rep	20211020_Cowley3_Plasma_6_43-421-LS-A_HILICpos	20211020_Cowley3_Plasma_6_43-421-LS-A_HILICposrep	20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos	20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos_rep	20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos	20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos_rep	20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos	20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos_rep	20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos	20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos_rep	20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos	20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos_rep	20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos	20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos_rep	20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos	20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos_rep	20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos	20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos_rep	20211020_Blank_Cowley3_HILICpos_1	20211020_Blank_Cowley3_HILICpos_2	20211020_Blank_Cowley3_HILICpos_3	20211020_Blank_Cowley3_HILICpos_4	20211020_Blank_Cowley3_HILICpos_5	20211020_Blank_Cowley3_HILICpos_6	20211020_Blank_Cowley3_HILICpos_7	20211020_Blank_Cowley3_HILICpos_8	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_1	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_2	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_3	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_4	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_5	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_6	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_7	20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_8
Factors	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Artery Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS14 | Source:Vein Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Artery Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS21 | Source:Vein Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Artery Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:HS7 | Source:Vein Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Artery Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:LS | Source:Vein Plasma	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a	Treatment:n/a | Source:n/a
Creatinine	2230492978	1012618161	2941324420	1865032318	2411094014	1809222008	1845055039	1157377819	1848705082	1108937146	2207106345	1583118773	1547165642	1205773217	2043393938	1399531523	2273956870	1700519684	1634808757	1006525734	2501792813	1527731559	2657009216	1628644278	2661677445	1617765802	2329875763	1325018385	1901930756	1299567742	2282732612	1203285768	2146542703	1385682527	1698016708	1278188478	2331882367	1693329611	1788756324	827009758.3	2890534638	2274520153	2813306843	1596357287	2204027604	1577216249	2297652512	1768029953	2249846404	1671217396	2161503189	1575907215	1545095246	1003834523	2159962347	1778716461	2167226211	1532112717	1868234733	1181471080	2278482495	1451972822	2803352444	1973034627	2674214987	2048773653	2913977465	2273915108	1974187943	1284041179	2296410734	1536238392	1935849999	1448194205	2115591341	1489188582	1851721682	1177534094	1842806476	1433639644	68815150.16	98379525.56	60064081.53	53683188.06	49511817.01	73480930.49	64065598.53	60015868.45	1328713439	1347687063	1338571632	1311185697	1297926297	1337479494	1291471044	1372857099
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	144227441.9	42725520.37	138639876.6	100394219.2	40972507.07	32133627.15	22644211.09	13296629.78	51670003.46	28744623.83	89743228.93	56914575.65	181008686.5	132041117.9	74139216.3	54805191.16	127674815.2	110408481.5	622261271.9	414948125.1	215252063.6	131726074.8	311323896.7	195333169.6	202226259.1	126261788.5	161350187.9	102087582	851231979.4	646240013.4	82218891.17	40457592.93	94935136.36	74706807.22	449829692.3	323461700.4	155620844.3	128865392.1	259093670.9	115902032	46189906.12	33332509.41	48772715.94	23906065.67	32249166.21	17807429.35	21128784.29	16731560.67	29658280.29	23892145.19	301817663.2	226629285.1	36687794.26	17576348.12	38007121.46	25280443.4	118358941.7	80289712.37	31541425.82	20677101.65	565810933	379429950.9	345105144.3	239958023	1928269327	1487223676	848597697	650573396.5	44967516.75	28887975.29	111793840.7	68268550.55	154311408.4	110366062.5	223685495.2	164841111.9	508538417.3	304696668.9	665317178	570630052.5	2070978.153	2347587.627	1908182.056	2132819.37	2915154.223	2849697.999	3208841.079	3151631.098	97506850.61	98883755.34	98780826.38	89580959.75	88337533.11	93756179.7	96542861.82	103860784.6
Imidazole	588566878.5	230500491.4	231483457.5	148889072.2	428833958.1	300772871.9	517532157	326763146.3	404625015.8	218520351.8	448247048.8	301550204.8	2078653616	1400793230	165300514.1	112246035.5	528284036.2	370361810.2	161876310.8	92880539.64	444211284.7	237506372.6	319267504.8	203687909.9	756882104	445114649.9	276212062.4	145581801.1	423647146.5	357191830.6	938304.1122	832518.4203	38042289.12	25451588.11	470288798.9	329845434.7	510905327.2	364398736.2	64596560.01	13442243.31	307632424.5	235981484.4	452862353.9	245514145.1	257336544.9	185943568.5	275284315.9	205291487.8	205704704.3	142752704.9	318934537.8	210771633.7	62445104.96	30277427.68	500933891.6	382349165.9	437262967	320350236.7	336163331.8	180883015.2	350910444.9	208251520.5	401876799.4	275370263.6	2312002.221	1600327.002	349274685.6	263115257.9	501870566.5	362204861.5	293549160.2	190684745.3	415885094.1	307070969.6	1386638.808	1062365.066	475414508.7	251670672.4	360188168.9	284412199.1	87021.49397	69392.16026	277196.0414	61834.83873	56383.60776	53473.94169	66010.89014	103378.7774	377385864.8	352151535.4	353736950	265253536	343268734.1	359459241.5	362598199.5	353209710.4
Dipropylene glycol dimethyl ether	84394829.1	48403716.84	29898296.56	22375272.43	28857688.39	21930019.23	23594305.16	17717999.27	58847110.58	39616906.69	42655716.02	39383155.2	53555326.98	45842506.02	70309837.49	52787230.57	48822177.03	42407435.34	23110428.53	17625387.67	25906615.65	15928464.68	31342786.86	22518914.52	26150318.75	18058460.44	31485697.07	20620929.25	36098781.19	25925270.58	26029605.35	19063210.38	61220288.31	46991482.08	28248530.79	23277251.16	33049709.16	26634034.29	46446339.56	21528934.68	32234882.79	26111802.6	24485366.47	15977786.74	25307537.77	19493799.09	20954931.07	16974604.99	37767678.93	29340883.21	36633217.75	28444064.96	26617443.06	72372764.77	64314997.03	54472647.86	49116048.37	35361163.48	38978189.16	23817440.88	25485461.92	17453039.75	30847816.12	21791998.52	30221186.88	25576737.71	40214125.63	32873130.35	61288904.66	39515954.08	44459015.48	31705360.84	59170529.45	44362041.63	49208514.24	36705465.98	60187791.76	40043367.21	40724419.98	34671821.79	1797719.09	2997176.738	4198209.709	6093939.843	6286247.071	5562122.941	6414870.737	7762059.499	1536895558	1597477908	1675566130	1663818321	1728129469	1456587776	1542826385	1639988870
Linoleamide	94897991.8	36523410.35	159942640.5	111361953.7	226152685.3	136638034.6	1340569095	911311141.1	231556763.8	124242306.1	167669205.4	70655474.99	1128929956	780857172.4	62242932.13	42625507.24	125027243.7	103503167.8	681506460.3	395039543.1	820458399.9	448844290.4	63290534.18	43875091.39	407204500.8	232962778	552900131.8	304679228.9	269365017.5	186027548.2	536905963.3	270944189.6	155052265.3	118349445.2	97142671.57	69084372.66	328751260.4	246873630.8	247543328.1	102213981.9	162660291.7	134435572.9	689935730.8	341053418.4	131252253.2	88556049.65	110776156.8	86574710.82	34167913.48	24316985.56	350496419.2	239867826.8	623958222.1	340608449.5	180333135.8	134112666.2	196110151.1	127125259.7	66845771.25	41176502.73	131292430.9	87262117.04	1227586176	767562257.9	11410260.05	10094118.28	631875723.5	454297368.7	67124471.31	40345081.17	171522635.5	101502168.8	287601089.6	185619922.3	273580800.7	181766736.4	648058802	355046231	2465810158	1928587219	298051.2184	289535.2031	325684.1065	406417.8083	466345.7769	471119.5732	602269.681	660681.4856	191066690.3	195083175.7	191284357.8	188859996.9	191943602	178034278.8	190793863.8	202542433.5
octadec-9-ynoic acid	93843438.64	35853026.23	163313263.6	115311695.2	228157549.4	137883339.1	1336411157	909272982	231604339.4	124563496.8	169905454.8	98309008.74	1131808521	782686219	62569361.8	42776534.97	129621332.7	107385106	680471935.7	393900919.4	819571838.7	447789417.4	61536475.54	42302513.75	405052420.9	231623764.5	549252148.9	302114847.8	267018638.7	184541116.2	540240429.3	272558340.7	150361011.3	113163194.3	97362261.32	69206877.71	327071714.1	245325854.4	246325942.8	101780018.8	156912966.5	126996921.2	692445439.2	341878043.1	129123748.7	86799447.64	110303687.1	86168962.77	34172609.79	24645537.42	346608281.1	241401109	625878185.7	344827287.9	175478986.1	132698214	190698696	123284120.4	67294518.49	41318743.37	123515248.3	82345111.3	1226122523	766255107.5	11506908.35	10327612.07	632649696.1	454711952.7	65736045.1	39438163.66	172423779.4	102291745.9	290421679.2	187902245.9	274649725.7	182087899.2	645833649.1	354177917.7	2453608445	1918014830	309591.8358	300518.7881	337747.1904	420620.6962	483222.6419	487166.7554	621826.5293	670301.9839	190542436	195113421.3	190912386.4	188976705.8	191749533.3	177924225.5	190541154.4	201976654.9
Pivagabine	44877705.73	3296308.396	15041658.38	4510547.155	36000073.37	4038390.137	912205940.6	2680530.708	53118392.81	5307130.493	20864458.57	3859069.767	407961800.5	13085275.52	23842975.1	3435840.817	9783504.751	7143605.836	1740658575	9188906.724	905780732.3	8506823.426	33612343.22	4121077.654	50185916.64	3925798.844	43559413.58	5324700.629	56832792.16	4882294.932	1093738829	9791830.363	12690102.63	13884616.35	18299057.8	3377260.159	142490785.7	4291428.657	47433461.03	3241582.276	13181136.13	11597775	1123485696	11786394.25	18774867.16	6271297.821	17050366.96	3889262.759	10329173.89	21987581.86	23381074.08	3569797.838	991538344.9	15962068.88	9644366.099	8341378.377	12735274.79	8233962.88	12659462.87	5568354.394	12157879.93	6403950.883	1552900814	14483620.86	12946214.2	19096106.1	99481554.84	5695617.927	28593619.21	3795558.221	343759187.9	3189834.941	32656337.41	4072833.626	92837116.56	6258711.184	425308192.2	5746663.758	746302458	648904170.3	19252603.73	18038803.93	17031371.88	17925476.36	16605966.92	17778066.19	16268743.93	18957219.02	198027627.6	211216203.6	235249171.9	252641363.8	245396744.4	225853208.1	247812166	166315122.4
L-Phenylalanine	956264459.5	241266993.9	780365431.6	724451697.3	1579209788	569296819.8	647609845.1	308527764.6	968996497.5	511306921.6	1048857620	568229448.3	978184319.7	623419927.3	642982926.7	533719245.1	1052172665	660282982.2	1187441438	505400004.7	1328821898	536005104.9	1341569346	443949291.3	1100850463	487221522.1	1091749934	365515831.6	1089486724	560969601.6	844851391.1	335498034.4	1243011413	595457999.8	1166879078	744967000.6	1125738328	741356435.3	918106705.1	256943477.9	900980855.2	896364933.3	1230236786	522908841.6	971113806.3	601419461.1	865818442.8	521407570.6	909683988.1	487929376.2	1144226524	595197236.7	900716957.3	555711755.8	1481879328	758099452.4	1135285532	467989437.3	1066431049	405154321.4	1015237579	300717996	1316680606	691921222	1186169505	604621867.5	1611912241	886827580.8	919807070.8	427675500.7	1116966022	490004784	971645537.5	563064578.4	1274900414	679888179.8	784618066.4	493495592.6	1205409533	850037574.8	175706.772	1310260.698	200474.5176	172870.8312	148506.8319	197629.1802	738900.6761	143679.1699	745654906	676944094.9	712840090.9	693582921.4	778886025.4	612915958.6	645801383.2	810520112
5-Methyl-2-octyl-3(2H)-furanone	118756385.7	51492584.96	137324139.4	93145704.57	43082806.9	30832559.17	24502062.11	18346140.94	53871789.62	32062528.42	70203553.91	27262649.7	126337054.9	91868623.28	60019898.28	43443942.12	78350509.86	64964063.54	379384391	232883566.5	174156328.4	101449324.5	233808203.4	149058405.8	141867680.2	91221954.72	148978722.4	86293857.61	546210840.4	411111478.1	72958556.96	43358326.68	122454441.8	86753089.59	257935181.5	200953510	128776593.5	106794005.5	163875273.6	76744971.28	52492442.38	39613484.66	44907670.56	21919409.95	27498155.62	20645802.5	22042976.81	18104159.9	29358101.72	21758356.86	231876656.4	171117688	32864378.61	22506446.61	34274935.65	27477406.59	100141177.4	68575011.27	25371418.03	16048577.01	476541893.4	304981936.8	308734049.9	214204732.3	1518632979	1216488736	778473964.8	606500196	50384139.04	31865687.94	101439868	67876356.74	129122999.7	93682634.29	164121099.4	125523846	279300433.3	160975373.8	508677840.9	414614089	2345848.42	3866104.442	3251647.539	3869562.309	4285003.489	4535169.179	5089559.249	5930623.297	77838488.38	79146155.56	87826861.01	80292624.69	79463129.61	79197797.35	79591923	81110204.24
Cyprodenate	107036060.3	45616250.29	124205493	84464162.9	34887635.98	25176104.54	18040003.7	14317053.32	45180068.38	26940288.69	61560695.49	20984725.15	112831949.8	82323732.31	52560391.74	38133871.58	69086733.04	57500182.98	350086441.3	214309493.8	161467042.8	93160368.36	217676148.7	138353276.8	130646476	84104712.07	138361650.2	79860110.89	511274714.2	382135528.7	66246305.67	39611359.6	114136847.4	80808460.36	238989307	185093235.3	119004261.9	99597281.53	149492105.9	70535958.24	45097872.4	33923310.99	37287742.72	16474524.71	20440574.72	15292659.91	15594978.29	13016623.32	23749574.79	17407722.8	213907570.4	157614147.8	27133212.38	18236346.61	27509584.9	21783072.96	90281556.12	61170598.7	19323025.04	12344064.91	448775812.2	286254241.1	289552526.7	199690774.3	1433152720	1145181179	726790707.3	567416852.4	45664033.86	28760974.47	93590685.41	63006945.83	119263755.9	86019686.06	151526394.8	116848569.6	259177434.6	148476151.9	471843231.7	385353853.2	2612858.261	2939124.411	2403928.046	2949641.62	3301891.932	3653717.818	4108933.1	4595000.527	70306001.45	71573838.09	79281391.16	71801136.4	71570190.67	71872949.22	71920089.19	73087540.74
L-Norleucine	1001183295	332641039.4	968737456.9	510104819.4	791250912.6	22313511.06	533328822.6	237789493.6	594313701.4	341718738.6	1002616068	638802368.3	893755535.4	594699593.8	681913321.4	393196077.8	816732367.7	529090755.8	921294766.9	517530160.8	1670909105	774812925.5	612637635.9	332193685.9	834982812.6	421921481.9	665228917.1	411299964.2	739608009	432618301	860811519.6	430779944.2	1348467483	868052014	793600126.4	543227496.6	748093975.8	563216426	681567837.4	246875115.7	1224604995	741339859.5	1486895736	907693536.5	986045862.3	674955501.1	824461908.2	567779729.4	591149310.6	416643050.4	1041078828	654747977.8	1179485551	738551060.3	1109057895	732102758.5	850088865.9	508564643.1	714432690.3	424930863	893433887	519713773.2	965070793.7	549512805.3	1172182316	730296436.3	766817680.3	540641204.5	713132231.6	399169401.5	742223137.2	397390967.7	645896790.5	420524513	1120771562	613315323.5	645605617.1	417269656.7	594273781.7	448204624.3	98576.21615	213114.8711	1241403.972	100979.8813	89862.29891	263347.7522	270164.3834	200065.6731	77946176.42	854593189.7	819829751.4	757444165.5	633713014.2	637951950	564789183.1	478511262.1
DL-Tryptophan	691823102.4	176714903.8	630563315.2	362558311.9	804361220.7	449491670.5	523270686.7	229688494.8	839145573.4	371491227.8	700794104.5	379997422.7	932872126.8	502035532.1	821649350.8	393419105.3	947679855.9	468130878.9	1185592170	420553678.8	1069555842	373442090.3	598165956.3	263777406.7	892095971.5	352568414.6	949364730	364744352.1	822053783.7	393664394.5	464308771.1	171429898.3	833042453.2	327025692.1	962725862	547109070.5	922234616.8	582495305.5	961615482.6	258909523.4	944074050.3	546035356.4	886266665.7	341963226.9	923543572.6	508990361.6	804305174.6	430708764.3	826992137.1	589266738	981213856	481632191.5	585408505.7	316889767.6	825434299.3	527635765	907262615.3	462867250.7	998982375.7	451032483.4	790147947.5	371282236.6	837598464.7	438590793.2	745139569.6	470691278.5	559362494.7	493543692.4	735573818.4	302247123.3	1096050221	425877751.4	591659356.1	353208363.8	1305181115	837773766.4	921738510	416617030.4	897090696.4	663689725.2	506066.9644	366070.3228	299174.0865	305971.5858	310172.7954	300614.3773	318988.3893	440655.2805	599200298.7	551446025.9	592355007.5	757869186	526653220.9	601849849.6	635638532.9	554253642.1
2'-Deoxycytidine	799346309	357197663.4	967388194.1	677505713.6	910493224.7	642915299.6	704511900.9	496603020.2	804351694.4	519642404	997487005.6	776311037.2	849185189.7	639238764.2	941819242.2	568501055.6	1051662706	792176371.7	941071440.5	588300803	762351626	432888427.7	984151801.2	591369283.7	922382828.3	646667275.4	772732926.6	448042517	839772024.9	691158784.2	989044112.2	572665329.1	880921598.8	602614230.2	1039772290	766904227.5	1128560478	745827313.4	804542029.6	369724506.2	958217705.1	719072526	926467645.3	613239339	786586415.8	556649543.4	852492940.8	711008304.3	910781008.5	722439453.1	1075918563	842013952.5	746251994.6	473844839.4	910979737.6	621674168.8	918779003.3	664995816.9	968734746.5	544912305.4	602739165.4	453442665.7	1023782341	710145586.3	944918403.8	752892129.6	1034023617	818519194.7	715132033.9	504173974.8	895706328.5	574714191	978694117.9	740789702.2	902444190	676532493.7	1024463446	586884784.7	1053122329	788524140	486547.908	696174.6377	626051.7362	586337.3105	541439.4618	766190.6272	733052.9795	791531.7471	631495569.7	614590380.2	621053782.5	541492961.5	596043338.9	594857520.7	604886918.5	655042074.5
trans-3-Indoleacrylic acid	585150063.2	155571056.2	580881570.6	346028759.3	680733456.8	397069413.2	446768383.9	208275292.1	692611467	328200247.3	623736800.8	356057362.7	778203176.4	424883812.8	686735622.5	344486251.3	787844068.2	393989923.7	998582146.4	364018369.9	910833766.6	311612363.6	500307828.9	232048877.3	766065155.3	304569543.1	797501375.1	318369703.3	684508473.4	354506940.2	442989911.2	165945535.5	677053252.1	266029913.3	802353394.9	466832147.2	775015795.6	502115173	789870567.7	233326889.8	842592828.8	129814308.8	791598401.1	322815035	757134614.4	429947254.5	684736872.9	368804867.4	690786373.2	527925834.6	811974602.3	413870924.4	550745333.7	296577505	688411077.2	451517997.8	749325699.3	403949571.4	844387900.5	398976993.9	671583705.9	325881246.7	720268451.2	382054233.5	682503932	421019720.2	464902245	428244366	611594883.4	264509321.5	927282833.8	368102346.3	497752086.8	306759868.7	1096048986	724343853.4	765853757.3	363252850.9	739294597.2	574471517.5	261896.8317	143313.9665	93161.65718	95311.11698	96656.79756	93077.70356	99253.60536	190836.7344	512845972.7	470256089.9	494476077	661351008	438009903.8	510297671	534789431.2	481924545
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine	39747008.89	13072457.47	17402500.9	18650569.7	37375297.84	29869228.58	521977905	555176732.7	30585111.34	21090049.63	11240213.49	15914765.65	264288964.5	238748374.8	12831861.44	12889444.06	5794007.575	3769834.538	990133609.2	779429485.4	524635612.4	464630034.8	19511971.61	13421595.44	18857906.9	31920579.13	24919951.57	16327437.84	31185736.87	26573454.47	645928068.6	462774590.1	7239105.907	7918811.584	4579886.427	11816110.23	78357612.06	75454755.89	46309063.3	20001963.21	4937672.59	8688112.677	656713401.9	547210151.6	27772304.84	27014466.7	9403728.282	23300953.52	4714425.845	13302120.42	23882314.61	24041047.31	561598036.5	521691950.2	5494457.799	5376626.905	7152328.841	5228740.716	18556290.08	6557765.489	6172814.613	6808661.829	829529759	768187616.3	7518713.983	13100609.81	60566499.09	78496414.23	10867137.53	20992715.61	203284312.5	165118414	17402066.84	19356917.23	51842017.11	86118387.04	135829027.3	282092140.3	422380737.6	369366654.8	10111664.39	10140573.79	9718587.93	10317493.66	8906214.62	9785408.375	9234654.083	10165073.88	113317280	115357590.1	120715515.2	133016919.9	136387854.8	126134673.4	136582980.8	90043597.43
Cytosine	696514854.3	328566004.7	833797013.5	540935499.4	744058572.9	523552353.3	584320079.1	415295107.2	568687938.5	370683219.4	881833768.7	654633217.6	664957655.8	502886666.9	841852052.1	486259013.4	779309874	595869671	678418915.3	450127755.1	638779274.7	380991213.6	799098949.7	502953401.1	705572951.2	479233368.7	581058345.3	365771977.3	628142097.6	486014030.3	694207371.3	514737615.7	578508235.1	490428640.5	794975126.7	586805170.7	782895870.5	577244461.6	582286583.1	297263779.3	807933201.9	600423337.5	839897828.8	538706331.3	648954264.5	431815798.9	679484039.8	555692590.2	644773646.7	510255903.4	915077321.9	661294337.8	666864255.7	480332739.6	771645715.7	551916648.5	745300136.4	533589412	691882988.9	448155729.8	575370350.3	396107609.3	872820007.6	609507641.5	796815147.5	620785458.7	820688838.6	659354936.4	552100795.6	387091773	726339430.4	478769448.6	837416562	594335682.6	722743664.3	527408974.5	606248680.8	420775093.3	818485152.5	594797662.8	493524.8995	1388868.206	882811.8573	983420.7512	886419.0464	1268689.866	1193778.02	1520985.145	510061890.5	510719138.1	543891844.1	486934997.5	468141676.9	462064130.7	618604311.8	465336750.6
Isopropyl catechol	25809240.09	2498733.369	8235975.471	3165307.221	19949447.74	2421275.399	501017360.6	41717845.79	27626968.92	1999335.356	11554531.08	2960602.775	228176515	4525213.206	12235032.2	1353752.976	5504048.042	3469251.101	927943095.3	5101419.987	520387093.3	4501942.106	19153231.95	2704264.634	38206337.3	2253956.589	23677808.99	2580246.269	28652736.45	2073755.857	611482667.8	5259932.466	7321738.712	7999933.385	11515409.65	10805017.38	73249656.15	2431194.846	26033689.35	2526606.19	5262709.083	5460152.901	636497475.2	5854881.11	11124462.38	2521771.816	9600739.642	2213941.819	4066791.57	12305175.69	13055395.37	2352072.424	577207022.1	5829335.105	5380225.083	5323367.559	7387718.527	5387577.244	6524505.948	3351606.067	6489528.662	4724740.278	866998704.1	8064738.129	7549113.745	13014979.05	57415400.01	58943575.39	20451861.21	2173972.464	184006151.4	10994552.9	17058282.84	2524001.237	76012202.42	2581469.027	125784737	12008561.13	384814067.3	335877702.4	10905567.42	10520668.89	9974963.446	10242881.55	8851871.789	9607550.861	8654561.26	9356399.043	112252391.1	120077053.9	123107103.3	132758456.7	132284529	119688589	125860794.2	108253789.6
L-Isoleucine	520749814.4	146600986.9	505692786.2	310849120.4	477890971.3	319720225.2	274251272.1	155873102.9	552719089	289544452.8	459308709.4	320564880.6	563234950	365126231.8	408932718.3	257316255.1	632273679.6	423140659.1	612737652.9	342519381.9	832525682.2	381448714.2	375869607.7	193207488.8	571191485.4	276516830.1	488974398.2	215210632.2	493782116.9	285121116.6	397093083	206882143.7	640390385.9	328953365.4	505947131.3	342061191.9	523430733.5	353776706.3	451510332.5	174183921.7	583471418.2	429355444.7	715280289.5	354540760.8	571775785.7	358252736.5	498559520.1	318719640.6	455171701.2	299368302	536006533.5	304600610.6	564099297.8	336871744.8	535376579.7	379300775.3	516482024.1	253130516.1	543042911.7	267351545.3	378522182.7	171254721.2	471376607.8	277758180.9	498113819.2	448644193.4	416380832.5	284144904.1	452016802.2	230347215	424740208.6	246203872.5	444717844.2	304405810.9	693689039	430634167.6	626753997.1	256372495.8	674148633.9	355017028.1	117407.3258	121327.4352	1285575.325	1217185.864	104322.0595	124864.1795	107593.9145	191244.3062	453686983.6	504236576.6	453084484.7	435191983.3	469491259.3	450032568.8	495463809.2	457048607.4
Triisopropanolamine	282999281.4	102043704.1	485636820.9	252415940.7	387392345.5	271116007.5	136775802.7	118963442.6	868382301.9	496059999.5	100959007.2	68076111.49	230824874	176112023.1	110993340.9	58685329.94	141213757.7	104072046.3	535320071	220379183.7	472094114.4	234472036.1	399890794	248183069.8	454148753.1	271962667.5	504145047.3	258823746.1	295877360.9	196326391.8	89090361.36	43593723.29	36929431.83	24648806.06	61651322.32	46515143.38	171341282	129910161.7	179581853.7	102152387.9	734960074.4	489975979.8	164356509.6	99701315.62	159207788.2	109605147.5	493177316.5	361311833	469084517.5	331542177.9	237855667.8	177989099.5	501453243	309683425.2	164738538.3	119109694	135162105.6	79685866.74	88166764.02	49528928.46	168513996.5	94669708.71	146023226.2	88629969.77	436444260.7	308606957.9	247714000.1	172888454	592368711.7	399484279.5	118368451.7	71324896.48	92414328.73	68643367.2	100335913.5	63521294.51	134384592.1	82784513.81	194347478.1	165290744.3	2385855.241	3014384.382	3798905.837	2946210.291	1854273.832	3274624.257	2283897.42	3113781.923	216894081.3	207501448.8	199837421.7	189894980.8	158660845.2	211772236.2	204171108.6	223945413.8
NP-011548	49482690.49	19094837.81	70096172.87	47590245.11	92845463.38	60621957.21	712844724.3	486859912.6	94213157.5	53603220.36	81341210.98	23680198.55	435206523.8	284867007.7	20659610.46	19880066.65	44120120.47	36152950.24	452641948.2	275349825.4	454006834.7	244590193	25617960.16	12730985.73	91729418.97	54788850.09	128754336.9	69747015.86	86382396.22	60898294.66	336856591.8	176194833	47503475.05	39508691.76	46124432.45	30174168.48	57089951.8	41627740.88	94409730.05	40539792.46	63001279.19	51564488.46	554205900.2	288467010.7	44993748.6	31002441.8	58168198.92	41464163.33	28500855.9	20085257.75	107662047.2	73819427.22	426790390.1	280759043.6	59146543.32	44407204.42	49987612.36	31826114.55	29455182.15	18880324.48	28041806.2	17948481.66	687289707	422803635.3	56039833.62	36539932.04	218478779	151767526.9	21235324.67	11576572.69	48086193.11	38508570.64	92632825.84	63258295.88	105139404.3	70219980.98	315286525.8	168914296.9	836593161.9	691261066.4	6787835.746	4181609.431	3416942.228	3347302.394	3301369.284	2665797.729	2357165.591	2559347.577	158595938.7	147843412.2	159582260.5	150740815	147619981.3	155748039.1	154833246.4	156716338.6
NP-014287	29270109.3	12182700.69	25531673.41	16955637.17	49515025.96	32936678.82	562945397.1	386558639.7	67397823.24	37238996.78	33831393.14	20091158.94	427866591	297111220	22284674.23	15571127.93	21422069.68	19180339.55	316256948	195370610.1	339990567.2	184658624.3	15361056.22	9991998.616	85597461.11	45452768.8	114632950	60698116.25	79626967.69	51710869.07	306735872.4	174494692.1	50791933.19	26228648.81	31816442.91	19954966.97	55433675.61	36913264.19	67021177.21	27524900.25	34812615.7	13704491.62	356015923.7	172721504	30323897.27	19217795.21	22782750.64	17209981.34	21674222.74	15612617.22	58338630.42	40026713.89	308624978.5	191021720.6	35288983.62	24075109.89	18467412.87	11932912.28	24485454.76	14570392.25	10886156.54	8465781.098	566213268	346561931.7	21279570.09	16509651.05	188268867.4	135147420.2	15500483.12	7891913.481	34899977.56	20863826.3	56312870.27	37439690.05	115242171.2	78512053.31	321985454.8	179019078	934663222.3	721220267	3403647.823	3552716.088	3117329.324	3009985.545	3104488.577	2533552.326	2725852.881	2875119.72	73039956.52	68027538.86	60741147.39	62921308.08	59840455.13	64645695.54	71715665.05	72401357.83
Oleamide	236502878.7	98945647.13	252215335.7	196527082.4	119469422.9	80979163.68	222154318.8	197898553.4	143014313.9	89689177.34	218960046.6	121542846.9	156017996.2	139563995.2	208065047.6	150362681.2	300004602.4	261066050.4	133569731.3	95510607.83	213359472.9	132201390.7	168762734.1	124228773.5	257658414.3	172140134.3	314432470.3	201050350.4	101744442.4	84361631.53	172013308.2	92824127.73	428665092.6	332836758.2	81939200.37	55399429.41	395824267.1	324063822.8	109467164.1	54481873.24	465452603.3	384488142.4	258504097	143730346.6	360937541.8	246591335.3	222060588	174706911.8	155351811.1	112057123.3	246409636	182957166.3	162123085.7	95647650.53	534474060.9	418603858.3	475422105.4	320091726.2	262276108.6	159634775.4	258471139.3	175127558.5	401869055.4	266781330.8	4236308.425	3230325.003	113983647.5	94999960.63	197007644.5	138077620.9	175331315.3	111721900.8	201112666.6	136577834	34322534.78	25289547.73	151292188.3	95802256.12	201103623.2	160635289.6	170775.1725	175614.0354	377582.3341	312396.0816	409174.7704	474789.2523	693141.9969	845829.0687	156296072.3	159005436.4	157383450.9	180147549.4	193767946.2	120695223.7	140663687.1	179935676.1
N-(tert-Butoxycarbonyl)-L-leucine	238361753	64441344.2	308711463.7	180600012.8	303569472.3	193376119.9	272159975.6	164348095.3	177464551.8	117231411.1	302650070.8	197144735.5	251064683.6	159144740.9	189449694.4	117761751.5	253301106.3	177937435	328788111.9	170276577.9	527549748.2	233527396.7	295275749.1	208732442.7	646637143.4	355142559.3	337405454.7	178709889	437492626.6	288217786	244626542.4	109491072.2	417954337.2	257236583.3	457174954.2	331930575.5	541410596.5	385752949	197874912.9	65124231.6	231103541.3	223522718.1	641692353.8	363006708	207677927.7	141663787.4	230171335.1	138419732.4	281927389.2	175836176.2	310793803.3	168391206.9	330229324.9	210386084.7	223365675.7	161209206.6	231740935.5	132119613.4	170967731.7	97619522.64	258849685.4	139880479.5	210208231.8	132762513.1	599322374.9	429353123.9	345961411	256214629.7	276458236.2	163550227.2	305707436	168356058.7	278219379.5	188501750.2	413189458.2	216913211.1	335886121	182876729.9	146539431.4	101425902	1343772.045	582598.7123	553080.8651	442480.6488	225764.5036	434789.1987	443286.6	457481.8793	185761712.6	184756841.8	164066107.6	151354273.8	158552346.9	167547705.8	163265649.7	201056465.3
Bis(methylbenzylidene)sorbitol	495350502.3	169089076.2	592849921.6	359224758.3	416631164.3	251598932.7	362802911.7	260684276.1	541488509.5	291323776.7	521565626.2	323356343.7	447943150.2	314540583.5	440840742.7	282833503.1	547081246.2	418330311.3	422902697	249266762.4	220541455.3	110968175.2	231249495.4	138876517.6	281845826.8	160736320.4	280893535	155571592.8	247666335	171084294.8	252912248.4	120917803	269590824.9	188029937.1	229125801.6	160341029.2	309667027.5	235972942	201905949.9	79923312.46	536124242.7	388587337.6	435543254.4	226357078.9	449237457.8	271782893.8	365709937.9	281062864.2	539785390.4	352040676.5	561074668.6	360971659.8	430902203.7	253087076.8	509036151.5	356585910.9	508466932.4	282651082.6	443969865	241949955.7	183579043.3	119683745.3	222679619.2	145270511.1	255760109	198597396.9	188461103.7	128321367.8	276099376	143437169	242097608.2	153103656.1	225875097.4	151793382.6	214483526	139614098.5	222548814.2	117860746.3	257691307.5	205082193.9	68541121.25	61562370.5	62839003.71	61994719.02	52372909.53	68867523.61	63511843.76	62342034.87	266994670.8	265506516.7	268779443.7	259377320	241015097.8	264939487.7	267380793.2	272461152.1
3-Methylsulfolene	217613836.1	41396210.28	222920815.1	107503971.1	288879203.2	173596830	89594230.43	41695975.76	441022134	187238357.7	200914846.9	80958763.21	432872479.9	264101698.7	308208722	155356882.1	526666970.7	283928933.3	376648314.8	168805580.3	368713392.7	134386522.7	193574781.5	92443736.56	502389733.5	211114473.4	434351854.3	155690465.4	341820167.3	219859779.6	126605764.9	39914572.68	391835973.3	243938196.3	400603693.6	233787724.5	454222294.4	319343702.7	635212473.7	119818184.9	314019463.5	227931989.8	312616344.1	127092331.2	312235474.4	186856436.1	400092502.6	252206250.2	438988304.2	247523644.3	317695476.1	160405020.6	257373237.6	145503236.4	399803008	239401536.6	405747992.8	188345765.1	345299484.6	132562569.4	382795057.8	133202678.6	238865436	128763103.2	421867043.8	269854153.6	285583727	164377770.6	499716085.8	244311267.9	415481346.7	187530734.8	333234582.4	193233657.9	623733133.1	375144179.5	658169273.5	269784394	396558231.9	253849848.4	98338.28308	87479.78549	87787.64555	90726.68843	88759.98067	89978.63453	99948.66975	116367.0025	383704752.5	318293242.7	375777928.5	376440134.9	377561858.5	402166804.4	428941099.4	273450161.2
Nudifloramide	366595324.3	162980549.7	8139307.239	7702527.965	235799105.4	176750874.3	214946325.7	165060380.8	225450580.3	144812531.4	244037926.5	195470279.3	195144533.3	153503593.2	282343924.8	222873921.8	6819295.794	4911330.653	261517295.4	159158128.3	228983940.8	137519647	336612557.7	230833888.8	2309369.088	2199307.029	341717946.5	217442139.6	113411482.3	78822320.99	273652266.8	165180075.8	202281626.1	158338355.9	98652351.15	77824012.92	2473843.508	2092834.265	366324591.6	161526634.2	4914083.46	5962543.413	370089940.7	257393532.7	331376076.6	251452899.6	237138380.7	181637941.4	423395846.3	358211829.7	258742304.7	193559112.5	232744666.5	178754612.8	4576798.555	4353215.796	486346957.5	325042011.7	317469623.9	221457058.6	5556500.853	7040267.277	508099370	414887499.2	470983805.1	361732216.1	335188030.2	266193673.7	32649184.43	214339280.9	4299176.855	2736451.529	217166304.9	187734309.9	438585856.4	325724110.1	362297468.3	257953349.1	520434541.5	420315795.3	1789342.277	2385694.071	1895248.213	2084175	2105371.351	2161180.099	2317435.113	2588348.284	152767663.7	144790426.9	145258147.7	152260539.5	138642676.4	139191178.6	153381699.1	152713004.7
Benzoxazolone	368747093.3	162112592.9	8183144.461	7733721.977	235885227.9	176431506.1	216932386.7	165850224.7	226172812.6	144632839	245304017.4	195624398.8	195492218.4	153790197.8	284581269.4	223432730.1	6839235.691	4921412.003	264104578	159950105.3	230418520.9	137465012.7	337516427.7	229592670.7	2340558.078	2191477.708	344120361.1	217861463.1	114278306.1	79372402.16	274261484.1	164444706.2	202916365	157939613.2	99565674.22	78266639.81	2497932.91	2081196.044	368739208.6	162160629.9	4948120.934	6015315.215	371987917.1	256843526.3	332304531.5	250334838	237551412.8	181219035.9	427118047	359960922.5	260549253.4	194236439.5	233494750.2	178797454.4	4615415.029	4373887.586	487855552.6	323798032.2	319655278.5	222231999.4	5602352.142	7096553.487	508736735	412903371.5	473336787.1	361754696	336708009.2	266671944.9	329701948.9	214712529.8	4325560.025	2804073.076	217420656.4	187524020	439549105.6	325505396.3	364775876.8	258433685.2	521763680.7	421221442.2	1736457.856	2332716.698	1853889.124	2004542.722	2048470.739	1964724.929	2228644.345	2530288.006	153784692.6	145293141.9	145601219.3	152547010.6	138589696.1	140110717.7	154141645	153393044.7
L-(-)-Methionine	171609666.1	34290965.77	177572451.6	87411454.38	242135894.4	148959092.8	79352208.53	36808121	437394390.7	186116581.2	162251789.3	65241077.77	359782752	225269469.1	268226314.9	135658375.3	480733106.1	252130202.9	358604020.4	156383688.4	292761951.7	107238015.1	164476965.1	78224953.98	451476619.1	185149771.6	398520204.6	143127612.7	288522051.2	209342832.5	103223901.8	33576675.19	324201823.5	203696908.1	366464119.1	221566379.7	388088714	297140035	631532995.7	116812150.1	243832156.4	180985228.5	251813149.6	103697399.2	256383414	154058240.8	339860610.6	210344213.7	408703327	233068468.4	253715412	127835203.3	206951970.6	118582159	329374069.9	194857292.2	336242548.1	156525857.2	306086003.4	118379247.2	300774712.2	105210019.4	194921233.6	103012048.4	350082134.9	219850192	234561943.9	130722385.9	432158702.5	221959226.8	356735224.3	158709619.4	283982892	164189189	531540335.4	330188981.6	641466460.9	266862129.3	391848701.4	253075751.4	42006.81804	38305.75425	39423.15739	41986.90899	42552.06599	45155.5867	52827.57407	72728.48807	300347690.6	254787866.2	307234835.6	315444153.8	329091812.9	362630035.5	411379989.7	99467056.96
2-(Diethoxymethyl)furan	419674217.1	147385407.8	477714340.4	291507395.7	358611405.5	220536642.7	299823341	225904852.4	429483607	233894969.2	419675720.3	258377367.3	356618134.6	255821576.5	348369082.3	228595843.7	429904520.9	328149980.6	372064678.6	229810325.2	195067663.6	108234314	192069877.9	117450555.8	222953569.9	125699240.6	224168467.4	122274980.3	199208707.7	136714959.4	221995463	114049249	215880252	150430456.8	186219640.3	130062265.5	239887596.5	189824966.6	192899106.8	75166219.56	427075107.3	305738672.8	364128080.4	208576991.8	389155702.6	238563690.6	333516642.2	253200140.7	427402535	277588834.1	457158005.1	291453495	346021605	215402612.1	408351489.9	287847148.6	407765816.7	229719809.5	368555130.1	204919630.7	147737705.6	98029804.45	207146134.5	145136446.3	211124482.4	171495777.7	205846326.4	148169816.6	218931746.1	113576242	197984377.4	121743007.6	188557650.6	131236294.8	180527393.2	124134077.6	177236681.6	100680505.1	216481063.1	172869543.2	54696312.22	50938275.22	50612514.02	50745757.67	45774457.25	56644030.23	48546772.07	49948652.99	219277623.8	219450719.4	226058926.2	213302953.1	204422392.4	218426890.9	223846285.8	222043790.3
D-(+)-Proline	203368126.8	110319250	230149581	193525248.1	175600619.8	145136025.5	130195232.6	102334852	244388238.6	172298476.4	138101802.2	114700971.5	257562361.5	187517659.9	197801439.7	167027097.5	335683248.7	277660449.4	228443473	178611198	310622245.7	211573766.7	8640947.394	98288982.69	273399888.5	201275676.4	241822646.2	160028668	170148027.4	142535304.3	102100938.6	68863102.81	260405716.3	224121494.1	145684251.7	126921488.6	256738307.3	224413507.9	239417119.6	146083636.7	234016527.1	208391795.1	268358881	186430250.3	226278537.9	247395334.3	275085655.5	247333090.8	223681923.3	196709062.5	172981528.4	143965394	255473000.8	161797498.6	263343626.6	240820596.7	269960075.1	208237116.4	221540439.6	157289142.7	328125199	211913472.6	158182686	128808095.5	362925100.5	305914253.7	145491033.7	139228354.6	243916924	184258359.4	224024268.6	179365572.5	154597884.5	115479896.9	445337364	339040986.2	277295654.7	198241562.8	187183738	180133370.2	331603.3577	980025.7966	632007.523	822927.0456	593347.5519	1161745.291	1068679.114	1079379.537	445923122.2	441503406.6	461446300.7	456864788.6	375413056.8	434772858.8	455886687.8	464754086.9
2-(3-phenylpropyl)oxolane	31188122.14	12773616.98	30724629.15	21139418.22	10869775.39	7748434.46	4825884.84	4385409.509	12131514.88	7471112.763	21262458.55	11547038.05	46296868.91	32256498.52	17244304.14	11706972.07	32454606.48	28330009.46	163044633.8	106668005.5	52600376.59	30886408.53	77828140.91	50585107.96	53202999.71	34167414.62	35478588.36	22278262.22	233422159.9	170848396.2	16386191.22	8969311.556	25263396.35	19876006.35	116776327.7	81487409.33	34244516.25	25745590.67	67687765.55	26827640.04	10676986.9	7213235.787	11226431.11	5901720.34	7435726.874	5224938.407	7000135.23	5444243.481	7808370.244	5579846.475	74590323.14	52862110.87	6922384.582	4515151.552	7744379.002	5930155.791	27712507.49	18270299.87	7257607.706	4267698.401	141622539.3	87659009.39	80036977.7	50979447.73	468309857.9	368474319.6	205488516.1	154859097	11317029	6449408.693	21415624.76	14682052.53	33714891.5	23814259.45	56356005.21	39499115.91	129115714.9	77911333.7	159697622.9	136931212.6	479222.2724	508949.6236	412581.7494	482979.3288	544007.4275	535505.9231	584974.7748	652908.8273	23858894.07	23900199.41	23373455.14	22597844.85	22645236.02	23004338.85	23654209.16	24501586.4
(4E)-5-Hydroxy-4-{(2E,4E,6R)-1-hydroxy-6-[(3R,4R,6R)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methyl-2,4-heptadien-1-ylidene}-2,4-dihydro-3H-pyrrol-3-one	381352028.5	128841102.6	450486888.6	273824660.8	317377604.2	189314479.7	274436431.2	197826838.1	410273457	220508043.5	399811790.8	243918614.6	337334107.6	238015442.3	331464374.5	214665390.8	415023034.9	315146790.1	321382331.1	190379890.5	170491968	85047303.58	175262211.7	105276860.3	213220426	119926088.2	217262263.5	118076413.9	185782380.2	128431209.2	197075189.1	92025165.57	207525234.8	143973814.4	175207856.6	122045504.7	232071294.3	180573101.9	156501308	59391620.6	406045778.7	293122060.2	334934422.8	173596640.6	344808194.6	208222722.5	282482730	216375891.9	407572693.5	264437432.2	430427228.9	272497542.1	325455304.9	189251577.5	385800119.5	270978333.9	385823121.5	215625351.9	337889150.5	182837350.8	139282927.2	92230298.44	170566221.8	111893834.6	196456885.4	159034117.1	145878580.9	98971625.51	210330240.2	109021711.1	183949844.4	112829779.3	171913152.8	119089808.6	165470859.6	107348912	167565335.3	88607580.51	195667821.5	153227594.2	52390224.19	1309247.631	47882048.16	48297145.24	3353083.265	54869571.39	46681517.1	47846378.28	203245130.2	204995937.4	207317943.5	198927054.2	185286294.3	203146928.3	206638725	207488666.6
DINP	311137662	187041153.8	231487421.5	203088998.1	133505171.7	105934534.4	146809125.2	134267601.7	10228789.37	120107808.4	18726646.89	156231795.8	11202085.75	151896686.9	162307641.2	120240036.5	166414476	163074739.4	124814000.2	106532682.1	381303700.6	237468919.1	235382647.8	165838986.2	128907752.9	94802251.66	416891933.8	318197320.6	172451269.3	137000902.6	201171192.2	144830713.9	52702688.53	38843586.26	68602212.07	50802192.65	131518950.4	110424649.3	31607127.54	124604257	277907095.3	12262205.87	10654079.25	119146985.7	9823441.588	142468381.7	237778443.5	226833672.4	156847130.2	130591491.8	269171779.8	213266504.7	223345264.7	151596532	9146705.068	144698815.8	215204343.1	147394956.2	205089396.2	163778260.2	360473843.8	259885270.2	247438942	175714907	26093565.43	180667245.5	170688428.8	140537272.5	216816134	145712399.1	16531713.71	10888513.18	184621293.7	133976022.8	164914359.8	134677825.3	179267561.2	130796533.7	159603245.7	149619881.9	138445816.2	94649411.74	80354449.21	70845331.17	64403755.45	68737216.41	70946574.64	59577867.43	10133859.68	58583285.5	49217337.66	47137201	43812344.67	40062887.13	37967056.44	35343756.65
Bis(4-ethylbenzylidene)sorbitol	423818876.1	209128980	411142082.3	272070521	223304191.4	157288512.6	277955331.7	225041320.2	358165139.3	244793391.3	281211718.2	191997948.9	289503291.5	232295931.6	360921945.7	257830037.8	365521149.9	327669413.6	216855179.6	154997559.7	278065804.8	157555039.6	224558355.2	148951752.4	356919171.1	232556306.7	392741135.6	258307056.9	204498129.9	159812750.9	233480176.3	137203985.8	241893158.6	194967950.1	273583384.5	196952972.9	337148230	283685375.1	221153706.9	111823465.4	388502517.9	346115895.5	203670781.7	115223838.9	262595308	177812947.9	210135224.4	175312599.8	376070848.2	288751850.9	386143537.5	260149582.6	274606751	155311746.9	423386453.3	310994980	353951637.6	229381220.8	249720437.2	188361305.7	309393302.8	214631596.4	258966123.6	176458202.1	225384997.4	189585947.2	80364184.36	77648289.19	244710442.3	192161715.7	262886284.8	190871180.4	247806963.4	184153655.3	222919522	164541027.5	255843274.6	153664807.5	237208996.6	204079939.2	154432087	103979566.4	112162919.5	102002522	95954242.85	113603958.2	109401862.7	95499493.05	203041624.9	131522748	150750342.4	159811568.1	159087225.7	167970383.6	170887492.2	171254696
Creatine	84276642.1	33085139.87	74205269.19	38341640.1	280728666.9	212430996.2	51398264.36	31735459.04	159143092.1	93398186.17	236350543.9	158906004.3	146432768.8	141731248.8	126141129.6	103626031.2	85297232.22	65822623.81	174452759.6	84376555.22	124119485.9	66385903.07	282930053.5	186823477.7	462471321.4	344257850.7	113760470.1	74629621.21	427058840.5	356738898.6	257650568.9	151139434.3	102083006.8	95353360.82	392622810.5	391660532	481900982	367501725.6	157111620.5	50977422.52	58743398.83	46326684.4	151074056	102489709.3	91366963.46	67114797.37	116907536.6	90720926.38	128169848.2	102934570.5	48043800.32	45667248.01	189929176.6	138343645.7	57587701.68	63073051.14	110018777.9	95744426.13	64924069.03	48577659.92	63928845.69	33928252.28	56078783.89	38733944.38	56390101.29	51037563.16	115205986.1	99725596.06	94782360.26	54707387.78	47494842.56	31639085.24	176449581.4	147701838.7	99753938.16	73029924.33	112469791.2	66441279.56	86077059.34	55542493.99	1332688.183	2877098.599	2867042.136	2041493.124	1995178.053	2755870.139	2878756.657	3156271.109	223259200.1	193482974	231102680.6	210522124.2	287241952.7	219809668.5	174240261.2	227848275.5
N-[(2S,3R,4E)-1-{[4-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]dodecanamide	196095829.9	120673430.7	287371470.3	212496218	254373121.1	230173322.3	182366411.5	131946998.9	199250987.3	156584097.7	321464289.8	261614582.3	221587781.1	187337448.6	209302964.6	159725668.1	304195569.5	245803082	222313793.5	154334732.9	197214309.7	131103184.4	188789581.4	143168793.3	171075231.2	129194895.3	195611818.4	139711587.7	204467178.4	153743290.4	204950862.6	134615762.4	219112989.6	173993549.6	254082717.4	211284616.1	193302310.7	163027220.3	206412799.2	133878864.4	401991992.2	350957753.3	257907237	198193016.7	261463711.6	201197582.6	290123690.6	232912862.8	273505597.9	229594042.1	399565370.6	296820729.1	202018390.6	161640250.5	365376473.7	311979245.9	291542820.1	225162957.6	299522562.7	200715241.2	260329431.1	196850906.8	278994185.2	246406894.2	332481050	260870283.8	299788753.4	263944551.6	234118360.1	169155448	309439064.5	229219538.5	348160234.3	312454141.2	307931368.3	246547670.1	264754261.6	207264872.2	254699375.2	205441226.8	139776.3392	121316.2588	169304.2787	121965.1196	109818.0864	119364.3649	116893.0717	130575.8153	201291552.6	194245673.9	182838624.1	180998435.8	185518430.6	194121248.2	201986549.6	191242202.3
(E,E)-2,4-Dodecadienal	24614025.55	11230419.34	29804058.7	20484405.76	13580530.92	9837555.151	12830551.85	13083733.84	13622468.85	8860121.961	21079678.35	12089891.37	44094848.16	30113326.19	16514252.61	11944673.21	28416195.95	23361114.97	114499042.6	75382115.76	43578094.36	27547089.66	57672179.57	34248471.49	37939077.97	26055670.23	32552800.96	19552361.06	157827425.9	115963313.4	18432458.79	10623280.15	20874795.34	16332512.65	79627551.38	58978261.6	30015501.12	24105727.37	53329563.3	21433073.98	11243825.44	9038655.035	16508185.76	9393420.382	10657138.59	7682973.882	9537349.748	7398045.616	9737555.461	6567892.844	57360976.1	44504260.41	12301626.03	9703505.716	10812918.86	8012014.633	25664490.09	17014382.71	9736597.626	6275876.21	96656338.02	64730867.07	62954841.56	41000234.58	315708645.5	252878132.7	151022270.1	110215181.5	9932778.005	5756838.358	21850379.95	13838465.94	25529919.38	20171263.47	44232711.1	30072074.64	86939828.94	53317687.57	119331632.2	107020162.2	1059816.337	1194738.356	1115234.103	1229547.094	1289027.789	1283562.131	1366276.916	1692279.024	17045404.11	16470283.16	15725517.85	15578755.37	16638326.18	16406368.97	17150310.82	16225337.94
1728235	88271189.79	31866622.91	284275673.7	207471997.8	63049117	40474296.03	22594437.63	17141366.78	49982286.33	33087415.09	127994318.1	66779976.58	103655978.2	81009062.02	62546975.94	43170151.15	230049531.2	208167972.8	33327409.8	17983375.88	27883583.35	15088471.56	47266433.87	30978458.41	55574673.91	33717575.17	40167561.65	22045342.86	37254673.29	29697035.04	92644385.28	41684591.85	57422170.82	48825799.74	56710311.06	42692008.93	126114683.7	95267826.48	57925208.2	25577622.01	75286368.17	60792600.68	38149710.99	14595218.65	90745002.3	61380231.21	41249208.37	33172050.9	34011950.2	25604479.8	176818134	122789289.8	63312017.15	22737939.41	193803313.9	149816385	112683872.3	86622711.41	66986813.31	38328957.03	25953869.6	16873403.19	18950355.19	13538271.97	59310149.86	34389969.63	39016304.73	29550034.31	43849259.78	25156894.31	108056428.8	74991192.61	167577001	114573859.4	59243014.91	44916493.63	29313796.87	18633896.65	33591942.08	38216814.45	888219.2612	718184.2187	678643.2989	589228.8771	653073.7085	646070.2237	684773.7389	765579.2159	119832422	112557171.7	115285982.6	116475755.5	117602244	109732437.7	112306369.7	124606243
3-(3,4-dihydroxyphenyl)propanoic acid	156955871.2	35927579.38	107484639.1	61732206.71	142317387.5	95795553.7	70963048.63	36510833.56	131373620.8	70668914.02	87939416.91	55682697.91	137810239.7	103057364	161551511	99988553.14	198050899.5	158351397.3	180695210.8	89116807.64	180785985.1	77055585.92	143949577.8	84120697.58	183605024.2	93468011.63	171685536.2	90228802.35	143232055.6	99446811.19	85348145.65	39046454.85	148287634.7	95892292.92	117680948.6	90704309.51	166788845.5	131199093.7	177060390.6	56138951.53	142346531.6	110237156.9	130708237.9	57772428.01	216558241.2	157546131.2	194192944.8	140211856.2	187544762.2	125230145.3	128397297	74426186.8	111116128.4	82529561.7	154415711.8	120879370.1	201798782.9	65201990.35	204712706	103051807.1	173533935	79342345.1	167273363.7	98073646.78	217816792.9	141461735.7	122258282.6	96938684.95	158737017.7	82483301.95	142636985	79186539.7	128232772.9	103033620.3	306750323.9	195026964	180620090.3	100829542.1	209838662.9	176676220.7	106773.2213	126801.5611	110693.3565	87085.61954	85835.90966	122050.9923	97424.38589	88838.778	242094488.3	206871815.3	213546564.7	216824574.4	218405711	239330061.6	258589131.2	192162862.5
Caprolactam	180920766.4	100577802.4	270933001.1	143467632	168149005.9	141752024.9	98046348.31	80385945.28	169470624	117073503.6	195604270	199607720.6	199231238.3	161504619.4	106484363.3	117798360.5	175641484.1	136628259	116958096.4	86376034.46	132373922.1	102309853.2	156174916.9	115237724.3	150925218.6	103299659.3	130292747.7	82620667.48	119980017.5	99841536.09	123117580.8	89993397.07	163498622.4	163603588.3	114972105	102854767.6	233906791.3	149127627.5	154662958.2	71009607.15	216260172.9	184307140.5	127921356.4	107793950.8	113322711.5	97218299.57	129439768.3	123037934.6	118665908.3	116344182.8	214189451.2	158348904.4	219020919.9	139598435	221483413.1	188445921.2	212798405.4	117369981.6	139603668.1	97722909.73	111097321.4	74907302.72	116671003.7	113184886.6	162990915.3	143313393.1	188347850.2	166118508.9	184819148.9	124264898.3	123151657.7	141367363.9	190570969.4	144912502.4	153127077.1	139009647.9	150184035.9	105166484.5	138423764.1	115196673.5	15850528.82	29527332.56	41723583.79	34941601.61	42905702.98	36925510.65	37609048.68	40038071.15	62395257.4	83608634.97	132288943.9	97436170.17	99585147.19	77093476.55	69951946.37	93093387.55
(±)13-HpODE	13862918.66	5835850.041	27154265.16	19538289.12	19474999.42	12651399.58	246480892.9	175747771.8	20904515.62	12123550.1	23351690.49	13306370.69	115819997.8	83304443.4	10527879.82	7581112.457	27404184.68	20426503.45	151261138.8	90073654.22	139296380.9	85142449.91	10979252.61	7198975.801	36261668.56	19251194.43	26092356.09	13703684.11	19193914.82	14387820.25	134950195.4	79344763.22	92452740.39	60568861.65	29816341.85	22236143.74	33435419.86	24186701.05	18110412.28	8366236.831	27750680.17	21036874.7	153719534.1	78648925.8	14902758.2	9924928.2	15525513.24	12304398.71	10284017.88	7769444.021	26172815.09	22471016.47	143444804.1	87217982.47	24351845.59	17740326.48	16270885.31	9884773.547	15921367.82	10114563.31	11266427.86	7101552.184	249158162.8	166018752.6	30701299.66	25367822.23	40044107.52	30489380.63	8397448.323	4431664.428	19497638.26	12152754.78	24512558.53	14804567.8	34119379.32	23343247.25	104252400.3	58418535.19	194391391.9	154755430.7	958828.5445	802728.3084	849668.3782	885339.9907	1010347.927	810155.9496	882158.1383	1000661.145	27803230.08	28219777.16	29814038.17	28133097.28	26366326.15	27190513.46	27365902.45	30065318.08
NP-002322	17210102.7	9080130.769	22526625.07	14852162.75	21201440.58	14700871.51	281723900	205994617.1	23072175.63	14913536.08	20227403.02	12783325.16	125877937	93880541.21	12257520.21	8291426.04	26179031.57	19495410.83	173631099	101509436.9	150282999.3	84848054.69	11111020.32	6827344.329	22747880.63	14394256	28197753.86	15665887.08	20715982.76	15943836.62	118889657.7	63276997.65	25037117.35	16598631.56	17981253.59	13233194.02	20323832.23	16509420.26	25904711.89	11996671.86	17077467.95	13512262.26	176919720.5	90244743.34	17546922.08	12839036.73	16436232.97	13018025.16	12891122	9058505.139	22224644.4	19273861.8	149099837.7	83207843.71	24545122.84	17525843.27	11637846.77	8143851.985	16825438.42	9711910.451	9103694.732	5889162.728	216504271.8	149453218	24014489.09	18243201.62	53594902.67	35721901.26	10466151.38	5466448.487	28243939.27	16570896.85	23348343.49	13752878.22	40439859.85	26959051.28	94154033.42	51166879.23	227833959.4	191911449.3	1601603.872	1431537.852	1404245.028	1274017.629	1366402.901	1296824.043	1404145.118	1454936.677	28037506.12	33018017.51	32677775.54	30647568.7	28873912.73	28576251.27	32376562.65	30410626.81
L-Tyrosine	143136357.5	32131767.87	94947105.04	54868614.37	125441646.9	85104904.59	63119363.82	32486734.59	116327170.5	62446611.35	78147002.57	49543015.1	121639472.7	91275478.45	141718737.7	88102243.28	174822432.3	140128312.6	158688478.8	78600352.31	158848902.1	68724837.43	127171901.3	74266687.21	161812109.4	83124657.47	151492219.9	80907156.39	126696261.4	88543782.12	75319097.13	34665892.26	131700885.1	84653096.48	103610272.4	80389705.5	147076965.2	116107460.3	156833597.7	50108256.14	125690445.8	97794086.82	114967236.2	51982568.71	191146780.7	138715963.3	171176167.5	123210667.4	165652640.7	110600441	113922201.7	66137673.65	98021638.54	73113994.4	136323847.1	106937717.8	178494099.2	57110524.14	179464419.6	90952140.97	153646895.6	70401218.64	148209200.5	87135625.63	191836586	126424011.2	108212099	85770243.45	139034083.4	72682033.44	125948568	70055935.32	113831154.6	90990280.12	269561238.3	171769394.2	160085501.2	84866506.04	186062147.5	156258747	32207.7565	57169.3376	27174.95226	26341.05043	47137.26861	36856.3538	26844.97428	27335.79287	212982969.5	180531497.5	188203165.9	190989024.9	192065487.2	210024296	225268955.5	170118874.8
(+/-)12(13)-DiHOME	20256034.66	8613380.376	40442639.2	27480086.24	32281096.93	21425938.72	216238494.1	138014994.5	34429067.12	19347193.46	25716305.65	14808724.15	150086882.1	104377446.7	13990736.32	10417605.69	29974273.07	24205178.32	140611666.6	96891130.21	146195379.5	77753460.38	11362270.94	7118043.375	41709440.53	24230080.64	32149133.74	16472583.48	23180629.26	16729771.06	112349636	63268556.97	88270232.93	56590361.52	24344152.69	18267864.54	41047831.06	31936828.1	26210351.04	11400351.55	35006123.03	26396067.58	155415799.1	79384688.79	21621262.08	14927830.15	20595042.9	16945694.02	15628056.04	10762321.47	35380277.7	25260286.92	136607815.8	81841123.36	31306039.72	23683931.94	22223282.95	13829183.02	20256971.78	11905575.43	10535226.58	7009547.365	228359684.2	140521631.6	33570705.86	25785158.63	63339567.35	44575548.37	8490285.973	4477094.769	21522047.75	13245516.65	23451000.09	14678647.35	45410580.67	28900040.05	110830992.7	59840963.23	280053689	216022046.8	1948103.575	2147969.182	1611293.476	1973024.885	1786404.027	2011149.201	2103482.799	2126430.113	38031391.49	37129237.18	34555098.26	35825785.44	35923050.13	34340043.81	37203178.08	38902125.17
Monoolein	60590471.08	25034644.98	198951037	155348406.3	54938022.12	34923080.49	25269659.73	21768528.84	45078978.14	30218236.06	103148182.2	53647148.07	59057414.62	50745502.91	57333883.31	39945884.72	215557221.4	200214760.6	23540496.86	14704443.44	5864457.98	3037336.106	36362996.74	25949069.97	39149639.83	26799013.32	44372958.89	30889258.07	10486523.33	8933966.399	61197479.45	41633731.51	59338056.01	44070975.54	32750785.19	25490393.4	121563876.4	92436172.19	37559727.56	18120172.41	67481761.14	59589577.18	35675689.03	13647955.6	71300501.54	55126677.39	38685670.6	29292194.32	37413090.17	27653853.94	123693645	96028236.6	54296099.89	21589855.43	171596311.9	128973980.5	99346960.04	65198319.71	63407693.82	40559955.95	9016175.238	7064221.153	11105067.58	9091126.642	35233216.1	31966611.03	14835856.67	10798918.43	35031184.63	20165845.79	160606254.8	113302881.7	142643169.9	96454819.85	69310020.38	49585848.89	16436831.04	12360027.66	14070717.09	15118743.41	1688389.007	1318473.105	1463630.65	1362632.177	1644727.023	1583345.182	2100486.296	2750234.344	45154184.29	40054220.99	43149531.73	51764494.44	54630100.9	33888758.88	37092283.04	49746917.64
NP-016928	6546941.467	1613361.248	6337988.075	4017914.608	6700741.438	5274478.13	5775710.211	4162989.547	3723864.082	2094990.915	4898869.677	3562982.069	4998011.23	4929982.815	3631824.179	2181913.252	5166949.298	4757168.934	4272423.914	4112903.334	2105441.883	1073045.673	6085952.376	2796866.843	4271117.637	2631296.42	2837263.139	1258118.423	2479843.257	3094986.36	1793079.717	1034759.67	238930912	162945583.9	4512267.153	3438994.198	4491081.851	3719699.958	7380180.483	3111600.508	4615842.119	3820241.917	5327330.747	2657433.555	6677973.767	4221461.412	8719776.019	8532712.316	3238603.256	2281198.753	8276515.574	5532018.432	3625413.608	2425250.742	6289919.875	3672141.527	5315002.955	3060049.639	5362489.085	3903091.468	2100342.602	1598780.498	3749628.009	3805239.978	5375447.594	4680925.26	7803311.605	6627520.005	2557226.237	1341974.711	3669375.198	2386543.749	3860977.913	4107296.207	8465482.184	6311810.755	1836823.374	1279663.353	5309913.425	4368582.184	474314.9849	547325.8286	345891.3721	399733.199	418214.3349	458261.9014	565412.5551	618567.3971	5761635.499	5924242.368	5016194.689	6365291.518	4843395.141	5522154.452	5493616.448	6238598.157
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-5'-carboxylic acid	5121668.397	2322897.028	7819470.13	5088555.94	5284806.38	4131860.235	11745767.26	9594651.054	5411256.282	3475824.136	4771697.518	3319521.061	6862449.896	5151389.42	4167221.492	3351884.162	9160145.635	7793042.777	6934712.772	4248788.358	6017021.324	5086218.248	3691946.091	3138904.353	6456700.87	4181016.873	4369671.446	3213303.199	4048527.223	3520906.604	5950838.018	6235471.369	223079780.7	147197548.3	4897080.537	3444483.998	9577803.432	7124053.128	7289090.665	2878858.803	6996176.581	4874788.596	7596111.274	3309555.678	6703842.442	4246412.84	6739080.058	5342792.281	4991233.16	4040990.817	7148252.978	5645016.329	8308710.122	4893661.512	8602155.914	6146991.564	5357788.906	3806520.38	6751445.673	4306676.65	3378059.478	1906657.244	8816218.961	7764282.344	7078123.872	5033266.223	7609108.831	4693120.79	4364633.025	1693981.636	10487815.51	7106836.556	4640222.157	3532763.558	6052137.623	5296487.593	2892919.025	2009717.64	10014386.99	5025082.699	805047.232	864234.9819	1014114.946	882917.8354	1045797.987	957717.0012	1095218.968	1059264.246	5016677.321	6309690.043	5624678.976	5889347.554	4970169.39	5109893.535	5459546.612	6039603.789
6-Methylnicotinamide	15843128.19	8264205.18	212535846.2	114117747.5	7305950.867	7963573.335	16921506.17	8164637.702	9642344.102	5230716.009	2509170.847	2600710.9	1730553.143	1488205.678	1190507.439	1288818.682	13596875.24	16531213.34	2239767.766	1261764.839	5893434.59	6111022.833	17067839.68	7133726.045	120044858.5	61474117.79	14067625.19	7505137.314	9153056.245	5368981.853	2338902.499	2022652.024	840193.6523	1151011.797	836240.5181	996139.0863	10942805.57	6827425.697	2445816.36	1189423.129	237246977.6	171337885.3	23993115.55	11677901.72	13274541.58	8994427.985	6862531.795	5693397.361	17768245.01	9883816.286	1674305.826	3121911.699	2455354.338	2243635.732	32505179.85	26134379.33	2346123.242	1977585.948	1833863.123	1206744.958	109518977.6	60901984.66	24553224.29	18809089.57	20858299.73	13290608.35	13028073.45	9572765.304	16965719.75	8898323.965	20428130.23	10786341.92	1043044.163	1089043.803	4704803.297	3390733.73	1612305.13	1008944.194	1479264.733	1201087.367	1592622.73	1960903.938	1182286.467	1229047.576	1018911.046	1311840.41	1080545.683	994389.0033	20504123.88	18729474.03	9006100.434	17482440.36	15687616.32	18687562.56	18026059.55	16836203.03
(2S)-2-Amino-8-oxodecanoic acid	9915463.898	2321840.281	3231302.516	2262212.559	8432492.201	5385049.775	162922770.8	132287689.8	7551384.949	3914279.99	4732308.112	2587064.382	78930237.95	52672908.01	4363157.43	1735529.454	1943192.696	1515662.589	169652412.4	127428742.2	108523714.4	79392415.98	5970554.753	2657325.954	7351350.113	3604202.759	5334125.811	3080499.363	8587745.841	6048986.048	121203604.6	79750830.54	1958011.226	1038702.483	3255522.593	2293249.971	8765569.823	6103098.743	6693819.337	896421.7915	2689135.88	2308251.923	129411529.6	48747271.93	5603132.116	2751766.81	6017256.334	4141951.511	3085534.477	1803230.222	6012151.22	3787012.318	115948830.2	72391266.8	2240148.712	1588299.37	3081038.485	1165902.927	3613207.203	724794.2026	1634964.11	922083.3358	195895992.3	131648723.8	3136232.066	1543518.422	16345582.88	13448365.08	4684796.045	2279639.141	18121280.59	10637899.44	4785183.411	3692181.306	25561410.99	17599696.31	60104440.13	43757967.68	114654693.1	90859344.3	785302.4459	591723.6634	581547.5269	873403.2661	499772.4292	541270.9079	456525.6068	576356.7518	24524656.27	25530074.52	24523939.03	23523093.03	24497501.55	23548560.17	25234412.04	25194157.25
1,1,6-Trimethyl-1,2-dihydronaphthalene	12053784.75	4487035.617	12236560.8	7343602.663	3956889.931	2957523.912	932686.0367	1148469.306	4525864.777	2725481.571	8633735.366	3881126.998	17777336.37	12670181.54	6687420.578	4642534.933	13597831.76	11745371.72	65386637.46	44216871.83	20825988.25	11851240.81	28963352.98	20540658.61	20221214.68	13730663.57	15091412.37	9338040.394	97423394.76	71789274.72	5821116.653	3429587.544	12396460.29	8984632.714	49783660.57	34509011.83	13049618.49	10405855.1	27211889.69	9821332.181	4135184.083	2503831.892	3647551.361	2031269.177	2317155.38	1898713.326	2492713.241	1824681.157	2533565.19	1783214.524	29983939.41	20639875.66	1828415.681	1577807.869	2773722.424	2023829.05	11303585.74	6903283.193	2393081.906	1387906.012	55296206.34	34593410.52	30510454.04	19582762.06	190938077.7	149140563.5	80950074.75	64708973.73	4400452.517	2394087.75	6971089.604	4935512.014	12069429.84	9476709.894	22678109.23	15887476.17	52973645.35	31784847.16	66615786.65	57838353.83	134423.3355	206140.4072	122556.5007	135436.1252	152385.832	164926.6358	200877.9277	226453.7061	9392099.353	9407581.653	9033378.847	8732657.242	8919544.523	9344957.644	9223212.309	9492803.109
N-Nonanoylglycine	9994464.739	1408619.526	4507666.616	1174875.624	5600104.473	999477.1028	154780325.1	4840880.311	7762156.243	1111167.308	3255726.794	1059208.887	50090368.98	2362972.591	3711123.901	607140.4496	1671963.867	1503175.117	167424357.9	802854.8263	107712627.8	745514.9956	5521052.644	1118955.001	11979056.58	1184644.224	7109110.892	1418095.341	12490781.03	1346416.073	128332437.3	498119.6241	3741896.938	1291413.155	4776904.234	1153448.159	25269982.77	23611638.33	6645060.642	1341683.919	2892619.403	2528677.653	143301603.9	4358906.405	2626563.122	1084681.712	2403724.119	1060953.666	1874376.044	1088666.452	5037191.292	1191204.696	130830322.2	4179809.558	1836175.749	1701698.472	5859704.321	1293705.204	2321173.119	1211341.81	5034096.258	1280176.075	172921502.5	5964134.348	16681863.08	1017757.591	22098394.51	1580259.124	4520505.608	1125867.02	68038610.08	1249050.852	6763470.101	1087611.672	21555177.73	866337.8903	69611702.7	2173578.818	84217992.52	76120171.53	1185109.519	736661.6805	660730.9702	723633.9384	561765.5353	1160105.211	584522.1975	676310.3575	22866373.88	23412634.77	20594464.31	22796247.25	21032121.1	20683699.02	24701127.77	22418147.67
1-Hexadecanoylpyrrolidine	37655856.88	16983006.7	55945709.83	43288403.74	69950401.86	51648038.17	20185832.05	15948189.43	17530631.94	10865413.07	19055007.73	9099032.422	98946686.78	61695727.2	18605292.61	12961272.47	21014884.74	18440544.43	95060666	66509960.97	72282740.1	49556607.29	63467375.14	53354889.65	121434117.1	79187182.76	65324093.74	41576672.84	95351119.83	83931457.1	25129337.37	10773577.42	91499941.71	76056723.2	50374552.74	37340348.9	98445912.58	80208898	50668168.56	23433461.54	32710497.23	30032120.74	24711464.21	12085483.81	24458069.91	15713119.85	19263914.87	13924973.6	26821138.21	20620802.63	82045452.96	56499767.68	15164357.56	11932958	26132954.49	20191371.6	71610655.14	46526168.03	17129004.9	10128958.36	120975976.7	82751521.27	42184152.88	31228243.17	68889142.67	61674067.7	94735137.52	73238428.9	17033315.91	10677964.38	84258768.89	58405078.2	28189771.53	19252191.41	18177770.39	13459352.22	69464190.7	41676297.22	142529973.4	119946347.7	251932.738	282862.7348	394938.3055	368789.4003	473262.9884	551687.6782	840537.0741	1017647.959	33682882.49	29047578.69	30783358.5	33037472.03	38076040.76	25147233.56	28249824.43	37417342.37
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	978605.896	663206.6333	1295902.837	1242121.032	1532597.987	1170549.562	970430.8111	1148648.935	1377478.298	799859.1788	1970078.303	1173470.165	1041353.494	855222.1514	948516.6397	629319.7744	1890601.838	1702377.995	1488825.851	1442472.31	832034.8742	619331.8656	1249796.544	859370.7389	710968.9362	669059.2649	924612.2172	696919.8353	942024.7736	1031548.169	937841.8791	842970.1859	159171390.2	114187983.5	1925456.166	1383875.758	1510469.144	1283907.286	3211538.445	1576082.222	1886249.254	1428580.436	1548228.657	584695.3122	1455298.987	658827.4183	1844278.046	1715542.407	1008682.248	858294.8865	2681813.128	2089603.318	1233428.649	1038162.526	1815750.512	1232828.299	2463316.568	1620045.586	1129323.804	937120.1449	786598.8274	620781.3292	1311822.91	1054496.797	3048306.487	2807939.589	1694080.381	1518796.32	650301.1222	503917.1587	1574127.61	921597.8377	1499839.485	1131671.667	2267183.719	2046963.119	1255371.271	1034034.737	1541524.155	1320853.26	219315.0048	187222.5622	270543.0202	298646.2748	346964.2175	307181.4249	381302.4613	411181.7592	2021855.259	1869099.992	2195940.937	2224565.519	2068130.026	1806674.376	1955515.439	2137812.201
Bis(2-ethylhexyl) phthalate	47941811.6	16487183.19	39635285.61	27250729.65	4154313.562	2742372.335	5333748.13	4322132.179	10981293.7	5899350.232	32067601.15	16440741.56	15200751.05	11665960.19	7834917.442	5828964.117	13308069.02	10642051.06	96550581.9	60306269.94	47501165.25	25396079.03	146424382.8	90771552.89	44955847.48	27420365.25	155008827.5	92826027.05	95098304.03	65081422.54	37403061.97	16285882.04	50273020.76	36634690.79	206544853.5	151102918.7	26604022.23	19518286.03	109740433	43479649.75	8587302.203	7704341.128	6561813.875	3265768.277	7704890.064	5168962.037	14146602.68	11674709.65	19364045.91	13990254.21	53093229.94	36619130.84	5402470.252	2783730.054	5551516.372	4084002.414	16734038.17	10587963.98	10820145.67	7313372.106	76163922.83	39163811.55	11527613.44	8690508.765	137218490.4	112076886.1	66402784.35	45951365.72	6678340.766	3523833.073	10868194.62	9945619.484	13006419.54	8514562.339	29402839.09	18139018.12	54739756.67	29947870.29	108471568.6	85190815.19	441428.0217	249704.2396	306945.4131	354925.4515	364494.4686	335371.2433	353523.5589	392108.2894	3694697.235	3439581.016	4507741.877	3986805.899	3772106.343	4035671.149	3188770.715	3977940.89
N,N-Bis(2-hydroxyethyl)dodecanamide	11858000.72	5193588.212	15209180.82	11027587.3	14286941.72	9155027.948	170329011.4	113993109.4	16137087.79	8563202.228	14217186.7	5353009.795	76420815.58	58093233.69	7716081.64	5259787.233	9913212.908	7546141.606	77698781.32	61312919.91	86915006.47	47423987.94	5187886.768	2932142.656	12534321.59	7401489.791	16380215.94	9233107.545	12488850.46	8860618.222	60703197.21	33364603.5	7620076.484	5559983.441	4909829.825	3260238.928	8701400.326	6566317.094	11319022.97	4906855.315	13857936.55	10243778.02	108396467.4	51733986.4	12024361.64	7867480.204	9149880.65	7644816.376	7883634.61	5028706.779	20521295.23	13611158.16	94244969.41	51697186.06	12271010.95	9529978.738	12452870.68	8275335.086	7865267.398	4380335.027	5240037.295	3286757.053	149784523.2	88192529.5	13956650.45	9724122.773	26662461.35	20717658.37	4111872.399	2355710.011	9287581.594	6070322.925	10515565.63	6535854.015	24075833.71	14768367.89	58979432.4	36205334.04	142234599.2	114151814.5	1533368.803	1365234.054	1261090.836	1452781.767	1369474.741	977009.438	1060708.538	1089347.957	17195878.69	19281348.68	19757977.21	18648064.33	18601210.61	17480049.52	17966175.42	19052884.46
Urocanic acid	27815547.24	11221567.56	26557917.99	18090216.85	17289405.33	12092499.08	6680795.928	4642932.408	33611420.56	21085364.15	9508338.069	10907818.32	12440078.59	9280190.28	6736898.226	4863396.526	8888520.386	7430431.888	44707506.42	26576960.64	55663241.82	33457788.08	28955586.93	19540955.47	35236294.16	21512053.86	4366845.67	2780164.438	16348702.96	11599204.6	10057986.94	6221507.409	10725815.77	8184711.703	70688207.38	57764820.84	32328595.62	22568948.36	21975707.46	10067595.2	28221985.53	21645349.61	17703142.12	10926482.95	2575825.361	1949742.127	11905949.72	9098442.99	4940341.012	3784937.007	13110868.29	9100734.907	4235356.302	3364698.591	6716128.248	5346889.48	10837521.86	7673014.838	48845274.21	30020453.85	29111494.32	18248495.55	14521164.1	9668822.135	48470279.35	34594777.81	167245262.6	126763568.5	10574232.88	6577883.682	4088812.218	3179262.717	3494213.953	2916956.246	8106427.973	5621682.454	27924552.15	18651450.54	39230664.64	31123268.72	170507.454	266287.3767	254392.9887	179826.7725	246775.7225	239874.0178	232069.9362	256256.9637	29008771.77	28091891.08	27923420.58	27084409.78	28214998.75	27601506.39	28739260.59	28530235.56
1,4-dihydroxyheptadec-16-en-2-yl acetate	13885684.64	6685960.302	19299436.39	14354119.9	10568693.81	6673818.611	8313971.193	6963395.957	16159859.47	9814318.405	10029487.01	3886428.616	10047910.43	7563920.446	6138618.613	4087994.188	9540610.994	8643556.382	2931200.353	2626620.719	8527488.882	4804460.484	10644815.5	7391812.498	2969731.165	1507912.668	13668572.6	8644803.246	11510864.44	8658433.233	2129289.833	1394862.998	2958454.984	2405511.43	4983172.688	3764969.174	1291690.065	887236.8179	3974338.719	1878215.311	32218527.71	26430838.83	9615291.358	6363576.389	14188553.23	9898722.183	12825858.44	11334499.96	11780822.07	9297529.863	18742138.54	13381566.2	7633774.522	4708024.705	15187626.26	11591956.31	31532910.97	20387002.93	11147317.25	7543467.108	55790854.24	39303462.17	10716636.35	6687141.646	11049520.56	8643889.175	10418863.74	8687834.417	17563713.83	11226345.59	101341128	65245071.45	65935823.73	46441975	156336917.1	110865927.4	134920866.6	75854939.38	57295961.12	51555281.41	997667.5054	986905.8435	650633.8686	575961.273	577936.192	398139.0494	497166.2303	441837.7881	9065923.731	8339313.164	9025048.761	8608441.219	8662312.239	9185981.379	8655560.758	8773157.314
3-Tropanol	2508038.537	3423523.439	1431606.905	2275478.604	1424285.435	3290361.677	8049874.038	77012221.43	877211.1349	2303791.757	1158872.136	2824730.247	5155727.353	36979020.28	829095.8576	1608647.306	770159.5392	405478.1148	7520443.372	96142687.5	11223161.92	117202794.2	1061468.808	2585551.397	482766.4268	3976104.294	658743.9721	1670498.323	842202.6669	3461135.301	9114170.73	94467737.21	941240.0755	724990.6762	872145.8017	942164.1152	808378.0131	9085228.478	1073418.51	1506461.964	1220858.644	1919321.293	20871156.33	124872571.2	1205432.519	2353996.258	2222693.203	2391539.623	852384.8183	883024.1664	2026983.285	3851993.796	10377179.5	111220823.5	1131993.569	1199488.242	863117.5744	824666.6644	1131930.6	554904.7522	1892054.649	1742346.669	8781766.195	182761549.8	1079694.34	1620326.287	2483638.713	11572307.21	513839.6238	2265540.911	2732362.7	26860041.88	1050588.904	2749101.067	3374886.114	12569183.65	1238694.633	29374209.89	2448165.838	42071969.81	1547664.718	1105956.039	1004577.047	845254.2835	818872.4887	490881.3409	478699.2356	479200.1948	2356854.157	3217170.684	3188320.712	3293575.11	2517131.734	1131765.406	868353.7064	1379473.446
5-Pentyl-2(5H)-furanone	30793130.69	15517474.37	22251827.53	15601819.28	29665478.41	21867773.39	108059306.2	73212046.38	17730494.35	11473478.42	16889841.62	12316234.14	55792380.75	42922691.98	13146757.75	11250419.97	13254075.51	10417620.11	72044257.54	51486286.04	68240730.69	43798945.41	12898621.32	7897794.126	25823480.93	21061873.09	14048998.54	11686416.07	25712637.57	17484689.03	49581273.08	33402940.39	14402602.13	12451661.62	8742619.61	7713370.291	20490126.93	25302657.69	77845179.74	24008412.13	17024646.84	13328393.3	76624630.49	47665982.87	27979987.5	20167955.25	30004215.82	24682697.51	13055239.5	9689188.355	25829000.5	18482261.76	64320636.82	42099513.92	16691416.55	11682089.63	16877673.85	12890075.3	20921852.98	13421611.47	9467466.967	7050069.162	85509088.51	60079632.06	12564527.28	8683128.777	57807444.38	45359412.08	12702619.49	5563982.259	145421022.9	85650923.91	16096456.64	10370160.74	37332319.22	22836397.74	33077320.39	20556786.59	86574913.36	55897151.31	976454.5943	1804759.402	1396381.413	1471784.925	1682793.556	1329936.248	1437947.303	1491523.194	22822828.47	24660939.32	24483314.62	25152399.45	20509047.51	23963992.65	23135574.38	24879220.65
alpha-methylstyrene	12722210.37	4753753.674	10819873.5	7336269.251	8481858.537	5750436.433	11336216.64	7321839.338	7601013.94	4007274.787	7922756.084	136979023.8	9164643.354	6703393.189	6558506.293	4193116.797	8246016.813	6266513.824	12354941.8	8442250.757	10390550.91	5634339.545	6608985.251	4262369.53	8933969.784	5499324.583	8053551.274	4696819.523	8206352.074	6909074.874	7052003.191	4780766.332	7237549.631	5595862.067	7060206.919	5457569.997	7481929.513	6515574.391	9659231.69	3979075.061	9046697.931	6535065.643	8953330.063	4959563.721	9096898.11	6465364.536	10337999.01	7689997.632	6712465.55	4842964.52	10015870.53	6820960.781	7628725.404	25831715.42	10712589.02	7350635.719	7810572.285	4968770.358	7938494.713	5261354.09	8108892.391	5473395.486	8746064.321	6126115.464	10331052.95	10674208.35	14006673.09	9532584.124	6014127.661	3036839.345	7280457.962	4019844.337	7149559.302	4856053.017	8328820.73	5780204.361	7660899.019	4621313.963	11286246.81	8975991.5	1235599.255	810211.6802	810270.7413	829483.3109	870118.7076	872747.9209	797263.1423	815531.6515	4982256.407	5503154.843	5596037.522	5696346.07	4791062.807	4791285.807	5125619.752	5764629.113
3721	3776266.776	877701.2408	1154218.864	1823481.2	3032792.926	2153700.828	88092619.75	79191719.55	3405518.865	514127.9646	1638311.196	1963376.575	31617242.98	34402501.06	1639946.233	1385838.75	801616.3397	1001287.397	137392019.6	102011807.6	83975768.36	81546941.12	3055326.973	727394.4062	5119355.54	1045919.114	2850388.32	597657.7657	3825344.269	3519671.712	94234166.57	73875190.94	732773.1178	926292.8621	1526342.933	1040112.662	10225961.47	9354109.333	3695700.815	811671.3594	930304.1874	1246898.09	104566078.5	96597658.21	1861243.75	1287358.609	1646515.581	1328540.166	904427.5058	789358.8901	1871841.048	2256033.12	91647301.39	89551361.66	821420.1359	982113.2575	863560.8728	790031.4916	1064775.045	364398.6823	1062728.944	800840.2481	138142046.4	132088796.5	994070.32	1784551.379	9054591.185	10496530.33	1842391.966	311990.2374	27245301.69	24809566.09	2513123.053	2325824.347	10692016.79	11754462.99	20395211.04	32586512.67	54107109.71	46989973.28	1307655.31	1048346.629	1066525.361	1090761.696	1043113.336	801290.1249	790402.9665	831182.3437	15911558.32	18763640.74	17954176.45	17468379.78	19462335.7	18212411.63	17638713.53	16429057.25
11-Aminoundecanoic acid	123853077.3	42346805.46	116716952.6	71368009.24	104632611.9	68725187.92	112725149.3	71546516.63	116432467.5	67446718.88	112764038.5	79092034.41	108251459	69446161.18	97613442.89	55129985.04	12428842.08	76844855.24	119962892.8	62446276.23	54700011.6	29906094.57	52190974.16	30418256.88	32871529.88	30770172.75	44737403.52	28979415.97	32962278.79	27635956.01	50369152.26	27803553.11	73151787.18	52394035.62	49901273.21	36121880.93	45941517.25	49783236.35	36976968.04	25985518.78	134393576.9	88193479.56	136253744.4	70830178.77	99993244.07	64995900.97	106890177	67993775.88	127747717.6	79556790.66	110307600.3	80268057.19	122045965.5	49146084.25	116716446.6	80163352.37	83967248.99	65681880.03	102858283.3	54789741.3	34392379.87	27342954.26	46488089.69	29892823.21	51549436.11	33124071.53	51979902.9	36637396.13	51945971.01	31443888.19	47740810.46	20870025.18	45883953.66	35329876.04	44113461.8	33183133.68	61595626.36	38167254.49	54901627.15	41556223.69	18665696.52	19977413.57	19046252.18	24043568.85	20523467.59	21153053.13	24936466.39	20877559.7	75203736.48	68429650.37	83203224.15	66119368.13	68488299.37	77250333.83	64658382.04	80871734.24
Pumiliotoxin 251D	869995.2402	268562.261	3024622.399	2129108.913	11108813.43	6613891.117	96622998.02	63546349.83	11785548.27	6508514.037	6395652.54	3766425.283	82655387.2	57381613.49	542665.6011	341682.1919	2277256.222	1564190.024	47264133.09	29444190.08	61052943.96	30753623.96	562409.6375	353914.3229	21557758.94	12168892.71	27525730.78	15047945.28	15343463.16	10363264.16	35668055.51	16988576.72	1288540.855	893927.945	3733611.124	2608006.075	12202225.96	9276092.41	12946873.25	5298262.936	654161.1301	621677.2658	49367226.77	26572059.95	458895.3982	345330.3675	3027434.376	2301935.856	342212.1739	305674.0995	16645179.74	10974290.63	51671935.09	37768265.49	475957.2808	412668.7574	631895.9737	517078.3827	440700.6101	370543.2302	887794.2073	647920.7611	89057825.39	57666988.86	703901.8296	657078.978	41749759.92	29608324.69	537474.1308	241489.148	8967058.121	4936713.351	13297280.23	8252777.896	28178260.62	18037328.39	41964495.64	22228699.71	158652964.1	127206760.2	122297.6038	115407.876	126227.5782	136531.7378	150416.5903	151399.2462	173770.7115	168294.0822	10960771.28	11446001.9	11518892.81	11205422.34	10478639.29	10952814.46	11246709.75	11512698.71
N-Acetyl-L-leucine	3944153.273	3016527.928	4146399.027	594653.4608	923954.7814	1408436.19	20545502.44	49429149.47	565557.6195	2062386.214	763841.9779	549406.0603	18091882.88	29218121.21	496681.649	647999.8294	613998.9792	884550.6942	57906019.46	131922785.1	44489688.02	82500034.9	794902.9768	1720292.185	733042.834	1736561.601	890236.3977	1354027.018	865577.5261	2037759.263	29509137.08	61149096.1	610588.5542	502945.9354	663989.55	558112.7293	893829.6756	989006.987	821732.4788	1161633.212	755561.1004	967472.5852	36724496.25	72966506.68	659173.3126	860119.6421	990761.889	776477.4261	581110.0623	516183.761	605473.8337	575847.6973	31072003.52	52738896.08	606697.4802	1007072.847	876590.1789	656675.1131	597189.3748	515383.7497	714558.4421	429960.0777	71686402.18	124578713.9	3206986.433	553830.0007	4771651.73	3303873.117	639153.5388	2129326.41	972892.2346	4691194.418	905389.1953	592746.9474	5652971.533	11264069.74	14705246.6	28903480.08	33052642.39	34150334.93	2107405.061	1743554.079	1794961.268	1861678.514	1808747.123	1625353.298	1759151.899	1848538.941	9372317.698	10101884.68	7826378.249	9402679.444	9605709.379	9152317.688	8501825.151	10042515.64
NP-008993	1521832.281	774180.6135	4022075.034	3216186.162	4672356.445	3348650.681	137141701.4	77761776.9	6740211.968	4466937.585	4826184.415	1951788.844	33980897.24	29184662.84	3546472.217	2078080.623	3861764.047	3007761.36	39555817.03	36392188.24	58629573.78	33154776.92	1339398.5	2092565.003	5149270.628	3400941.245	6481658.623	3735939.199	4259449.222	3793430.642	28831304.85	15630863.55	4065298.627	2346735.172	3135635.105	2721357.176	3456486.708	2638184.814	5069945.438	2841491.732	5003452.198	3428366.97	25759648.18	36561526.71	4410892.087	2403582.454	3762011.868	3129221.076	4045183.782	2959848.809	6976452.131	4694195.792	48820911.24	35790034.82	3361288.015	2801505.776	2819162.768	2336187.822	3776849.582	2316100.016	520977.122	1418091.504	82905380.36	54778635.46	1121576.539	1596723.305	9947395.656	6602201.824	2547474.722	1412816.286	3211187.725	2204235.053	4731725.119	2865184.763	13941246.46	9267405.446	26686758.45	16643744.6	71338291.85	40448186.72	439369.918	363299.691	212825.8175	354300.737	603181.4882	604749.9035	768726.8179	645210.2002	17891971.53	16412487.25	10664453.93	12988872.8	13701367.83	15964422.12	16797456.24	16035593.04
3-(4-Methyl-3-pentenyl)thiophene	87279372.8	21050385.98	90160444.15	68138465.05	90263671.67	55056939.65	60386009.27	27438673.63	125515370.8	61300729.59	94803178.48	49720694.76	62400529.92	15673609.28	18800149.61	41781706.35	88223538.22	68986353.95	133610184.3	41538750.09	118730380.4	46582176.82	57772848.1	41264633.87	72808221.73	40540630.34	82660681.57	33956917.44	88861168.1	48100646.03	65594829.93	25237096.44	110088460.9	60488623.92	95915839.23	62038380.69	95583376.81	61189023.42	72415582.32	21352390.46	112227764.1	72726766.12	109213574.3	39478826.43	97757112.13	50831610.41	73497978.24	46287610.39	79997863.76	47095303.99	101340137	52062843.21	52322537.8	51195984.06	99472181.04	64852709.45	92711966.57	44644326.13	2173484.689	38517495.75	76339192.01	34107511.31	117744844.8	62922413.69	106269831.6	38666603.12	91678001.37	85764890.2	76816026.34	25358912.24	92593960.44	30028598.61	2674394.222	50964967.86	127763769.1	59648394.91	87167034.06	40261177.1	104691424.4	71303244.43	788329.1673	28442.52081	397423.4755	24991.04229	24525.70843	23221.56681	23746.53446	23668.5484	22495242.87	59172398.71	56758415.49	60167991.53	2022390.6	51679881.65	55194436.26	35023244.62
Gabapentin	7536352.358	3519829.239	4205514.099	2846182.563	4149522.49	3401566.859	85603069.37	58018893.21	6114919.991	3985713.88	3687750.506	2524696.32	41842478.46	28619333.4	2656767.181	2128097.077	2261230.083	1906624.282	47203916.64	32525939.28	59504510.4	35326131.99	2377174.747	1661182.307	19216528.16	19625685.48	9905111.436	5496011.933	18159603.3	11678107.82	37730098.63	24689610.34	8211925.306	7578767.999	4018184.505	3139099.203	11878619.73	15668251.93	61741124.51	15186232.09	5004588.608	3648711.141	49922975.08	32044054.81	2391755.527	1913044.515	1675036.886	1551305.494	2530345.105	1393986.311	6908029.304	5382168.219	47472692.6	31406398.8	2372910.652	1842512.649	5952131.427	3923225.74	2033216.164	993847.6631	4104964.313	2864800.846	75640412.42	51447191.64	3433804.231	3104599.595	21489451.89	18011037.48	6538573.135	2543949.465	130357824.1	76190981.35	4890890.695	4266531.046	19930386.08	21767462.35	26322210.62	16279755.46	73391023.73	44051656.44	132850.3141	482748.2057	366434.381	444395.9754	450569.5531	490590.2613	481954.5666	568399.5031	11592305.17	12333869.27	11472705.37	11904438.84	10989291.84	11649633.58	11845183.74	12014529.33
3-Ethylphenol	74478254.16	35350202.46	52413635.66	36915630.02	91426485.33	72050273.66	49911895.63	38092262.35	39502312.3	22919575.9	36673625.94	31608881.71	43822750.99	36327296.8	34762635.33	27407948.73	34232024.39	29188900.98	92558272.19	62606368.93	37614007.66	24127944.09	35348266.57	24131816.02	18395141.06	12677086.9	18930137.49	9983935.523	23299009.39	16457829.84	35512409.98	20417918.41	17317060.76	12461234.83	21087197.25	17314516.78	16859552.24	16914191.78	55612447.14	25437150.24	35011168.08	29186893.78	80448642.25	47912452.7	82591843.66	61099144.91	112715906.6	88252520.78	38872070.74	29052919.75	52048498.79	40696124.77	42629303.91	30314877.61	41114984.69	29746291.75	37593005.44	27371442.72	66208273.46	46045525.23	16935790.02	11803389.73	23485015.13	19893653.76	26351693.7	20869880.52	125952391.1	92517394.35	17417705.57	9998851.504	24288623.02	15699359.38	34580746.37	23014936.62	43424211.02	30481555.45	19514276.69	10858205.61	32197124.76	24712575.55	972273.491	1714652.377	1851897.301	1567929.44	1396194.373	1256610.866	1319716.871	1550424.082	39317036.69	42581635.32	43547856.96	41486422.77	38272200.43	40906213.09	40307450.32	42639440.38
Trimethylamine N-oxide	31396310.69	12082013.45	34046537.31	24251894.32	26844760.02	17605739.8	19083454.41	13261628.79	21685245.26	12612791.1	28366061.16	17363870.75	21052193.18	15377940.88	31456565.58	21819030.38	35076486.07	26527283.5	33394990.24	18762044.26	25380965.75	15352387	25898684.89	17643092.62	23409862.68	13115108.35	27911834.58	14630644.71	29937789.81	20084998.09	28373107.67	13972038.02	24032162.46	15405537.73	29443895.94	18913836.55	21106751.09	16479647.85	23560961.15	8931296.977	34010894.16	30952386.7	56805689.41	33459193.59	34300270.46	26408047.54	31130424.06	22170832.48	42256187.33	30558579.87	31328290.34	20857912.83	35737859.19	20494138.34	29677610.91	21764608.28	39549122.64	24556782.58	33045956.89	16638622.49	69443117.19	38666338.21	70910433.39	45811789.42	121656804.3	85927169.1	66307022.82	47593469.22	50596782.55	36950962.25	69326904.61	36199361.6	51035593.46	36718385.6	105751226.8	70709793.99	61106840.11	35837086.93	52805683.54	36769403.39	3225219.063	2021704.455	1925264.825	377569.5006	2560410.94	191422.9126	1558085.85	2848165.228	26008837.64	21083857.86	23691200.04	23500091.39	23355765.72	24426518.62	24012959.6	23645042.18
9-Nitrooleate	15661811.75	6985698.014	12398445.83	8297371.405	11473528.1	8037643.509	126716624.4	77738154.48	17462576.47	9208683.305	28832415.48	15414083.74	45898102.43	42962133.09	18905118.52	11211196.02	15023545.81	11646463.28	67990737.91	43751703.85	68693234.66	32715965.76	10851276.1	6597808.366	19390358.64	8783447.45	16377645.62	8386657.979	14887511.81	8762545.344	46019825.15	28436363.19	22944709.96	14568212.45	44382080.67	26072765.35	12263174.73	8236366.644	11604087.73	5333498.626	16933446.37	10822212.02	67548461.58	36315753.67	12550189.91	7957278.224	15358326.68	11518779.96	10049906.24	7375538.345	34768704.77	22495629.32	52575832.79	29888119.05	10842475.27	8192708.545	10942962.68	5960995.12	21752261.44	12211437.66	7350715.595	3805847.5	94584670.74	66085562.29	12402181.94	8228933.181	23168393.06	17056503.12	12662617.66	6366737.675	14263599.31	7981661.34	24668344.18	13558195.84	33890906.39	20710593.84	34325626.06	24756954.66	93833197.27	65464477.2	1056515.974	920007.3564	829185.0717	857315.7709	929783.299	943977.3056	1067980.825	1117912.373	18021371.76	18481626.42	20134948.2	18647963.57	17455411.07	18391240.57	18723285.1	18760922.83
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one	69571727.78	32892175.99	48373807.9	36450523.58	88929996.37	69868538.35	41496879.54	35791165.52	38151107.4	22678761.77	33689175.49	28519617.06	38413122.72	28585102.47	33624773.4	24656594.44	33936989.6	26914162.58	87073892.07	58402975.49	33048403.75	21685675.32	34673920.65	23703084.44	16206593.01	9194042.05	18345838.18	9154589.4	20370721.62	15748398.02	28801290.48	17989348.78	17018355.9	12799845.96	21534576.5	17836663.9	12157104.06	10056783.31	51279535.77	21446346.34	32728878.67	30320542.62	74034160.47	45933182.24	74415900.29	59836133.25	111461223.3	84187978.29	37886875.74	27200166.8	46326434.98	36275085.16	36792814.74	26277412.14	40679474.78	30287030.21	37451712.78	23570949.44	62609891.54	42659084.2	17502174.54	11499799.8	18503146.46	15281623.75	24943584.74	21203952.42	118539969	85990692.43	15662591.51	9680622.425	13444045.34	8898431.001	31824203.04	21660987.87	37763217.08	26965406.96	16294063.53	8253498.846	24564875.84	20212412.99	1271517.327	1709180.924	1862894.912	2039357.939	1708657.742	1369067.658	1359386.318	1575426.032	37714750.98	40007824.08	40871516.25	39102219.09	38510447.06	36950937.42	38703428.86	40522483.35
Hexylbenzene	6268457.038	3338482.784	10318321.04	7241643.847	4916840.402	3480905.833	3785052.176	2658345.339	4650037.522	2917165.669	6675850.061	3328676.59	12102191.89	7328838.193	4627778.626	2885929.175	9815028.538	7216084.416	42011129.87	26258772.39	14134451.25	8916415.532	19874015.26	11754589.92	12161440.88	8305605.425	9519903.096	5796469.394	51912497.24	40606108.61	5921865.446	3046916.051	5339436.109	4313816.405	26974905.48	18853719.97	8216642.284	6929977.488	17446453.43	6565902.988	3454335.231	2810403.266	5576974.163	3203075.124	4675565.026	3069268.43	4024831.131	3117487.379	3754472.088	2152450.347	20285334.39	14359897.91	4092929.913	3327177.987	3131308.791	2143591.308	7855961.369	4508211.009	3528388.703	2474170.537	33715907.29	22099585.46	21753537.18	13549784.65	112246092.7	87530179.46	51913624.02	38545909.65	2427459.96	1590623.023	6658521.681	4066015.324	6002995.151	5674797.215	13817835.39	9377103.936	29628578.07	18262783.45	40357887.65	35672650.5	299463.2218	285991.9042	264039.6796	308519.5004	293777.8788	227763.6595	234928.4876	321698.2767	3177903.426	3216488.004	3092319.289	2964913.903	2952966.095	3554447.352	3127374.949	3045366.997
epsilon-Caprolactone	74249459.48	38530150.34	46528690.28	37290683.46	81930944	61529510.75	37680803.85	30998084.87	43442592.1	24957729.63	35405629.06	27585150.92	37077370.01	29940623.95	32985331.16	25708070.84	34912374.88	29936680.23	67199646.86	50671589.32	29547448.05	18497873.62	35105971.75	27562885.7	17352237.05	8970214.061	12737314.71	7882299.864	22106437.11	17197167.16	27357866.23	16038215.91	16845362.63	13482826.25	19677594.14	15691365.69	16828896.32	13453980.08	52370571.75	26428265.55	34384385.57	27058061.91	63580055.02	43471847.39	78342146.98	65470699.88	93632604.8	80712198.04	38944853.18	29984731.57	47260908.41	42392892.23	33730772.68	25415763.61	38304055.17	34893884.89	38012059.14	27398409.98	63601731.4	45191650.85	17907369.97	12294962.59	15848770.45	11927824.44	23489508.52	21147112.05	113786577.9	96227910.3	19420545.64	10566412.64	12210298.84	8826547.212	31768515.82	23886254.55	41285752.72	31526632.21	14969346.14	8660491.24	20772892.29	19884947.83	2928655.41	3291168.473	3246775.689	3191036.566	3403820.552	2621528.201	3037337.077	3152520.508	39133341.09	44272744.68	40853169.57	38775386.85	40118027.27	39233208.49	42171491.36	41332960.93
Irgafos 168	99372902.34	43401752.33	107529521.5	75809574.81	50866112.9	40136808.61	70636350.87	58523502.51	56728296.39	28462719.26	83762142.91	46953953.42	56214762.96	44383636.42	66127407.69	45429073.47	59522237.62	52643518.17	34590258.73	25991254.49	82310792.4	52960049.7	58137343.81	38951634.52	66461243.5	43649196.28	87187170.25	60961287.58	33234335.54	29631443.04	66299991.14	25773062.78	78901357.11	60196877.05	36879238.21	31771419.12	82041589.39	68772888.15	56041121.68	28932962.94	19641981.84	93218070.86	72530591.16	43410593.59	73208324.66	52310420.28	71260057.52	57575345.33	83474357	63346884.72	82048045.11	59486431.88	85713147.24	55051180.97	107839494.7	81450734.55	70443115.82	46939752.2	75897614.45	52626172.33	67469058.67	43559386.52	92107781.08	65555293.3	55792703.69	48605055.58	36629338.63	27568559.57	76632290.49	47534067.44	70762440.01	48701364.28	84942627.64	61337232.91	63913226	43204409.03	48873155.14	31793108.09	63069063.87	58576802.15	28735531.7	21019683.1	20029765.39	17780644.16	18769343.98	11523529	17335991.83	16837464.62	48017570.47	44115684.61	48653876.81	48278698.75	48498837.1	45812069.06	47039193.67	46952884.08
Militarinone A	79106783.2	55479426.99	52402577.35	45152672.52	28994923.2	23866339.96	37005416.99	47916377.72	56064223.88	43762589.62	49246793.33	28775881.15	42599881.84	38388640.62	64715049.79	46522464.18	54431437.72	52091883.4	25250740.4	24878917.37	68416521.26	50151378.83	49400432.87	37305775.3	84549742.02	69605790.9	123578305.5	101499224.5	36998879.58	35369045.89	49292033.69	32222956.02	44118124.14	39416760.13	73021604.76	59768864.19	73347582.38	69659244.71	58572112.42	43021008.46	85087737.77	61377330.34	20386499.75	14857692.18	35729907.26	28988885.51	31163198.98	20840009.68	56758188.13	48261784.59	48065599.44	43638761.37	37900946.3	32253727.76	73388616.71	55762265.47	55453645.48	40233771.02	29543082.09	32162966.87	99215426.27	79203337.9	58800913.36	44292570.37	28169906.42	31808159.72	5377981.295	4923514.41	72477351	51796756.9	64568598.33	52447964.83	61775664.58	51086875.95	51544473.01	44635499.18	72326573.89	53000040.01	49021087.89	44719868.6	43964647.42	33165212.75	30480147.4	30872500.42	28762715.27	37333237.46	27747785.43	32892477.27	27550954.63	20204112.42	21306022.43	19268932.56	20214942.74	22867315.71	24735380.22	24879429.33
5-Methylcytidine	56498217.85	15573245.64	62461733.03	34092594.81	72289889.76	40471150.75	28638639.06	22366346.78	46297648	30650690.25	85454113.16	48013410.44	65916541.96	47703601.89	56041213.84	47508015.18	84301047.83	54496799.02	51730519.13	31481531.98	53711624.33	33137243.36	70195049.81	31611484.94	67791531.92	31746017.05	53880962.09	29401840.63	51111407.25	27065967.14	54169741.82	20410279.93	81513645.51	45889983.84	78510684.91	37449668.32	83090504.86	54846734.82	63738637.4	10429110.07	70904712.32	35761553.25	54127154.85	25651010.97	51169849.59	36384645.48	62488425.05	38094842.17	68767476.2	57189810.48	82901740.88	42060013.12	38745103.07	21803328.44	89800426.72	38714763.36	78011575.93	37927634	87368294.27	32559000.78	42489065.79	27655111.77	96993662.33	43566662.74	57371735.12	41000991.54	76239442.43	40179038.17	60273828.36	27795521.9	92557945.95	34987049.49	76596133.3	45474669.15	75455458.96	42198694.03	76633912.62	40716955.1	95857438.19	62556079.02	142766.2941	130203.8641	131209.3776	130395.1678	128494.1127	129050.9164	137696.8924	142563.465	43478457.7	37673790.49	48233882.5	36888319.12	31649165.55	35461499	46572907	45235705.16
Hexanal	3143363.947	2531338.118	2739181.643	2088144.389	2662337.167	1667008.926	68080970.21	59760247.08	3345871.597	2082630.462	3135852.361	2214055.372	24477901.04	26948987.58	4498618.826	3151072.313	3550753.536	3146057.771	111981599	82576525.1	54447478.1	52313273.92	3224302.54	2495052.099	4098445.119	3348454.886	3311565.538	2299411.999	2860863.183	4875305.251	62433954.76	50247194.97	3894522.997	2416895.551	3031788.339	2799480.512	8161135.414	8339894.864	7434789.23	3330437.887	2549165.716	2050350.425	66830287.31	63624945.39	1648118.533	1111931.789	1462684.475	1045162.773	2060023.147	1452995.734	3628670.543	2861673.164	63854394.22	59263266.64	4165840.617	3337449.968	4212583.205	2571215.229	1995952.372	1436605.301	4212764.687	3071950.957	91266179.15	86371604.05	8824334.54	7973549.621	6734394.423	7141987.839	1448909.652	2032847.38	19801798.54	18510023.59	4433810.999	2833306.438	8520992.36	9002338.312	35571105.42	27646735.44	47029772.88	39772323.31	1248068.72	251961.5619	1251844.597	1284568.917	324692.45	1199135.642	1230609.07	279071.5033	22217300.95	23692193.14	22703328.03	20652802.72	21507817.16	22280181.62	22648047.67	23191573.39
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine	61836509.85	37785125.19	91057521.26	68933525.67	81487927.75	69174258.57	98454519.31	63647399.5	65588443.49	50346114.76	87053921.8	70680539.9	76635888.16	60669958.83	79767903.6	58512516.34	92859429.7	70131822.97	95568936.85	71627263.21	68689560.19	48488893.7	94541946.77	77912857.96	101108471.1	69452326.65	82291626	52392656.1	102140904.9	78159516.44	93105229.7	66498957.87	78169397	55469926.22	95025985.75	78039674.55	104045864.1	83347191.11	90451119.31	55439524.25	83141621.61	71813419.32	87524012.55	66790377.65	70592836.16	51342030	69097254.02	46840585.34	82427397.71	63702834.09	79998690.53	58203109.54	88189794.57	69945476.77	87343217.4	74367306.24	80303570.34	61399036.95	79052763.42	55303867.18	81542302.83	59765068.61	68276576.99	53448732.31	88266398.36	67409722.19	88620874.98	73836277.62	75199651.43	49077119.52	83429838.66	66466677.56	90085784.76	76829831.21	83971417.57	65692303.25	81733059.66	64411922.63	72020630.02	55705263.21	484917.058	412400.1194	451808.7844	435255.5215	402503.0992	450133.759	454464.2746	520850.1289	75613274.37	72206054.04	69854161.98	69013620.19	68869615.46	64561764.61	74307432.32	78430133.06
4-Methoxychalcone	534000.9381	180932.9349	110962.9605	108899.5079	22344184.5	15686237.75	110727.6613	87799.62518	365925.5381	245115.6818	1180865.045	765709.6208	101450385.9	81666323.04	840929.2352	581906.1394	85356.86198	83166.93154	1061533.327	564598.7277	277697.2207	153829.4589	128299.7411	95778.39548	2962535.681	1775474.722	4198022.816	2251971.997	656400.3561	414519.7812	139980.3495	109528.3197	545604.7782	428224.2704	3598421.811	2749175.823	472268.7229	358268.3766	1212427.511	491650.5525	114481.4002	111826.4999	106950.8717	160155.8682	177903.5438	163384.9827	474795.7964	339702.4183	196592.7055	194064.9711	208517.2744	118961.6741	957276.6295	629359.3941	156430.511	100549.6179	1871603.542	1185161.203	262567.9577	144321.7834	506553.4672	336017.2499	201060.45	111447.0896	143667.0528	113335.8839	364844.9476	360574.9657	294394.6285	174100.4772	324530.491	221078.4634	120834.2097	122228.2058	147629.0623	187531.1633	6966840.746	3994758.106	12005107.39	9283924.718	164301.4825	221704.8581	123649.3046	119628.0632	151647.007	203947.4106	227624.937	232065.3311	8248997.663	5758670.496	8137856.573	7733866.676	7290601.054	7467335.169	8016038.061	6960382.082
Prostaglandin E1	18456137.95	13250233.38	632225.8718	845122.2225	7335213.316	4926259.705	12558228.29	10648924.79	35155477.93	25201467.18	55145793.21	5622131.133	4799994.93	4148142.143	18838330.38	12545296.23	2866181.424	3127557.974	14811568.3	10984550.44	21157636.18	14525214.94	10388459.59	7870993.526	5049365.805	3862447.408	63328801.99	47082546.57	10230623.49	7430903.931	15442109.02	10175774.34	10399924.19	8617942.417	114174484	84234966.81	4376265.773	4338746.2	9840272.281	6195218.515	5175379.393	3830693.108	13891958.11	9041797.817	15598320.78	10692130.11	10431701.81	9424812.649	28547956.16	25467981.93	52735934.06	36404794.09	12746589.94	8391302.7	3025988.518	1507040.153	6465655.754	4862294.856	16361236.29	13575162.59	3145246.65	2051605.366	14975545.82	10031988.81	30295166.76	30189609.77	7434271.507	6771048.039	50899085.48	33622345.06	7317772.499	5614611.962	47363975.33	35669596.31	20814255.43	16327601.98	6803959.265	4523253.935	25299122.23	23284225.49	453785.2623	345429.6283	165796.557	301860.8206	333165.8979	185659.8833	235162.5287	255556.2959	15603975.99	10479014.37	10498544.91	10564673.18	10603297.21	12898779.05	12726553.4	14208374.21
15,16-DiHODE	30090086.26	12773546.28	42443151.71	28059281.18	28966537.24	18543527.48	105152638	81337279.15	26744287.69	16208705.7	32233744.89	17957954.79	68530784.46	51163229.68	21905524.26	14871907.91	47415838.82	35608591.82	87436404.44	53493132.19	71646451.94	39819984.95	18033051.07	11270655	34126939.51	20795651.43	26024914.07	14542425.55	18614512.63	14408341.83	54110744.19	29335205.76	87522670.46	57159557.58	41186778.51	30074763.31	37552948.98	29307534.38	28905910.5	12794611.68	37949244.28	27782240.15	36038581.27	42741704.19	31033574.54	21255743.69	27901794.42	21468869.29	22293032.03	16072187.16	38717630.86	28420265.2	73585001.19	46793612.46	43246965.14	30439765.05	25341695.72	15326429.5	33391852.29	20274322.45	14648036.77	9084936.461	83726987.46	63020450.37	45033419.5	35608595.39	45094668.93	31540462.61	15970913.61	8240484.641	34816618.3	21307366.33	24158914.66	16667931.3	33086509.59	22941581.47	42369966.97	21325724	107911349.1	97014951.97	2087342.788	1972400.231	1667252.583	1654138.279	1836385.743	1790206.834	1951992.514	1898334.951	22229213.28	27729291.96	27234460.21	25105892.99	23912822.61	22921028.87	26717729.84	24772111.73
2908	55242449.39	14531913.42	46940479.27	30004957.4	49222257.02	35454968.55	26553137.68	15576946.71	51917256.13	29294322.42	41139814.07	26287702.16	55782483.47	37436374.88	43307435.21	26038521.26	58340574.73	39026961.29	65500805.05	34326533.62	78499257.26	35581295.54	42031882.76	19093410.62	56786433.43	26937388.23	49313959.35	24631275.55	47020788.22	27761614.29	43026830.85	19423874.45	68275666.92	40911561.2	48061945.8	35239435.1	59587028.12	31626622.71	47290793.28	16602136.41	52971943.42	42392908.68	63771815.77	32511058.65	63295303.86	24034637.88	49520902.18	33012581.72	46220028.17	29739125.84	57849819.44	32612524.47	58757767.05	33404718.11	96301537.75	37658875.59	50174614.85	28595999.89	42426380.28	24813901.78	35911244.91	18183074.34	51970956.22	21908161.91	53292590.29	39169818.02	48189236.09	29035802.44	44360865.44	22957540.27	42290054.79	23988181.59	49114315.43	27226702.08	74325426.03	46014756.18	59843011.53	30112914.62	47620008.67	32914902.61	929532.5191	863278.9386	884839.0984	930270.2831	910395.9069	1079573.884	48801.55325	1065432.17	41757599.77	45199440.25	49764924.6	46216134.64	49254691.2	44240775.48	46142422.62	42395606.67
12-oxo Phytodienoic Acid	1470388.972	963550.9562	1735780.795	1399861.24	3399229.748	2370992.213	86627343.9	57028785.57	6074878.325	2984569.484	2737546.435	1766169.455	43081728.89	36401060.59	1126442.106	879476.3804	1580801.289	1476289.963	49800625.06	33167390.1	45923647.76	25342919.36	1318631.741	898118.513	6094733.507	3564849.16	7877550.35	4330677.992	6748442.705	4198708.64	39091888.15	23475542.34	1237627.96	1453370.448	1535091.391	1142937.283	2699961.067	2189532.063	4443072.789	1971518.46	1316180.267	1090903.989	57277974.12	30447425.42	1256178.282	1001949.723	1574155.258	1201515.912	1163791.768	928255.9881	6075486.157	3490986.04	48216872.44	28432121.13	1232858.553	1103893.043	1267698.903	1031723.466	1165850.088	851894.5504	1364085.349	1098548.91	93920100.17	55731946.72	1845034.81	1720729.775	14497666.14	10544248.84	911090.0106	952230.5307	2984953.635	1753761.368	4770229.298	2993821.84	14922310.29	8926690.042	32215830.6	20207807.56	74927925.52	61352081.41	389944.2815	512600.5196	350295.394	482210.3505	503454.782	465548.1865	400793.373	427310.6661	8216119.35	8667327.486	8552830.135	7937338.199	7359680.309	8683546.908	9106849.161	7920774.443
n-Amylbenzene	12401289.7	5417645.891	12755054.66	9301816.54	10203747.52	6492545.396	8324062.114	6547434.115	8489571.688	5284925.478	9614607.037	6714920.435	16456324.71	12221706.13	7257642.594	5321554.094	10970225.92	9690402.416	34888068.67	24882030.37	14780767.88	8752589.859	17386776.4	10833709.67	12274566.41	8225208.513	9882412.065	6001755.726	45306927.68	33673019.05	7368021.809	4324903.215	7875640.565	5693800.96	24053475.22	17441966.56	9712073.852	7333653.256	16240089.29	7386558.464	7415262.013	6209354.19	10898212.83	6034651.775	9055680.469	6683779.937	8891071.829	6931844.788	6304225.917	4400181.27	20347212.41	16434253.31	7547719.088	6148214.995	7564649.495	6041325.159	11182498.79	7768352.223	8023127.105	4463692.65	27913804.87	19009298.28	20924846.14	13972413.85	90017510.28	72788926.79	44072360.78	36142825.16	4506352.049	2366118.46	8175620.835	4987206.635	10152030.79	7071219.164	13773529.29	9553416.057	25081431.75	16336343.97	38103011.2	30264539.57	599382.2805	554719.5716	569750.7715	979049.1831	790389.416	541973.9776	563814.3936	672593.536	6978218.799	6607878.27	6744944.734	6912283.638	7013779.158	6511071.96	6912971.281	6859955.046
5-Pentylresorcinol	33561598.89	15934932.97	20549303.39	16513185.73	31561466.3	24040186.92	36756086.08	71755130.53	22552237.48	14779844.87	20798709.5	15494614.38	39758952.84	36208269.38	17759406.55	15034851	18203984.12	13942936.3	49390826.09	80780586.48	57638023.88	45300234.35	15032851.99	9569305.595	12056823.78	6123994.179	9726031.703	8959608.857	22261667.72	16314334.82	26836554.53	53010166.44	9245978.978	5897565.377	11565444.69	9351376.509	16475445.18	14563468	18643680.57	9565525.675	18545947.9	13814754.64	85465754.51	63424852.56	27391256.63	22491254.44	34763693.57	30478896.22	18982490.73	16282749.2	23379841.69	17877407.94	31498066.41	57889311.05	22046432.55	17206661.36	21827621.82	15096136.02	24676208.7	17632666.46	10900561.91	6714846.313	37874485.02	13103034.34	28281949.45	22172025.63	45372941.41	40735452.76	8044463.174	5098247.186	34916301.09	22684229.05	13931364.69	8536818.813	22762853.11	19461771.61	36748943.47	28356079.47	45594448.04	55163109	3694802.313	3646687.979	3465238.982	3732100.777	3931735.739	3562638.98	3692837.212	3780460.652	24638914.49	27686026.2	25636238.39	25649602.16	25429242.7	26261812.2	25909554.12	25602205.64
3515	38733024.38	19075969.21	31113190.76	22170833.5	36231095.13	24082562.36	89215914.51	62235926.47	31321216.6	20271572.29	32043177.3	21580326.56	66232480.82	44968190.27	23833582.98	18877450.14	26314471.39	21128502.72	72368573.52	41552369.36	63696328.88	36099853.08	18922613.22	12265245.78	21654244.13	13357346.64	22733275.33	13528317.68	24552139.41	19260814.76	44394636.19	25722708.39	15657410.67	12584101.15	14802465.25	12463438.46	18861237.4	14364817.9	25563360.52	11997424.04	28511439.06	21748978.82	78600236.43	45644254	33566665.21	24247233.67	35747437.81	26763641.14	24111084.15	18926153.2	37099570.27	27491097.46	66003864.63	41639300.82	30611483.24	23750369.69	33270702	21287049.37	25706391.23	18217104.42	17460651.67	12033077.05	93374430.39	60028049.31	29656270.64	25853602.48	50969068.32	43753935.14	13009585.55	8907444.8	22411193.17	18312544.8	20710413.43	14817161.81	26999012.71	19814550.17	39517817.2	24207448.71	85535751.02	69605527.4	5504103.325	7024454.856	7979969.832	8429516.153	8904046.71	7369792.038	7598995.566	9171947.572	28631702.78	30112223.51	33126162.87	30962440.44	30892697.88	29597968.13	29512105.98	30628059.46
N-Tricosanoylglycine	526926.7361	276915.5646	569005.8389	683532.3268	884059.2144	376804.7466	77277249.31	51909070.72	816133.0882	611615.5144	446387.3872	878796.6906	4229513.603	3026655.675	391429.9615	277792.5935	518138.0505	480775.3089	63478221.32	38149973.17	78062020.06	41900050.24	432923.3001	348924.0392	392034.2218	302560.8574	506474.1642	365307.1958	476196.6238	457027.8703	43419948.37	19061818.94	731115.5358	489880.2804	516396.918	426031.5698	424357.722	371838.3555	531911.2395	278656.3924	446418.9367	711666.463	63837124.27	20775800.27	719828.1141	455230.3826	449823.484	379784.7863	563860.7156	617191.7652	599920.9458	1221583.633	48691309.29	32359560.86	822038.6797	404143.3668	727206.6792	392610.4361	439413.4072	371591.4579	499524.9512	393669.0314	80717569.69	48129134.49	686320.6344	640897.8791	693228.5733	971669.0051	321281.0464	270930.8588	434874.1831	426174.0809	488878.1463	382390.3854	426680.7114	561079.8279	46862713.23	26730723.58	22231486.66	16763800.08	202245.3194	145515.4871	146239.3496	138315.4304	154568.0408	166026.8582	200515.7382	224377.7735	7990291.667	6726774.599	7322657.005	6797526.295	6659506.513	7772131.34	7355651.543	7517526.495
ARECOLINE	1778989.91	1186065.595	1060299.635	922995.3872	1092199.201	919076.6912	36792876.22	27422209.26	1592450.527	1283452.537	884640.9339	1027771.481	18284087.92	21543707.38	1705117.633	866792.9952	934333.9904	416085.9068	58888638.95	19674814.54	40053778.77	53892518.3	928652.1365	1032738.279	995730.1012	809337.993	518583.2305	356506.3877	900070.5397	984134.9367	29193093.46	39770625.37	659906.43	1065211.518	458302.1511	724521.0577	541538.6707	784199.4131	727557.6808	860298.0592	1062215.208	434788.2267	33503373.5	49024779.72	688652.3281	577478.6242	945933.3189	988841.012	558991.973	363678.3204	1001797.913	862955.0003	30497167.43	37055390.22	685053.9832	856850.082	442572.0268	926579.2076	562367.7769	788329.5558	784007.5929	359859.8695	67220906.64	85705156.22	1144853.89	747798.9209	2285329.128	1469992.237	868135.1745	971815.0204	913373.6077	2608461.957	896541.3242	1232023.941	5512046.545	7303552.328	13401773.99	17423300.45	27750404.24	24748892.64	465844.1838	793624.2573	249165.1277	835463.953	244428.2852	2246526.503	2762735.377	2743101.402	8105656.213	8098554.199	7375465.822	6735340.755	7348491.11	7396073.377	7608386.286	8503235.279
(2R,3R,4S,5S,6R)-2-[(3Z)-hex-3-en-1-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol	11306157.46	21678839.97	4761450.921	13276098.25	49136301.75	8581043.763	3090373.712	6798880.018	22038612.22	3376355.414	2059363.845	10141371.16	23622380.83	8289016.678	14246264.7	9821051.862	18130036.61	12977052.32	9452046.944	4906458.416	4161862.417	1386421.522	8262650.966	6984646.936	1404612.015	697511.0369	1387110.689	2527292.339	11684639.7	6877778.763	3853577.21	2654732.461	1339552.591	1186849.095	3105461.924	5101689.077	860496.3018	843901.9486	6759131.311	6067727.845	14456888.74	2597730.504	12973481.24	26083158.44	18978366.07	6999097.116	27663767.69	21816653.2	25295151.51	17207109.39	20302025.5	17071966.84	16504247.28	9892912.867	16230934.89	12704958.13	15093483.76	11069344.72	11498997.01	6121626.077	1511148.143	818741.8874	1478906.878	1465371.58	1912270.839	2333675.568	79357511.84	33827097.56	1225092.328	2996054.158	1188407.421	2184495.477	5624501.893	4112139.645	14966481.66	7973346.898	1571917.77	3371350.081	2147106.36	5500097.554	957248.9236	945365.3799	1016358.679	928038.1196	1011352.901	814003.2407	951054.7106	1195083.896	7596031.729	10442396.55	5316691.366	9096104.203	7615525.205	8170371.256	8476578.6	8193726.072
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âaâ°.0â´,âa]hexadec-10-ene-5-carboxylic acid	3168648.356	220412.4518	2344573.718	369903.0034	1849219.204	645735.6697	488728.7438	364124.7713	1010528.637	287933.2809	1629851.279	324318.1867	1820389.789	430639.6249	355833.818	253118.4638	1094388.818	448831.9821	2526631.94	1760554.79	1241015.743	508227.228	1642580.737	1233769.809	1235092.685	860942.1739	465745.3869	351056.7264	466800.0785	1238388.915	993079.7407	308329.2186	81968281.92	53590774.49	1988678.725	1696317.631	1310502.067	926905.2095	2046629.97	1388872.73	356874.4966	315065.6526	374298.8105	294324.0564	1939987.982	317604.8631	384161.3635	1088993.754	335613.2538	300798.6049	2959149.295	1583281.217	759656.568	291695.03	1679103.749	821572.9766	1096990.74	337208.8449	1671053.185	2069593.232	1354313.896	788012.2123	1565008.061	1088097.661	2862656.187	2141485.009	2388735.646	1913853.436	432771.2436	217415.2605	1364763.337	538704.5553	1654669.761	1624001.124	2628332.21	1866917.46	722429.0955	434384.3176	2193180.21	2115116.107	155444.8259	125536.3932	105074.5507	119488.136	138927.0748	201435.9291	198911.0175	232836.3882	1819733.777	2144491.529	2152617.713	1688961.295	2518412.964	1833577.697	2057405.819	1806285.545
butoctamide	58094626.69	29140145.18	78544587.42	44774397.67	50043164.41	43461707.1	63659768.05	37133889.94	82518443.55	56952702.18	39770137.23	38511355.06	49022584.7	38002411.98	48849932.3	41422487.27	75438212.44	55968480.48	75201593.18	48506628.14	4005150.481	2784556.692	3517049.758	3085438.689	4191733.78	2966341.959	4308140.42	2507937.654	4936431.173	3669984.977	3572417.173	2660809.409	4932477.234	3385028.118	6412283.609	3559918.162	3938505.728	3792167.34	3900300.08	2267677.328	54858423.11	47458725.4	56970411.58	39763292.67	56527060.59	34806399.26	45539080.98	40802516.87	75129354.8	49574770.62	69961445.53	44209510.38	57672188.85	37221747.77	53811167.52	48076820.17	49722800.88	42430622.86	62205050.82	39638970.54	3684143.438	2122320.272	4102930.755	1936103.784	4430376.377	2636807.571	3719538.873	3155692.819	5052764.245	2941036.909	4349347.729	2391878.133	3869290.331	3028179.441	3789221.238	2814687.182	5183878.198	3369760.859	4951386.61	4398428.47	5071849.631	2219805.069	2414595.845	2725829.249	2438520.716	2801186.844	2647577.454	2820427.851	32230205.89	29704268.08	23981594.57	24880752.3	36368874.46	31436904.21	27712497.01	29042964.77
PEG-4	149739384.6	103341833.1	32991143.25	45890429.76	18294344.35	29126267.88	15639101.11	24286914.13	19252223.19	23991347.2	34871132.86	50526063.31	23958736.14	30252012.52	16376664.05	24131682.61	11269837.74	19555820.12	19198167.28	21038172.16	65455174.73	81909842.99	59835213.47	63890069.24	14651055.23	22140801.06	17672873.27	20863958.07	26925354.13	32943843.62	40616147.76	46698762.05	51214479.92	68443848.73	37817680.9	41933912.27	24237785.95	28744901.78	19769739.1	16925808.67	41487662.77	55095861.99	34587283.75	44807310.21	28943415.46	41971949.63	25012344.51	35969483.75	13657693.43	20832732.98	51559414.61	65007130.47	23337208.76	34696324.32	16947465.37	34172272.35	52163290.08	66696654.21	19483135.1	25098820.49	52392352.11	77750184.76	41680436.11	65962204.74	35586141.95	53885001.81	38200920.88	55457381.89	19512311.31	25157388.56	12523879.1	20071713.91	14707118.64	22622172.96	26227527.24	26005093.54	16583078.71	20873614.65	18454546.21	25754974.41	18445252.44	63201150.86	57210732.46	63573517.85	56796374.76	57758093.25	57517810.03	58278766.03	50971443.13	54078537.31	43878677.78	46265091.89	46650806.93	49733712.05	49383272.46	48931863.85
1-(2-Furyl)-1-butanone	1004227.748	2619369.127	522410.9554	1000872.538	17765020.34	1355235.334	13317443.2	32540494.61	374123.8062	1248477.42	417975.4354	221165.0449	11622867.25	17986419.35	671213.7916	400509.7637	315071.3876	749476.8675	41542374.57	83309631.17	29617701.94	53947453.71	637632.0797	1094208.714	721114.2026	989533.251	421154.509	876641.2641	572162.0096	458647.4851	20842581.41	39569612.38	796351.0784	637375.1591	725148.7766	251397.0056	665803.5433	395147.5791	638649.7184	1088128.48	915172.4445	1056554.397	24403427.04	48229442.69	16204929.82	13083341.64	4143207.383	581250.7197	733890.85	506442.0309	928378.7935	1136958.803	20963866.7	33670739.12	887028.292	862710.0397	981107.0434	199785.2292	13583002.27	564517.1756	867182.5089	782806.897	48680959.02	79770289.95	332610.4627	734176.9908	783521.0897	22906312.95	732492.9229	1248339.006	851208.8315	2769294.647	359745.8885	437175.6872	4161973.447	7371276.55	10475313.96	16850278.74	22118946.92	20514425.48	316945.317	278765.725	283197.7298	312373.4945	289204.4742	273064.993	284782.0328	281880.0613	6110989.589	6362811.095	5882970.07	5082128.182	5725242.651	5322047.356	5744270.002	6829327.185
2-(14,15-Epoxyeicosatrienoyl) glycerol	35594879.66	15748737.15	68741754.87	52103715.92	33354173.36	23747540.41	37394064.99	27951587.42	41265795.46	23822486.19	46306520.35	35986939.08	45736845.54	36278433.59	34289266.44	23051774.91	80918824.71	68039736.54	50315334.21	25423687.71	33598552.14	19478839.21	32124524.55	19478406.41	33673919.58	22776102.8	64458629.49	40686646.77	33311166.28	25663620.3	36480311.03	21116847.68	36886235.72	26733684.02	39292913.69	29761623.22	61703687.75	49067950.99	39938554.88	16340276.29	38093316.72	32536201.91	63816796.61	29163043.81	35714750.11	26659347.12	48339258.43	39849657.81	34290386.5	24787843.7	53603251.17	41082791.82	45432906.61	25841414.35	61054056.48	48947144.87	48132856.83	32865048.63	51572191.26	32215347.26	26816539.17	20382447.5	31558402.29	22708230.12	37227548.15	32392655.7	34316130.77	25753183.3	36747133.39	21474341.23	55537075.6	39070248.8	51306725.38	36324189.46	28167818.54	21085275.89	39063493.43	23385033.78	48055358.59	41645215.79	10804820.99	9033286.746	8976200.144	9735306.527	9287094.207	9924420.358	10322224.59	10636940.32	16383200.11	16062996.36	14513389.34	15020602.81	14228163.16	15275934.01	15526789.5	16854851.63
D-(+)-Glucose	26392330.78	3918133.494	17528346.1	15561632.93	60472590.69	26430624.01	6685194.144	3246787.125	31792429.08	10232396.46	42651440.4	15592166.18	52238824.23	23541529.96	16953506.16	15902309.87	25795458.87	16453175.79	21039185.26	11950742.35	19050860.76	8812640.024	39255324.42	24350390.01	20806608.95	8709895.129	19414274.79	8198542.8	18473614.6	15751637.12	30844719.97	19606442.41	39752546.24	26202996.98	17221858.23	19090960.38	33162285.01	20151257.41	49747863.28	8260497.334	29123126.43	20119832.63	29507555.82	15943591.29	28876374.3	19547173.67	43574417.07	26953411.96	21432297.72	15086995.02	35256777.06	17943809.8	33652223.41	14454247.05	34642304.13	23465741.24	49979900.12	23809779.42	26402992.54	10040673.81	36503016.38	11092380.47	28172658.63	16245817.36	45860436.96	25689169.16	63758500.06	37461834.35	24623005.51	9989797.475	36660647.05	19448847.42	57366077.03	44640965.03	78970317.54	58523416.05	41451514.59	21294972.65	39729211.21	27820562.45	63327.5488	59807.88403	62000.45868	66857.85406	74357.39654	87671.86271	105828.6519	134907.9232	29716561.05	33954083.76	44204011.29	44257385.19	41434951.12	23392022.88	26834227.37	39046783.83
NP-003459	31395088.95	13648441.61	20110512.13	13434068.75	40115279.35	29540160.06	14704387.78	11720193.17	8721967.955	5028218.7	9366999.51	7633974.864	9467719.227	6969476.112	8972844.049	6060796.832	8016504.4	6644999.875	30913846.83	19979027.05	13597004.25	9447884.166	16651517.94	11695036.15	5334480.841	3517176.96	3486165.351	2645550.626	7117953.791	4290310.238	14903045.81	9293233.237	5554018.707	3939256.247	7846204.517	6074555.694	3380958.483	3269850.161	30134885.4	12513529.18	7130688.163	6245769.536	24630107.7	16857662.22	36623810.19	30243146.59	42317945.55	32185791.48	9508130.396	7406446.331	15657858.02	12798747.4	11530936.69	8159413.355	10922102.58	9009294.417	9012728.246	6751616.351	28408506.55	18735377.18	5650777.518	4146294.659	7164612.472	5994024.661	9384760.068	7500323.344	72332763.29	55842322.84	5966055.545	3686782.777	4706712.383	3457278.746	14633671.1	10989246.25	18617758.91	13212150.85	4277854.829	2665818.088	7507538.805	8268098.511	999160.0926	1060499.3	1034408.578	871201.0582	1145938.379	653029.8876	723024.5443	992419.4192	12641428.38	14239105.1	15226953.64	13646870.17	14003979.1	11986729.25	14276059.67	13883210.31
1794967	4895278.043	3023985.094	4899462.396	4838711.667	6746710.753	4447635.17	56124294.4	39177469.51	7777738.482	4678009.905	4778925.796	3440949.794	41911369.86	28632343.83	3636074.675	2266387.88	3546124.615	3019644.652	35098847.96	23414248.91	30137999.8	18180889.89	7366436.454	4310023.752	7304116.658	3658217.423	7682523.778	4577710.151	10617463.44	7703118.306	30987562.99	15913414.42	2008697.584	1646867.875	3299678.741	2590761.805	4201313.879	3305059.045	5653628.173	2511927.908	4431248.784	3512016.364	36457075.56	18695121.93	4165391.831	2935730.652	3455357.365	2855961.447	3977893.829	3155061.195	7100060.663	5167978.67	24707216.77	17516784.53	4424294.005	3014217.719	4266198.617	2874784.71	3383480.548	2224850.576	3723769.837	2465590.513	66486145.66	42474100.35	10313647.18	7994940.194	37471569.57	28635133.03	2026855.436	1161612.53	4110769.993	2295777.509	5381682.238	3966218.636	15171366.47	9706266.96	25800813.96	13328270.08	67952552.14	67192053.08	860314.9714	917589.0886	802279.7461	790612.6498	792996.199	735763.2299	832132.566	835114.923	8391702.629	7714546.239	7684640.177	7738542.963	7502858.401	7759710.497	7721049.508	8549986.486
Benzyl butyl phthalate	4431194.404	1901846.763	3917106.25	2654720.744	1473001.823	1474890.034	6926217.419	4874759.901	2908947.97	1552600.572	2268912.632	1168775.607	3825726.929	2893410.886	1485497.773	731026.4262	1774011.083	1157831.425	5395958.653	3431885.263	4355798.091	2415416.365	70286022.67	44284849.45	2282524.473	1285299.742	2613228.712	1594168.35	29354198.49	21195455.49	11287027.35	5171785.469	3758520.223	2472296.458	3609938.057	2550165.514	39653114.87	29158289.6	14031067.35	5630973.145	1815943.316	1384722.968	6038489.403	3045028.584	3007866.881	1968133.493	2663660.948	2076450.967	3807776.042	3179622.971	3095152.056	2261276.355	1449328.663	724547.1933	6475841.598	4629610.519	1641385.414	997678.8173	2401226.88	1282093.163	11037585.44	6797304.723	2125812.366	1657665.568	3404992.231	2897305.631	7244066.368	4992380.725	1736411.126	991105.6504	1689980.46	904808.4001	3273305.717	2168159.172	2857870.307	1791155.367	2891194.351	1599130.139	25161010.3	19997653.6	79566.12472	80207.5542	95752.82258	112692.2204	136672.1276	215824.0743	221105.5154	303988.8028	2016423.094	2131620.445	1911048.691	2224777.534	2425811.62	1717507.873	1886714.848	2229366.538
THREO-SPHINGOSINE, (-)-	4794919.328	2659012.658	4331059.214	3611734.194	5057331.54	4094431.674	44633417.99	37899334.21	7381907.575	5947970.334	5426465.16	3298438.968	33315628.38	28292783.66	2441150.944	1852564.622	4165402.802	3578320.432	23006234.71	17114352.77	41491274.78	27385797.69	2831527.197	1662458.491	14383622.75	11606614.04	31144646.01	22516314.23	12484965.62	10071634.6	39784042.07	23128086.71	4758044.796	3633155.617	5186168.082	3407479.113	11560279.18	10060759.37	10006044.62	6839050.409	4966453.582	4054142.863	28400529.67	17820713.06	3876241.485	2603866.952	3477037.945	2671947.058	2423484.668	1669582.832	12448190.92	8624022.061	23075880.04	14692893.91	4071881.862	3018277.175	4424984.623	3527335.475	3239093.716	1979979.148	4756052.105	3338063.815	63257317.4	43255829.84	2060256.25	1636868.282	11210040.56	10138774.25	3415138.379	2127733.577	6475894.116	4810043.66	9015343.348	6630879.922	6405549.082	6086212.24	43511533.72	26768354.49	54425323.12	49676661.46	1188113.189	1136636.262	960318.8286	1118566.802	909799.1934	510245.2226	480314.6679	468978.3528	8691860.817	7108191.832	6932061.388	6954725.464	7135456.791	7339183.209	7906291.255	8233669.151
2-Propionyl-1,4,5,6-tetrahydropyridine	71477859.29	24815011.04	24678737.03	10765274.85	26480491.14	12163200.67	63205752.4	28444586.46	32323563.15	11636264.44	29904937.56	16942120.95	28390449.72	16812354.29	36752046	20635283.42	29168994.03	20006602.24	22567362.51	8219099.816	20599019.8	5560709.968	14106641.08	5449222.664	16331159.34	4906460.88	23492540.91	5326852.282	15737305.76	7460636.33	56232148.89	27165075.57	15214832.3	7694430.989	14845962.18	8989185.898	14151936.07	9996856.773	43783549.02	3143531.363	23934190.8	15208953.1	23172274.89	8927842.032	62357693.92	29365120.21	25869382.08	11832672.81	30626784.16	15122960.52	23097358.24	13024590.7	23969376.79	9502663.385	33054395.68	21818717.52	29925740.25	13787982.55	28078825.68	11975593.88	15289406.65	6690637.609	36934967.08	6733579.634	19553194.43	9949094.262	36370847.08	12024152	16362487.2	7117256.876	20148693.65	7622999.289	16645655.22	9407180.135	16884056.95	9362305.297	14294181.68	6305890.103	14314396.21	10249980.05	14454447.44	14737086.18	14946474.41	16757493.11	15662265.24	14736915.19	15911371.46	24482335.47	24666748.74	24291991.24	24844139.57	23241203.68	27071357.72	25260774.9	23144858.81	24762391.62
Cyclopamine	186285.6578	58538.04171	2409563.897	169634.0046	3629240.219	98068.93862	1575197.613	129523.6188	29714567.6	79583.70456	177400.869	159920.5983	101457.6449	65936.79991	84071.765	60159.23084	85667.40563	80896.26779	111622.6467	47585.62622	195205.0437	96144.04039	2661266.49	136729.5609	912646.6994	55161.31504	19485931.93	122038.4905	9120137.075	10508076.06	148910.6597	87309.29605	85703.32236	159404.1793	87393.77304	99960.78958	67435.70516	41303.9382	45363.2029	100281.8645	3342333.839	7488157.601	6453010.484	232862.152	636494.758	84025.83329	58474954.31	75541708.77	1814542.421	131870.2078	112645.6845	129583.7059	2189268.467	149118.2092	150290.8038	188830.903	129623.0279	121627.4618	91907.25883	119738.8869	13274095.4	458329.4084	673829.8107	242020.3221	14370574.51	20340919	49663268.3	77490179.59	63322.27828	54285.41228	99194.5195	119739.4615	87504.10597	102562.1738	114383.6737	108536.4006	66576.83099	62090.97489	1758704.131	2287921.362	82542.85254	57981.4095	46971.91954	31834.98989	32490.76112	37365.68385	21741.42273	24900.31523	4140260.823	4023494.497	3382610.044	3052596.942	2804060.176	2797465.017	3572734.416	4383924.715
Diethanolamine	50619763.7	23873598.61	58492137.95	55563027	61881688.13	44712604.83	36116621.53	24658588.16	60628786.8	39148333.17	61055661.41	43511074.21	43842472.67	43586026.27	57381810.59	40341341.48	54348644.72	47960464.91	53808162.66	33136048.66	36382497.79	22330656.15	37876657.08	23340046.93	39304853.21	23345985.33	35682176.96	25387869.24	38280406.55	27229365.07	36079884.62	16800055.48	33933792.16	27378598.01	35807582.16	26332294.02	39764730.43	30288728.73	37616543.05	15348253.2	57940435.37	45603593.65	50299993.96	36840974.91	58435296.48	40025412.04	63177575.93	48991096.48	69267662.12	43785972.99	41262580.97	39565098.02	59262349.79	43545763.57	58610107.71	48497500.13	47299681.22	40844213.3	40036116.64	33562941.16	29622097.17	14547234.29	40972520.58	25540538.63	10503462.03	24279759.04	35408219.48	33211612.72	36040799.63	26324026.77	22894198.54	21811767.73	36795718.13	27185965.08	30908913.51	26811049.7	37480288.05	22990474.65	36716137.5	30404599.1	22641190.22	19220336.79	18270172.61	19897972.59	16005692.42	17472305.17	10448137.79	15066458.49	48711421.43	47319112.52	46688984.78	43444170.79	45174631.15	50002474.51	51018014.86	44190387.09
Valproic acid	4794341.073	2875564.689	3716873.446	3592406.798	3208082.678	2466392.704	2638724.667	1962156.82	4921201.035	3044224.839	5196320.634	14347799.08	5114413.256	4263183.424	5085493.454	3888776.523	4566709.226	4238301.213	2965461.213	2492313.486	1313820.269	1144696.899	1695250.033	1260707.246	1782419.53	1058998.032	1618698.211	1243416.052	1616829.744	1352414.64	1970245.737	1747358.662	2316741.417	1704896.064	2683696.626	2083586.017	1675912.145	1526857.022	1891124.248	994723.5596	4526665.89	4275631.243	2999741.497	2118590.648	2946086.667	2316190.281	2817328.785	2462274.418	3964371.573	3062497.257	5130690.486	4368009.143	3286961.335	67355697.67	5769300.095	5171153.497	5322776.234	4323995.168	4462395.878	2672950.489	2671989.149	2170536.749	1597817.897	1507627.378	1406771.978	1682520.533	1690842.496	1496779.017	2580040.562	1571158.696	5326211.159	3425891.451	4449844.955	3604657.948	6126641.903	4693303.951	4767192.209	3201423.623	3355515.263	3008253.865	1521537.11	2045532.195	2165044.375	2113343.143	2470280.297	1936808.577	1967033.993	2245936.831	8090687.872	9925676.027	10663593.11	10315987.89	9347107.875	9337157.227	8605337.999	9664910.981
2,4,9a-Trimethoxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-ol	31904588.74	217609.1266	8409865.934	495868.0436	31440009.06	3636067.226	47146306.96	4293167.222	25159164.6	2966370.2	20618143.46	218268.3593	29001755.2	25420445.64	10252512.05	1852612.51	3682611.024	800640.8198	40296905.57	3251109.724	16266586.87	1622127.113	68418039.52	499265.8251	10311592.38	1136900.181	27242349.05	2088872.816	67888556.38	25331039.88	18170315.5	968472.2086	3388279.028	504677.0915	20866494.66	2425720.777	2411149.297	1480992.314	16691250.11	182738.5023	10340830.64	2685410.679	39549157.42	1197725.177	17378677.03	3079965.704	38327333.85	8850227.48	15885599.58	4323712.202	20836573.13	2636084.842	30292461.14	1848695.544	3290029.595	758352.6304	12341462.98	1413131.631	15203859.94	526341.2151	4554515.434	741461.6998	11300255.85	1725840.264	22053452.11	6849567.454	19261738.92	10907806.14	17759753.71	2600126.08	4759205.646	478678.9931	6996827.062	1358788.329	11859328.46	2194945.276	14512094.29	603160.1033	19066490.05	10016983.98	195792.1915	78663.20474	165787.7292	144315.093	112244.363	121611.035	115790.7927	143227.8508	13446075.19	11141475.22	9240432.872	8005936.295	7277108.714	6601081.432	9034085.848	17309070.64
(-)-Bremazocine	354058.2857	232798.0239	438777.8893	349648.921	521621.0346	447931.7704	794002.6436	601509.0076	6618334.324	2301263.943	652996.6402	299674.7411	677475.19	740041.4545	615173.4882	565278.1903	991820.5046	827996.8994	1627616.023	1117680.664	354106.327	247257.7386	458281.5613	373823.7605	1086697.278	442755.8338	1089385.677	886707.2575	1430445.303	1435428.433	365379.965	294916.7158	72570116.72	56326361.56	1090283.53	1223676.212	1885553.855	1233163.419	2666487.628	1512864.368	675469.5033	298208.7467	637800.4178	275024.264	787501.826	296923.0389	422429.4271	442894.9318	3884313.576	985909.9643	1106113.059	703565.1112	377240.6073	282424.1595	413139.5692	613591.2552	590088.7251	380188.3925	730141.0794	609220.3241	331781.1303	387218.9921	407802.9994	316029.1815	554102.4943	768894.1009	1086129.415	635393.0637	497842.1303	371857.9801	614848.0438	529154.0529	814387.9264	469886.4858	805848.4469	562999.2275	3149775.218	2784354.21	7101152.556	7122194.791	74888.53604	122388.0206	152543.4442	176824.0858	192197.3525	317710.9583	705848.5629	4666603.721	790137.1814	675965.5791	973098.6478	854241.7324	628496.1875	695103.2473	1720638.563	44880919.66
NP-020515	26985206.33	14577328.87	16918778.1	11409926.82	33475117.87	24431594.16	15431650.46	11837206.75	4896984.621	3378758.832	4931898.589	3371676.371	4975550.886	3515536.309	5052639.836	3231107.204	6297024.261	5169102.593	25713642.09	18173147.22	10948028.67	6575075.812	10395691.47	6253009.83	3485102.831	2342387.494	2048580.195	1220786.814	5956194.192	4485671.394	8914663.651	4725827.043	1791968.073	1436770.241	6132400.193	4021282.943	1582252.737	1726189.477	27306483.49	12586561.69	5846815.729	4589062.519	25344940.36	15004480.73	37081833.63	26453906.87	38412081.46	30353642.42	7615242.364	5821832.92	13652337.47	10131565.68	6217930.806	4346578.617	6252456.702	5003013.923	5753902.663	3839442.833	29982975.8	19692273.73	5350552.411	3406685.178	4407510.311	2633239.017	7089384.247	5959389.293	61904170.89	46021125.52	4347718.084	2573141.514	1400410.761	1225367.43	13167963.67	8380748.103	22342979.99	16036130	1794547.711	1174861.612	5711585.999	5030723.891	513060.315	479326.0705	340465.7195	470586.4497	445768.8518	230268.0026	349343.3611	267666.0125	12771158.46	12204523.16	12299289.2	12010169.04	11424724.53	12760850.69	12645168.1	12471939.36
Phthalic acid	19526103.68	7898599.794	8738364.822	17370521.25	10824811.36	1202560.297	7571898.434	274014.8346	13484712.19	215732.8067	28649336.01	24306254.33	17472945.67	13671685.45	6360623.026	10323923.84	21109527.89	123674.0318	8044202.442	21926324.14	13849295.78	9358689.992	59210135.88	37167780.68	5609022.834	281525.2925	46045143.44	28687011.02	28439475.27	21304930.99	13096691.23	17219787.28	16170599.58	33265530.73	37508377.47	81487860.5	11347808.55	25197530.05	10568729.27	24716031.22	8295507.366	1052390.632	1158864.385	602442.6638	1056715.709	687491.6101	4128302.628	1263348.002	13242725.46	8875621.981	21144477.76	25139546.71	8114802.204	971498.887	21388771.57	975193.3545	5495431.817	1326337.07	6269442.688	613617.9148	22609574.56	17390783.7	684484.237	526505.6794	31148445.16	25422220.1	23352470.49	18396792.1	8109717.077	167062.4518	20809731.77	18283065.55	11826794.83	13850768.65	6237876.821	12916116.86	17222845.88	10813039.02	9286843.957	30055599.02	907343.8268	1031688.192	36361.1068	4383067.051	1231312.021	4593559.704	315150.4903	373480.8808	4016607.92	3908263.037	3642882.582	4125538.899	4629764.992	3163797.789	4148579.441	3969942.058
5-methyldeoxycytidine	25318777.86	7048160.371	23139790.56	14380262.88	21145844.84	13283802.68	17481170.18	9483701.37	22439489.26	10056357.44	23758432.02	14521950.79	18380922.22	10373587.55	23725606.49	15101767.95	26642419.35	17741675.53	25316407.47	11579643.05	23858157.19	8941870.014	29128748.44	13229855.72	23886679.89	9360475.175	34203040	14142714.04	15657565.53	8786988.036	31728098.84	10240433.46	30266680.52	17708024.16	20976366.89	12608620.87	25617363.96	16896295.91	41794333.67	9167402.266	35852563.1	23040488.88	28669253.22	15181537.26	27849886.87	15339900.34	25596092.61	15238925.22	32537916.06	18110418.85	33885090.4	20421752.17	21301792.57	9334873.98	28053296.62	17736969.9	39218850.43	17191977.01	30465869.44	13444482.29	42611655.17	18687435.8	28735928.8	12916182.68	45208220.81	34501810.48	35596918.2	19684246.87	17788433.46	8495515.728	63252680.73	25567227.45	27922389.1	17195015.02	47593692.19	26258331.3	24484552.54	12579411.87	25192758.7	18190298.47	160758.7783	93343.36008	141039.4344	223038.7428	150585.3984	220783.5735	149063.5042	209174.0765	14148544.3	15497114.96	17187879.47	14562090.25	14555841.86	14125701	15757249.27	15224016.17
(1R,4aS,7S,7aR)-1-Hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde	35342457.2	18186431.95	25993003.26	17798687.23	42196593.23	30905904.5	21459494.88	16772861.01	19795324.47	11946060.94	18756711.06	14495468.31	17125856.88	14315397.18	18900465.31	12301291.39	19253779.5	14816179.15	30935952.8	21860083.31	14744089.66	10341015.61	18220512.46	12050545.01	8672006.647	5194838.708	7512596.582	4898060.634	11553247.26	8177067.866	13980438.66	8688950.149	12217460.07	8687347.598	9358991.284	7941996.252	7535269.786	6466650.232	26656342.04	11255907.12	17611301.5	15105262	32767019.33	20992953.4	38030493.74	31875859.5	50450417.89	41773613.67	17662305.34	14416063.72	22915010.26	16989121.98	17575113.75	11920817.35	21555329.67	16814305.61	19708248.35	11459914.22	30851828.27	23523029.84	7885810.745	5326966.458	8783334.831	6848834.38	11947355.92	10065981.62	60432559.37	45969300.13	10167800.42	8918552.355	6853101.579	5618702.581	16270644.61	12563735.95	23646654.23	16777014.86	6551719.83	4454675.352	9870676.805	9216421.581	1899376.149	743371.7943	795320.836	755846.0979	735613.6177	760459.6306	824815.4405	917241.2109	17794752.26	21564666.71	20439003.86	19658752.55	19027599.19	17785877.29	19020334.02	20946927.69
NP-005397	10391061.18	5931503.65	6562665.914	4668506.405	10589755.45	7121951.819	65364833.84	13545588.04	4392240.942	2807609.465	4158245.713	2169701.469	3936599.19	6426637.624	3203600.981	2297548.715	2826099.699	2572080.966	12794750.43	9376098.56	9418501.3	6507291.503	5685895.494	3536931.49	2577277.177	1776848.12	2320843.096	1283661.652	4085419.034	3049389.873	6565743.691	6253970.37	3959447.393	2054544.995	4030071.666	2745400.683	1438830.835	1208309.332	9475972.266	4881930.556	3752040.87	3019949.859	13720989.29	9302619.671	12977602.51	8981230.348	14616554.87	10954367.64	4556869.123	3207356.855	6051084.297	4848791.373	9037125.923	6693706.749	3714860.108	2776270.848	3166462.989	2223859.815	9552961.014	7005210.563	2577458.284	1637279.471	20946450	13370600.47	3143295.025	2559857.658	19572443.73	15742151.22	2592348.921	1767374.528	1561910.06	1177485.263	5138498.894	3209252.801	7915508.995	6006852.116	4899834.328	3016155.887	4864755.756	5501632.712	380644.2984	290185.5214	306152.4426	361517.5529	363055.6235	385407.1068	466136.4272	516548.0584	6247626.637	6173000.86	6548117.41	6262046.575	5902295.99	5825888.613	6003029.18	6817226.81
2595	7742443.931	3585431.345	9141774.831	5799027.027	5408657.026	3824553.737	5196209.859	3525312.432	5919383.942	3626623.9	5585085.794	4209613.002	10128884.22	7172192.852	4541838.588	3263630.381	6199834.612	5261401.009	20776004.61	13036809.16	9727978.936	5916627.361	12056246.25	8010406.003	8084958.996	5317454.493	7562670.625	4865176.034	26433060.12	20321684.41	5466760.043	3352534.451	7697872.416	4828194.3	13453258.39	10915559.47	7366502.844	5942462.767	10461504.73	4712631.316	5068186.083	4064151.899	5365878.047	3785093.948	4718530.177	3611174.331	4781119.246	3633996.608	3569820.986	2510845.053	12996732.88	9270615.144	4278212.114	3826200.452	5115665.749	3618410.13	6965339.064	4639264.965	4105161.302	2451575.18	20087190.04	13639006.51	15001626.53	10904326.63	58099461.24	50418084.28	35989858.01	27642362.24	3846437.969	2288542.226	5678947.534	3629512.274	7599167.732	5820904.246	9235388.942	6641947.283	15589508.48	8937855.622	26410676.66	21654100.14	505391.6534	420057.2861	529595.1595	450047.2768	739876.7693	429314.1729	507337.0288	537167.204	5540954.293	5067108.451	5383419.334	5938594.842	5575318.146	4927368.757	5163191.751	5742071.198
Piperine	4045664.812	1061693.02	2704841.165	1981386.094	4369395.29	1392218.548	1869007.973	535469.6747	892443.5786	590580.9607	2042017.349	1393314.48	2226980.43	1257022.741	1174720.497	516674.0751	2138461.888	1374201.15	3975918.569	1500550.498	1703946.888	1230322.123	1926851.219	1408383.051	469304.1868	276504.3821	428166.303	321171.8387	1279301.627	395012.6379	2415593.855	1086113.003	1359369.097	1201072.032	63051768.71	45427327.05	821277.3327	518163.9327	3478007.933	236134.918	464117.3353	569244.2568	1861923.641	574387.5717	4796846.332	3462921.832	5966469.284	4097679.213	901192.13	570513.2001	4250206.718	2081836.565	1374947.426	843866.8661	761130.6173	1366072.842	2988690.949	1392815.628	3806462.642	2027047.934	888690.8767	680179.0364	597107.3593	672771.4495	1533296.81	804340.9143	2464537.98	6226809.518	1267827.615	353881.3195	1538621.609	638575.7682	2647018.766	1176231.419	2817715.039	2158109.754	868724.8488	682317.5627	1460439.988	1026563.172	1224409.324	1229107.918	907919.6102	906033.3121	883218.6947	383992.1714	401739.1334	423273.3721	1788294.829	2154463.855	775664.2099	975479.541	844029.5469	1585419.73	2101833.987	1482142.442
ADB-PINACA	13265616.9	9902691.707	3835717.996	3208502.177	15908442.72	25431445.04	21468181.09	33957082.07	24356838.23	21177968.18	22381927.52	19480987.52	27115292.3	37143725.59	12078240.66	8599233.546	4375664.128	5722410.881	8881596.829	11159142.13	4733185.056	6497016.132	40564430.94	37293927.94	7243364.326	7063120.579	35264397.02	17578495.06	60118600.95	67685471.05	9178295.929	13919875.63	3735170.813	3649047.509	16246959.42	16668152.53	5175558.983	4375750.404	13658399.42	7015237.644	6558763.925	11183057.83	17857108.75	14777017.29	7823277.694	10593852.53	35202023.53	58119400.49	9437147.472	13966268.26	19031264.37	19786958.59	12650321.96	15389264.21	4407456.796	3085245.434	10222713.61	12207544.75	12742051.45	20928662	3505484.896	1955235.609	3750216.404	6071009.01	13136504.69	7051884.583	9749164.627	13768987.79	29050728.26	24501344.56	5751890.411	3958776.595	8142233.787	13838842.5	13648920.15	9220154.668	17924323.66	19943101.04	14889471.37	18831400.24	46461.61043	97221.25372	41816.21385	87431.75892	78606.47633	49581.5932	107497.9906	55538.72408	11553584.39	13330276.19	11113373.74	12850965.03	11595183.14	12013702.93	14762303	10018511.94
(2E,4Z)-N-Isobutyl-2,4-octadecadienamide	5296427.168	2344965.058	11959103.05	8941029.44	28078169.95	19549310.98	3375512.737	2634009.172	3688119.772	1896584.275	2549418.563	1205586.146	28261822.54	21435335.91	1675556.598	1260048.647	2605817.8	1927705.064	34562105.37	23401459.84	17532175.53	9579217.108	19373454.07	12660740.72	26613609.96	16477894.76	9345432.596	5714670.874	45377005.69	34775922.63	6363039.728	3301918.067	18684604.61	13825062.03	20175832.33	15145740.33	14520415.38	11649019.94	17877585.14	7860998.395	2229731.694	1400024.011	4396821.869	2478771.019	3883168.848	2730638.477	2731517.341	2180280.938	4273739.478	3191291.743	16128652.65	12574936.93	4787749.554	2817590.488	734619.2767	811889.7644	8097671.065	5274208.074	1464947.247	955559.1501	19327350.65	13979762.31	5545744.957	4507986.491	48867150.9	50813645.14	36918808.48	29395765.06	2410682.285	1203433.495	25792663.16	16413264.3	6720116.29	4423130.627	8325286.966	6697811.105	18585819.12	11373371.82	43384874.91	28146221.97	157152.2116	122892.5866	119882.2732	139318.7279	166298.9731	193135.8965	256319.4411	313784.1695	9379292.502	8979964.689	8702510.764	9321487.407	10430784.91	7284895.447	8949572.305	10134680.7
Pulegone	12256483.58	6370887.968	12326409.76	8993707.094	13925102.97	8822919.153	14478887.88	11669448.61	10017648.45	5719892.331	9964545.751	6895585.529	19894864.15	13950333.03	8503371.678	6197972.916	9584562.263	9213311.665	32859321.41	22796891.96	16754723.51	9369920.156	14020389.54	9297013.818	12374521.77	8472820.683	10005138.29	5727899.577	33235269.96	23908910.96	11805742.26	6041551.452	8962519.642	7062540.467	18775935.96	13218010.04	11464024.82	7239110.29	16166711.24	7290522.367	8952122.767	7391291.7	17494828.67	8195299.534	12990310.3	9228730.843	13654111.48	11890483.29	7719374.737	5642467.693	18367011.21	13138503.41	10598386.28	8937446.967	9680100.552	7290896.693	10325689.76	6910594.599	10831599.17	6846339.197	19304047.35	12898754.19	13721041.48	13940212.28	56518109.24	45205863.23	40472696.92	29897786.74	4855206.292	3006725.584	8247141.736	7093128.91	11269313.2	6387166.931	14075263.57	10101654.84	20917945.75	12534057.38	39215921.94	30717576.48	632525.7173	886292.1932	720205.6265	811671.2159	1150156.452	824547.8547	1038904.4	956332.4359	9168934.807	8755665.222	9776584.546	8391426.125	8907057.911	7624810.808	9423635.58	9712627.347
11-Nitro-1-undecene	6524223.032	3005311.435	6917733.159	4715784.223	3882293.014	2807283.056	13030495.16	9345329.053	3817163.104	2412577.735	3073397.35	2248965.298	9348265.286	7313693.644	4202719.845	3239539.753	2656789.988	2107414.628	19522644.5	12630500.66	11072244.29	8050719.748	9013701.693	6416902.859	7603357.493	5849380.961	8372172.08	5354996.978	35683489.34	25451235.25	9184325.979	5512636.212	12391553.57	6206733.978	12939064.67	9110115.534	11779466.15	8524113.53	9099836.422	4178424.726	4794661.899	3804698.085	7267343.649	4969064.221	1608777.844	1442458.396	1543334.734	1246492.897	2229266.579	1724004.821	10346892.93	7822732.856	6338057.61	4307703.666	2186921.718	1825061.645	6419996.072	4962629.871	1559773.498	1232611.595	15680267.72	11132337.87	21853798.2	13361335.7	56616813.51	45981858.79	32515223.79	24430150.64	3010265.632	1671676.584	19216916.45	12397932.14	7296187.347	5674972.098	9200920.154	6809507.811	14830784.96	9240026.298	32188345.58	28264764.92	212845.7426	300918.106	366475.0003	358962.8364	408403.9676	347006.3297	547082.1876	636399.1201	4113439.876	4003837.347	4052579.822	3772829.033	3890978.596	4362548.299	4099963.933	3893185.308
NP-008952	35428577.39	16784957.07	21377197.69	16616138.08	35284553.14	25361371.6	17897796.64	13318948.45	16780974.5	10597247.82	16485237.95	13131424.69	16868010.97	12140847.93	14800802.39	10584608.73	15160153.67	11722638.27	27684507.63	21411140.96	12878697.24	7478636.621	15548678.32	10344152.13	6524094.632	4465236.978	6218313.397	3802516.433	8738882.193	6211903.447	12504307.22	7590751.128	9053221.469	7304402.816	7673375.02	6401761.182	5333772.06	4684334.837	24766910.9	10475783.59	14709811.17	11578180.83	28405799.01	17790211.28	35006155.17	25503448.69	42060097.33	33434848.35	16215860.41	12620078.17	19029477.32	16994962.01	14555268.91	10413945.42	17666577.01	13872457.54	16731661.33	11311838.88	32128487.52	20142378.5	7389446.429	5014265.688	7781070.767	6168856.86	9224417.161	8170974.268	55890222.98	41383647.02	9030533.008	4522606.46	5609484.08	3654419.754	14793616.92	10175427.8	19487675.96	13735790.12	5599237.694	3335942.828	8771294.366	7906558.418	1127573.927	2452049.462	2317480.847	1348408.108	1445054.573	1135578.812	1414625.627	1529524.622	17055091.84	17628003.48	17472326.7	16750824.66	18155050	16230939.91	16724365.93	18141141.59
Pinolenic acid ethyl ester	1245612.415	920556.0707	1078924.037	1581615.622	2838746.349	2399447.663	31105576.2	27638801.19	4876947.749	5244426.664	2287339.61	1195436.204	27158727.03	22751250.76	1031793.67	1047713.145	1569611.222	1465839.563	11841210.51	11092889.14	32488229.6	22341940.67	1403810.445	693631.6876	12591354.1	10278714.23	25597930.07	19365314.94	11741650.18	9698569.904	24673634.13	15237686.87	1359010.666	1086272.046	4339510.634	2686014.965	9020734.746	7784831.758	7468360.695	5600507.667	1259704.011	775744.42	14758257.72	10142243.35	980972.6983	726185.8353	835410.8708	1056203.142	602041.753	651296.6376	8347425.352	6207069.716	13097123.56	10566433.82	1357216.633	941758.89	1104741.108	1501685.111	1132233.079	663204.9506	3238024.593	2316703.149	54367671.05	35617318.18	2596597.682	1221901.093	9724367.021	8932134.763	1930864.439	1613226.959	4554463.411	3492006.26	6507249.285	5396063.202	4729227.866	4536771.319	32275074.91	20227600.11	44746759.16	43880406.66	229059.921	213883.8895	231696.2219	255412.1346	277423.5651	291902.523	348027.0545	370182.8334	6407983.012	4382662.08	3541487.024	4125705.772	4562738.085	4841104.634	5661974.064	5065272.638
Leukotriene B4 Ethanolamide	649307.8453	1643473.021	688812.6246	656137.7223	517459.1789	909588.7533	887276.1649	633907.025	528186.7049	487516.2109	1797062.706	1613837.174	1636565.034	2039627.251	622564.2996	729441.4713	589135.3108	546036.1771	708011.7318	769722.0619	640713.1216	444341.0834	739124.7757	408729.2364	1501320.452	424222.5202	1075754.838	409647.5275	1091789.734	1345259.598	564093.1926	451461.6473	57807796.56	47553610.6	1085278.774	807891.3369	474164.7563	1840404.6	613302.7097	496743.7247	548298.1709	1343691.967	554955.8244	680087.0342	536111.5254	403212.5548	779609.9103	449714.122	383848.839	384224.5861	3173670.918	2015896.449	1219590.954	872945.4209	2578282.423	481297.9719	2264339.752	1718084.545	922878.3074	422983.6054	655688.9083	667024.526	910716.6952	776103.171	1608124.514	1511528.085	824794.4333	640453.854	1056628.063	943945.4129	508897.9035	410621.3433	530266.8299	418880.321	649409.5911	504523.6756	1261038.545	1491353.27	825040.667	1297721.076	721354.8445	562976.3468	392949.4181	370530.9322	409406.9995	428491.2014	387606.7651	372100.7145	603304.4295	971445.3574	690875.8503	748645.2678	804579.386	683796.58	473149.2917	504324.0644
N,N-Dimethylaniline	49026931.59	2958025.04	16776037.94	6434546.182	16125121.66	7199015.791	58329858.42	7443813.853	19908579.11	4915243.764	15875990.62	7078521.16	13590476.21	6843974.534	18263904.07	7034989.161	13985813.71	8715515.526	14935600.68	4051649.896	17825591.07	3753371.588	15153323.19	4784904.315	11716325.13	5810757.402	22677363.47	4785282.735	14383611.39	7038161.64	53181200.22	5189502.314	14881029.74	7022596.431	12983328.81	7367610.801	15274563.92	9488111.893	43408457.36	2658629.194	15618211.09	9012562.312	14471183.34	4483935.019	55456454.67	7869903.394	21235512.93	8142555.956	19051341.69	8227029.103	13812652.23	6779965.227	18100675.27	6852484.479	16703704.23	8936071.766	24309080.6	5419545.465	20824293.84	4332202.783	14113227.23	5798440.581	34007765.59	6106506.513	21970530.5	8768561.951	34401361.2	10442255.33	16293270.33	4299225.453	17921484.26	5444526.475	13781159.1	8627243.955	16475217.23	7236693.844	13923783.42	4675919.125	13168706.01	9507627.138	14084427.37	16454198.24	14983721.82	18500155.74	17187758.49	14921351.99	15076599.77	23751888.76	14067749.44	12018974.9	13396803.3	12310391.51	10492945.37	17091660.99	13299304.63	11760773.01
8-Hydroxy-5,6-octadienoic acid	29785066.55	16557502.43	18912466.07	14201327.79	33970628.39	28761139.8	16154947.39	12152277.03	13295724.67	8177918.847	11376223.68	8524447.085	10669054.1	8663947.028	11065415.38	7720660.196	11659885.58	10154234.22	27586532.41	18580100.08	10323910.7	5823605.764	11004568.26	7727101.295	4225086.877	2383340.18	3187369.169	2077335.573	5629539.179	5848538.806	7900816.425	4541368.536	3543133.125	2412841.804	5581466.962	3733916.636	2929914.65	2306187.974	20664890.7	14650798.45	11944652.82	9848923.666	25452948.52	13745730.22	33327970.85	25733342.31	39704830.06	30501713.68	14081893.4	11603458.98	18105939.73	15053634.21	11747001.12	8145700.379	12822785.97	9947905.26	13046868.06	8457195.586	28903072.16	19456374.91	5130164.549	3746847.785	3699695.718	2709039.152	6563531.653	4805355.044	52263031.09	35989910.18	5351464.753	2919633.12	2663591.91	1823288.837	11665780.42	8188042.593	16097463.97	11556985.11	2842434.743	1876238.682	6508463.097	5422153.48	781692.7883	711439.1812	838304.2554	703295.5176	754091.6974	548560.939	654476.7163	607505.1898	15109826.96	14615801.46	14238174.87	13505862.28	13326996.93	13861529.33	16316828.05	14325677.57
Melamine	138148.7575	70558.69931	219117.5787	207837.5357	114867.589	83522.73736	97674.82047	57318.97591	60398623.97	48352145.27	138006.4771	267831.6393	105083.0574	70888.74092	107214.5247	71375.25627	116747.343	89375.80639	102459.2129	69221.76832	111563.2379	91475.83229	283706.0215	250209.8234	124155.3419	78505.05014	116445.0754	71021.30898	99552.57239	122490.6662	109052.7973	56688.55311	107380.2856	174880.322	91659.10146	168583.4474	106887.5846	83546.74661	1659144.301	1069532.238	131783.5452	92186.34675	117536.8388	75141.52339	122401.3856	75239.95912	118699.4562	106623.6656	102531.5537	83644.41048	109745.1656	78664.93216	87574.91247	62424.5247	108585.8596	89932.23375	105666.03	66498.14167	105397.3124	189915.0429	120638.5789	70404.67828	138464.3663	124691.6425	177440.1771	103651.0574	139637.5767	88468.17912	110446.7281	110497.087	103877.024	83428.73604	104736.901	66986.00362	95876.76731	70521.4484	105999.8512	113364.9398	112016.9533	104565.1983	50113.60508	45655.61812	42588.01797	42536.41987	41274.79798	41865.15935	42524.89191	44404.3113	2107895.382	1855254.646	1771965.903	1847995.646	1744209.472	1838256.412	1954664.124	2070257.039
L-Kynurenine	12044366.17	2333119.19	8605610.397	3610109.748	16604855.52	7817067.696	10837393.2	8238590.245	18258143.46	6941906.221	7116923.797	2661447.785	8080220.073	4988385.555	8175639.279	3151088.477	8514590.031	4243754.583	14818583.74	4820879.642	14742575.76	4671412.144	28345510.37	10232800.49	19692131.77	5760947.793	17377845.09	5036548.086	13016418.05	6031984.533	6605265.439	2401939.449	7102915.373	3565235.124	8560496.167	4381672.739	12067746.12	5762273.584	8936254.149	1664304.873	14185419.92	8644833.482	13222734.95	5346895.168	30088506.9	8688755.914	20336299.06	10387055.2	33353059.21	16308075.52	11644114.3	4925105.026	5187493.348	2745615.176	6921599.505	3839068.767	18993374.8	7903009.405	20139532.99	6313655.838	14300366.32	5157624.202	45731937.54	16667654.76	21366600.71	10778426.63	34408778.33	18260958.12	29756568.23	11207729.16	11653732.91	3984889.217	12739760.45	6889992.407	17507472.12	9234585.852	26974372.91	9899573.003	23666528.59	15779487.4	153459.8758	138919.2034	141883.2506	138475.0478	145910.9724	144122.5003	175095.5255	162502.4435	10747093.95	9859796.905	10158386.62	9443825.646	10691482.88	6928300.079	11999235	10855480.56
Atagabalin	3274969.234	1770782.91	2655874.034	1682657.652	2255882.257	1412966.213	53395693	37777267.04	2518918.727	1572463.672	2416743.011	1655686.769	16554828.52	12360140.21	2150319.345	1637132.765	2143856.003	1614033.033	28853864.7	21695406.66	31312072.38	18464277.87	1370965.587	836112.9322	2820313.371	1407196.71	2063783.018	1305649.338	3262028.818	2112382.773	24606557.2	16910680.36	2407874.179	1022977.274	1226239.803	1087676.774	1766620.753	1667575.016	2262879.515	1603757.945	2198171.269	1558900.757	27971911.43	17205303.53	1819919.182	1299070.849	1200889.114	1155838.346	2047245.091	1597245.436	3300279.818	2080044.617	26071298.31	16970655.94	2166473.923	1598572.88	2539982.52	1792207.18	1430149.314	851689.8604	1214747.112	781616.7877	49651809.82	34695632.92	2787215.936	2727232.602	5112786.922	5269993.673	1486647.671	1075114.05	3364984.063	2028397.566	2142073.23	1427174.596	4859355.829	2534341.207	14628707.97	9196677.199	24841889.35	19385240.41	109160.1274	190159.5041	243497.8929	217666.6549	333665.8619	249149.777	260564.8551	362675.0867	6966960.991	7562966.071	6855097.463	6333291.676	9490899.851	10400003.61	6148814.028	5946702.589
Bisphenol A diglycidyl ether	3793515.693	1507353.371	16418495.1	11187707.22	1331759.781	2617159.609	2848413.995	3872309.347	1755670.537	1030686.56	1718167.674	998573.4511	1102823.373	814708.1814	2510411.208	1961375.168	10746055.85	8314799.566	13604118.59	8887450.987	1124694.298	1143261.447	29912213.34	23405829.1	539187.1356	274899.2296	531248.4164	497481.5133	9048022.682	6238013.215	4856354.811	3255127.066	2284977.492	1313574.807	955269.4905	440375.882	10682366.8	10052269.63	5352880.808	3220693.307	921660.2956	876373.0402	8611727.994	5979724.389	3089838.55	2186339.392	4510623.657	3527269.183	2464763.622	1256557.802	5120413.896	3745389.777	18168065.48	12674064.46	48824502.58	33800965.8	10970624.74	6406796.264	2186259.804	1925438.015	5746751.783	4440848.119	5733889.453	3636494.439	1564147.172	550496.0618	1651407.063	2684234.625	47680159.42	23995277.51	5492235.648	3904762.332	4967645.705	2761300.884	2913064.509	1354132.496	2320153.759	1279955.403	8413950.337	7106956.348	97802.08523	105991.558	108496.9626	165292.8778	334711.7417	232888.3312	192892.9705	218709.379	6530966.764	5591841.8	5500274.029	5436779.67	6185810.374	6005684.632	4148821.418	7628236.923
(+)-Allopumiliotoxin 267A	665178.6031	1314980.466	1086299.651	1247478.403	2720604.813	1664491.476	38449847.17	27540391.48	2756598.615	1631909.663	1039155.858	880384.201	29586285.36	21326450.45	474775.7623	336728.8301	624414.817	579004.6092	22079027.48	14973029.29	21196854.12	12430846.41	5710792.279	3154455.621	4523635.836	2523889.065	6006480.027	3726351.909	7974488.977	5920857.622	21885062.03	11011092.55	581598.0265	479608.2713	2222090.869	1790952.553	2494559.953	1729161.85	3585707.417	1602720.837	562497.9556	495640.4114	24313259.06	11364277.51	611426.8839	418819.8801	551346.1661	490052.9952	415617.03	366294.1455	2732924.172	2210464.916	12816231.66	9770199.282	705532.2312	500325.7304	806817.1992	577112.3085	530240.2548	445741.9375	3019309.488	1863179.663	47867821.1	30824225.67	10204988.49	7423825.444	26111596.36	21317864.18	822318.8979	460468.7908	2244335.318	1267594.601	3132952.02	2126357.981	11264219.68	7741761.662	17966209.05	9953417.084	46926895.66	50333701.96	149361.6511	140509.3917	153236.8724	169078.6781	181422.0969	181945.2436	229651.6952	233279.3145	4525226.94	4128354.401	4239953.525	4450519.839	3579864.446	4449686.23	4031091.715	4719542.477
2,3-Dinor-8-epi-prostaglandin F2a	5813703.89	2302640.076	3991974.324	2564467.466	4493882.639	2754793.448	7798090.036	6378522.911	15456559.86	7830585.86	15640133.28	10562946.01	5824134.182	6047813.606	7913704.485	5627582.737	5441737.473	4640121.501	5431471.171	3960872.893	3872322.576	2588464.568	2810919.751	1587964.102	2882781.679	1762609.491	26397520.95	15184924.01	3184288.281	3068856.896	7039047.207	3476053.786	46780282.71	39106791.78	14163604.58	10422091.07	2811579.775	2282528.313	12513681.69	4915838.098	3585861.471	2790635.41	6627713.624	3716728.541	11410388.77	5467073.668	7128443.815	5694955.473	11923913.17	9513558.19	5690626.342	11192261.49	7773932.689	4884527.65	4690054.667	3678320.983	4554453.672	3041728.244	11592522.78	7391763.637	1427327.256	1134402.972	5382133.569	3186964.469	9415425.09	8301001.799	6029915.996	4476818.051	20717805.64	10708771.44	4175742.61	3296134.391	18373560.34	15748402.95	6209828.726	4976740.47	2692953.775	2022071.294	8850460.141	6402030.281	382950.8057	475991.5675	489709.3621	487646.5674	487418.6573	566306.9572	693699.3361	785263.5791	3713674.887	4380356.624	5054861.303	4679023.412	4242499.578	4386262.872	4566750.306	3599974.564
N-[(5E)-5-Heptenoyl]glycine	17954574.99	6680146.182	29041455.13	17643394.98	20839073.7	13622569.94	21176697.31	14447437.69	15248769.19	7798325.228	13247501.03	7006324.576	7886444.102	6866780.285	6858257.474	4618256.369	14036709.85	10083877.65	14637291.44	11236927.69	11176196.18	5965403.502	6847202.865	4750689.936	6972943.076	3967897.937	4935462.178	2370501.022	4167259.908	2829492.225	5407316.082	2789718.269	8289557.334	3925998.867	2360736.713	1926480.638	4064379.493	3231088.71	1983273.532	806088.8049	37536607.3	36461976.4	35962439.98	33756458.73	30679875.94	22263729.25	26285996.61	18103046.23	13104512.38	9123131.839	13720565.34	8779955.249	29484269.99	19613574.36	10396034.58	6861689.215	9144210.727	5234569.026	10711886.02	6215647.63	3976070.594	2212039.797	10400078.44	4480873.708	8292672.978	8316201.681	7037480.57	6149704.152	3166892.128	2194602.319	2840203.72	1806992.292	2779665.49	1999075.542	8116656.429	4926788.41	1810751.745	1124722.354	5767681.976	5028959.731	819382.5912	67154.28382	67667.54909	1001850.556	818436.5147	61435.74417	60992.12413	873841.4612	42138196.15	35387506.5	48907718.08	44235490.8	30196867.47	42829291.62	39453495.99	44229865.76
2-Amino-4-[(3-aminopropyl)amino]butanoic acid	36660375.26	40893275.1	26846709.54	24939297.75	43482632.02	38200143.95	33686961.26	26985377.71	32814274.59	37107427.81	33058556.32	34980094.55	32149916.28	37674681.43	35415437.44	35706116.35	28602619.28	34665879.64	30041731.02	31165231.32	35255961.54	46712479.68	36963637.7	38382583.45	32786756.8	26557279.98	31608543.66	37755164.45	33030600.92	25390772.14	38512286.7	24131448.08	31978116.04	23227142.81	43917213.65	32660660.58	30371020.26	36920433.53	35500936.19	46151953.26	37162435.86	40010594.61	34204172.11	22702178.3	33865989.98	34547377.64	31514638.2	29859688.44	37275919.43	38118023.44	49336253.46	43024835.58	27473402.84	26396393.34	34100163.65	34319057.56	36363629.96	39005365.01	43273211.04	49904087.1	36557418.13	37332254.67	36083711.49	40804235.27	29475431.74	32578009.35	31190982.64	32086903.81	28782331.24	30502948.76	40580919.62	26614828.55	33779566.53	33431306.45	28492898.39	30170008.91	39600722.7	39739886.64	33018139.18	48550811.58	1257170.725	3832510.424	2689700.565	3030717.062	2412344.139	2802453.435	2747787.09	2808444.942	32312366.67	32526103.08	37411242.05	34484319.5	23349284.48	33160767.57	32223242.26	36041153.97
Triethanolamine	9212063.264	4598966.807	5742168.262	4078795.526	922759.5961	727131.5386	2836377.025	2026581.907	3519747.732	2386646.969	1664728.595	1286688.419	2223118.289	2105471.999	955924.4436	786065.3612	882035.1042	700222.2711	7032460.513	4022586.137	8772320.216	4015641.132	7014423.756	5217559.139	2194632.315	1722773.73	1254871.262	1145613.356	4795223.073	3254302.015	1234784.994	834083.7439	3520487.994	2713021.011	3684756.092	3315423.209	4405038.831	3340515.68	29779783.46	14770715.46	4724354.68	6418556.04	2425802.632	1718888.785	3325622.878	2328212.775	2129168.217	1925347.106	926899.6222	777492.799	2529556.952	2019122.5	835193.4509	701211.3524	1251591.467	997531.3982	1535364.568	1075531.488	1027357.852	1250536.102	4919640.365	2891004.458	2915595.36	2335965.115	50660203.05	29708070.26	11960694.47	9421230.223	778326.3686	577201.7457	9880500.094	8019225.182	1146937.999	1183659.182	4132147.904	3342490.304	2332939.988	1815911.494	3225871.72	2637300.12	283874.9506	271609.5322	269153.3823	193157.7699	185342.1337	143777.9586	132672.9037	149682.1543	3840161.559	3440993.682	3507586.872	3473788.991	3357589.699	3335463.873	4010393.596	3516007.618
(2E,4Z)-Heptadienal	21610575.71	9874809.723	18289641.89	10925130.91	26237501.9	17702696.04	15904978.97	17666404.17	13909227.97	8153332.943	11094326.14	11966867.67	16812734.55	11817663.74	11424897.65	8524968.826	14326180.98	10053559.54	32917411.93	23919182.33	12095705.57	14039940.14	14455514.12	8485434.628	10146102.48	5873245.932	6805984.627	4751709.576	24249151.72	17970613.81	9957786.549	11223209.69	6951952.135	5103664.641	12810212.32	10399303.49	7700025.491	5674221.259	21078871.3	8480922.79	10422200.14	8603878.966	22865276.61	20494606.76	21295730.75	17092369.94	23492395.55	18889510.02	10386075.78	8386680.647	15829241.78	14062582.29	9026477.898	13018853.1	16313606.14	10515933.79	12450179.91	9660053.204	14686434.2	11625182.01	13196792.29	8715698.872	14091690.57	20509623.67	40468569.4	27987320.46	46886839.29	33483451.25	6021503.107	4254629.969	7014350.423	5217007.193	12276783.17	8107143.618	16238960.31	12712947.7	15412927.61	7401583.348	23666739.56	19280895.52	1355853.86	822026.2444	832419.766	1626028.6	1049849.321	1273491.369	1326686.735	1575353.561	16373577.59	17949728.01	18022791.89	19409152.74	19567603.31	15993105.24	16631559.43	17757538.27
ß,ß-Dimethyl-?-methylene-?-butyrolactone	22476931.65	11176355.25	17874475.48	13421182.29	29596159.29	21111284.71	15078177.31	12895125.97	13050451.75	7162976.753	13381353.72	10199957.34	12309750.41	10339651.91	10792192.19	7523555.12	11783591.37	10228406.12	26258572.96	18854763.03	10747528.34	6245289.445	13651598.19	9022973.365	5629271.335	3557569.41	5152428.597	3611730.333	10551614.01	9057501.554	10483921.23	6019445.176	5303613.428	4573085.244	9157234.26	7105454.34	4846680.169	3059117.827	19945115.27	8596023.325	9851771.738	8585254.64	23412614.82	14991673.21	26948907.61	20798105.21	21278386.89	25665778.69	12537894.73	9082742.415	17710087.18	13606777.93	11724400.3	9447445.505	12544242.52	10032849.47	12837713.08	8269448.027	22019466.44	14534778.41	7415895.88	4700412.174	7634073.842	5080869.52	16801996.94	13146125.9	47274280.78	36527860.24	5973265.351	3511107.156	4355636.89	3373450.754	12129887.48	8407691.797	15169619.24	11088997.1	6389778.837	3599968.243	9695897.914	8792305.247	641106.8451	1021661.39	1015806.978	756374.0588	836651.3054	807977.8739	917210.8919	869964.0328	11320037.6	12675680.44	12660686.92	12447745.22	12772573.11	11628338.55	12050031.93	12031865.67
Sorbaldehyde	27306936.88	12924396.74	20085554.96	14069674.19	35536371.02	20760154.77	16652578.29	12576747.16	17409164.58	10935310.73	14357374.44	11583670.94	16926297.91	13107501.3	14314904.81	9324813.312	15244785.31	12162698.5	33836284.08	21757346.75	10965213.81	6802364.199	12577511.97	9347172.231	7859346.275	4502601.279	7174571.273	4222974.777	10880021.94	8388516.227	10604919.29	5721274.344	9321089.302	7700428.388	9300106.036	7171416.009	7206758.101	4512286.463	20645193.53	8878569.767	13342309.85	10156390.79	26047990.7	17649628.31	29798197.21	23945702.4	39427551.29	29001194.39	16364845.79	11428003.83	20087288.96	15195161.71	14571527.29	11386405.62	16330775.32	13740419.8	15760492.36	11137362.64	26139339.59	16850797.86	7527303.567	4878079.96	7882462.332	5477789.437	15340662.63	11708146.23	46094396.82	34313561.8	6729128.008	4391184.554	5260519.809	3756446.375	11911306.97	8107082.355	16431981.37	11109562.33	7705934.997	4957081.999	12536008.36	10359513.52	1028831.673	1043417.084	1136622.399	1209799.922	1230454.218	1029857.486	1150042.293	1157817.23	14737638.46	16668692.08	16486036.85	15853412.24	15414493.53	14300819.65	16487415.01	15847944.14
Pregabalin	1110116.889	561359.5716	255261.0879	224041.5277	376920.3306	514382.2132	23286680.78	48093876.21	662134.7832	497524.5853	142053.2083	225856.4533	8072378.183	9540695.836	64645.61224	97073.01842	114608.29	80931.3105	20796884.25	13590506.94	17966977.99	20193726.26	627069.9741	516214.2687	1543573.212	1426374.101	313813.4474	164381.8238	2444091.469	1938400.837	8575612.53	6517868.145	532641.1715	440705.3116	308929.3486	331147.8251	3391338.777	2957304.842	635961.7755	450720.6297	92038.2803	317022.3003	19707291.33	16837009.54	204613.3264	107211.0869	135957.4221	408229.086	137317.3783	127047.5543	404686.7102	372614.5134	20980565.95	37087751.81	77354.80952	101010.2857	207361.4435	195845.9462	124059.3523	101578.024	108946.134	120026.059	21894321.83	27786487.63	238666.0071	374020.4047	2337555.624	2164264.529	314605.7041	338372.4632	2715257.18	5700215.51	335939.1401	387280.4474	1278730.626	1405950.05	4560251.871	2717927.416	14114348.89	16503381.72	67834.64654	53129.68804	49135.66201	50021.62407	48889.52481	44395.92459	43035.92884	42765.10532	2739340.194	3530079.483	3788963.339	2969927.645	3552821.576	3976846.058	2813975.239	3072694.945
Cyclohexylamine	9785708.366	5375080.991	14652446.3	11845403.68	4790544.153	5414084.976	12068099.13	9215687.89	7417029.974	4697407.467	10612430.9	10221588.93	7624481.234	9061737.664	10974537.97	8652608.631	9502412.267	7658483.98	17975785.67	16312973.48	13487163.59	8084156.07	16169640.76	14769622.87	7755632.943	8374504.855	6544161.399	4608521.102	6713130.609	6788471.622	16185318.58	4470834.054	4290967.34	4519284.477	47731532.34	34697939.96	10252013.98	7682339.653	13725172.6	9178870.562	7314389.929	7690886.218	6776682.389	6836099.173	4610676.185	4539295.191	3859576.762	6076442.264	4791581.262	4507984.674	11932381.62	11709782.34	9832782.094	11471369.3	13145967.93	9978400.702	4593780.679	4673512.952	8513323.933	7018692.469	13430814.26	12068506.43	5732133.804	6026385.542	17190105.07	16386704.3	29398736.15	26011268.5	3679069.104	3825245.848	18832850.92	14155681.35	19616149.38	15200690.16	22804898.15	19142488.57	13396989.41	11294783.11	8784807.167	15602552.08	1247664.855	985634.968	38488.52318	239091.7373	234869.3439	151329.6099	157741.6732	122976.3204	5684902.773	6664688.726	6066986.092	5829422.309	5253474.182	7347103.732	5608279.044	5969337.977
(+/-)-Camphoric acid	23048974.14	10157856.82	13542854.74	10975702.3	32002743.62	17376150.17	16227053.79	11421365.73	12708724.37	5378266.564	10004726.14	7580158.772	10983288.18	7901908.128	6840423.273	4924437.09	10637887.89	7325004.512	20214664.71	13397431.61	8307189.658	5819429.583	13530122.35	10325475.67	3692572.357	2467027.751	3579853.995	2065720.505	9605344.234	7572239.134	7248066.173	5332893.787	5111852.695	4493383.691	5517021.789	4395540.861	3541422.577	3360705.724	15465668.11	6591552.763	10600141.67	7876274.851	23183326.37	12522188.95	25966430.69	16702837.35	18035384.57	26684720.37	11443763.45	7366355.431	14818355.88	9713809.197	13790289.7	7242183.356	12118054.82	7630573.684	10717976.24	7601197.209	19987939.89	11306042.72	2992082.881	3513722.054	4065068.891	3922745.452	6131367.755	8437193.802	44094588.68	28050245.54	4267699.889	2912918.657	2485504.104	2074014.049	9221239.668	7029021.93	16085960.96	10670001.84	3295867.581	2157443.04	5614998.952	4529177.029	786992.8314	464061.4166	134234.0606	131517.164	420242.1158	863903.2472	924895.7924	157389.2772	8911987.329	14726828.55	12562729.45	10453273.74	10687671.16	10770684.81	12332422.76	11202804.37
N-Docosanoylglycine	642367.2065	256715.6107	526806.3433	416666.0752	410602.4003	347721.1279	36614402.47	26375768.81	660006.4829	695542.1854	468500.0087	367773.3252	730087.1327	449006.237	360906.127	256107.5036	477299.5245	442840.233	42634224.22	23413985.62	39711557.16	20296814.24	399804.4531	322205.1366	361398.9384	278892.4056	447206.8597	336126.338	437847.2728	420178.7175	19191853.59	10741596.06	435003.3293	358890.5919	475287.5156	392077.5377	390342.5326	612346.0541	488609.7859	255943.8294	462489.173	709685.9697	30723616.4	17304690.29	1092398.136	772679.4739	926804.4038	748554.0463	418848.7215	350832.3183	555982.1515	441601.9362	25951075.65	8303281.959	430868.9073	379097.5825	446676.6586	532136.406	938896.3814	607971.8911	463173.3631	364998.1075	41584638.61	23845818.43	635155.0965	593076.6701	1747911.425	498126.046	387973.3357	370823.0829	401541.0257	324298.4383	419182.3818	349067.4688	393714.1942	311506.599	20524800.25	12458247.35	5072736.723	3623541.802	109267.805	169796.6683	157901.4471	173817.3865	248583.824	198693.5311	184290.6771	205881.5518	3613488.134	3334140.057	3143410.111	3274518.063	3147722.943	3371052.807	3240864.776	3696142.877
n-propylbenzene	24580556.91	11829487.36	20991206.38	14524949.74	24919131.14	15080168.95	18465390.33	13718063.47	14189293.85	9924529.63	15223159.82	11520330.75	19784445.76	14547449.99	14249169.64	9710695.982	14648115.58	12593443.08	32115557.6	22616456.45	15250757.67	8818030.21	13307683.51	9152287.768	9407122.566	5859219.788	7046221.398	5203706.673	17806485.68	13599647.25	12894276.35	7110208.642	9378624.879	6796181.572	12624019.38	11047917.96	6887100.754	6188669.34	18233706.51	7959298.373	16107944.41	11054770.02	9335378.004	16382310.3	26803477.64	19024145.41	30870447.27	25478437.77	13385699.81	11134965.06	21743539.69	17439009	14896725.92	11778305.79	14716913.19	12382088.2	19412912.23	10625715.4	21771580.58	13024582.56	13177508.25	8422176.763	6937465.805	10540327.08	33021701.07	24446937.58	45758339.26	34813667.26	6751071.555	3547145.308	8804294.843	5631444.1	12294175.02	9007584.458	13604979.77	11158448.12	11901432.69	7274329.756	20167830.29	15002581.01	910594.603	781075.124	886962.6098	1003305.411	1287514.863	882321.752	1051459.261	940070.1271	15162074.01	14757006.99	15430613.66	14958222.45	14840226.81	14548721.01	16688479.86	14112912.41
NP-004036	42278933.75	23232595.11	27084625.35	21333910.53	35974668.24	27088250.68	33443475.1	32562225.31	26253625.24	18124747.99	26550116.24	18279467.32	25233067.25	26153067.32	24401839.56	18133139.3	22796041.17	19688724.36	39175506.77	35405546.61	21932518.69	17695277.47	15883764.89	12477605.68	8247769.488	6238217.441	7891476.642	6691276.947	10209526.66	12929634.06	21964550.77	17857090.91	8800084.18	9020905.263	11957682.06	11825820.48	7515301.373	8112649.632	22039653.91	10314861.03	20163239.81	17520278.49	43839095.85	31727639.5	33545489.15	26134405.66	35932985.89	30220722.69	25762471.89	19237232.19	29820968.09	23634337.74	29371457.62	22327683.36	28957664.17	21895484.07	26965949.11	18934401.31	29790330.87	22227637.23	8110270.443	6772007.988	25448851.37	24770914.52	11802388.78	13339232.3	39217470.26	38472104.75	10318720.75	6869664.764	10133074.94	9200612.242	13949308.99	10439546.32	18649449.43	15966958.69	10960155.12	9172734.984	17541761.07	14694217.63	3482739.844	3204954.686	3175451.455	3105728.335	3221035.24	3107924.917	3174689.947	3160304.324	21132384.06	24331556.8	23386194.85	22940974.43	20789279.76	22719109.45	22870483.81	22754622.28
5-Methylcytosine	34325753.4	7870073.372	28715117.97	16957193.01	44205223.56	20091611.17	15767346.76	10047717.2	16812716.62	15895632.96	46181998.4	22162333.97	30243215.85	21803762.82	28034847.25	18967656.55	35893892.77	21199430.18	22857004.73	11413359.46	25177761.32	12368668.78	28796053.56	15704550.98	34646263.91	13700669.88	23743097.83	13077498.48	22237960.61	13284243.84	25308239.4	10161192.2	33770509.61	19633595.18	32271541.94	20414512.45	34110353.21	21225650.52	26264390.32	8359712.669	44395559.01	28783831.85	23911234.31	12273575.24	25374092.38	15745834.64	31788108.71	15746427.5	28286059.37	19324466.92	25314549.82	19663712.36	17809340.65	11129917.77	29897785.93	23570000.06	35848876.41	16485338.1	39883717.24	15308659.71	24164278.95	13518620.97	33230147.46	18850520.7	26872383.04	19702289.78	34123174.22	21875043.43	28625134.04	12113434.87	36602984.8	18245452.21	34694306.26	19346533.28	38771350.22	18554085.65	43279508.51	18805991.28	34567372.02	26470549.23	135427.9695	139046.5091	126716.9673	126578.3278	133492.0849	79872.41132	90257.10504	80854.62555	11925558.88	26054445.5	24921822.52	17541762.61	15229491.83	19453305.88	18675414.96	19891425.41
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine	943544.4931	194496.5425	299491.344	392869.1108	876346.5	648607.9729	25419736.71	24189384.76	1337337.805	427945.4002	403352.8971	404305.5799	12930046.57	11662262.18	553003.2357	516083.25	239523.0992	280434.1193	46161088.17	36856257.32	24485875.39	22032665.12	760684.5067	615506.3235	1784158.894	90227.24419	973344.8235	36864.4005	1328522.005	1042481.443	29532691.08	22186438.8	210107.6897	340558.552	423648.985	355315.6019	3650773.692	3217837.753	1133877.047	221812.0522	166175.6855	338429.9516	29831361.22	27269720.3	493688.7322	517276.2687	518564.03	433677.763	266217.2451	443247.2395	489512.9986	463664.0738	29929861.14	24596893.56	186325.8344	259108.7699	243329.0806	168964.0297	294516.3448	131409.4901	197387.7311	103094.7065	38793795.34	36892120.66	190079.2271	252421.6998	1933887.067	2697068.523	1011561.552	132839.4679	9781941.91	7737376.61	746201.5862	798763.5231	3731460.481	3830182.312	6642594.089	11993872.67	18769817.03	18807818.6	131203.7867	422715.8208	74969.31085	331301.249	292177.8467	265899.0801	292893.1313	270600.7695	5419862.052	5372915.788	5341826.086	5197110.16	6620140.711	6290683.972	5903306.591	4329086.066
7-Octene-3,5-diyn-1-ol	27085794.42	11411291.33	20758991.99	14931546.3	27930101.52	18167660.98	25656292.81	25090084.45	18242686.44	9510243.136	17372846.03	12283846.9	17437273.76	15233420.4	14432023.5	9284527.543	15879584.9	12702051.83	46377757.59	31192272.62	22158703.42	21525896.72	12866622	8068580.205	9540224.734	5990698.966	8959838.697	4543527.987	10117289.74	7661698.821	26185545.33	20407228.13	8740965.242	6166455.676	9580013.509	6764813.188	8014946.579	9600786.675	22778147.17	9666293.585	17917058.43	12899197.7	30814200.8	26400693.27	27295113.8	17982640.49	25468346.33	20007111.87	15900894.98	11158629.07	21773962.68	15748413.95	26666917.54	25237377.69	17558814.73	13229579.97	16930674.24	10656620.56	20551306	12879218.85	8802783.122	5845429.735	35170982.84	31294291.79	14403416.35	11911398.7	31480549.13	25961727.73	8494776.431	4713668.707	12839653.17	7934108.831	10758426.17	8555919.767	7078066.852	9587814.143	9672549.903	11563317.38	18508635.44	16916017.08	2229286.386	2102032.483	2160259.644	2095258.486	2016998.019	1651837.733	1779138.622	1751423.069	9398373.135	9514707.107	10471867.7	10881514.27	10560925.71	9726614.874	11254590.51	8324048.456
4230434	2321036.105	815404.9146	976863.7597	628174.4023	2129849.683	1552922.242	361448.0714	1677488.585	43695330.19	24881114.39	1134663.987	623181.3943	1195224.654	809847.5701	1346045.957	1204858.243	589893.9288	499330.908	1993210.08	1012568.263	3641093.257	1800459.149	7137422.578	3797921.582	1428667.423	1025091.245	1478836.847	793484.4639	1497049.238	1372512.391	2138363.083	1109940.354	2705135.661	2236899.273	5446408.485	3698854.103	2099202.368	1662946.908	3024396.543	1614097.848	977020.144	696085.931	1606155.037	852519.5508	678961.8424	714091.8226	1660842.634	1239556.327	2558167.568	1935434.251	1106809.958	653463.7174	760642.1047	713896.4224	930732.916	1058908.801	1211898.466	786517.2188	3949840.182	1856421.377	1891325.858	1022399.817	2307485.723	1348430.631	1012653.235	791411.618	2465556.561	2756493.214	727893.4962	748071.0391	1561829.612	1051893.078	1216192.047	1060730.778	1139936.751	575976.3871	1210238.876	714703.5059	2917092.722	2539178.191	100408.2631	377415.5168	1719587.678	186905.8715	308777.5089	471846.72	255255.9721	197955.9531	7109102.586	8715211.784	7093659.591	6964900.795	7193892.76	6407260.984	7652392.311	8142760.955
NP-020014	8049298.267	3329339.428	6844700.119	4743499.667	5399850.073	3735104.89	3723629.692	2563652.926	4772994.177	3188033.086	4932297.361	3340205.659	7940870.109	6093542.172	3920963.16	2791024.74	6109382.26	4807420.751	22127611.35	13542597.07	8407593.33	5282508.664	9695165.971	6216383.268	6569674.632	3823022.285	4905098.812	2783956.098	23815696.48	17265555.86	5089617.784	3019588.317	4033847.604	3155695.904	13487293.98	9353865.353	4441227.842	3932479.571	8754743.23	4162867.369	5085015.149	3825707.85	5749584.665	3544553.137	5262182.988	3525831.335	5326832.095	4548201.169	4289049.703	2836715.739	9768871.563	7723543.349	4986584.575	2441572.289	4726837.656	3370654.351	5438062.727	3847152.796	4476739.521	2718972.28	13555523.75	9269033.8	10763367.95	7478233.703	40496317.16	31693981.61	22416044.57	17518149.3	3861659.355	2053806.222	4747210.398	3145740.93	5914988.856	4186224.246	7443272.526	5234693.862	13204006.92	8908188.06	18310797.37	15387325.78	538739.7275	568492.3457	474850.3437	621651.1982	569262.4709	527206.9224	640961.9081	687504.4859	5692775.691	5584395.708	5820728.747	5021401.43	5330612.292	4963756.359	5576530.02	6198522.603
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid	12690472.87	537300.5487	3850116.944	414957.1236	19236768.4	1960170.874	35298561.25	277507.1518	11511320.48	832833.7158	14162433.59	505142.3694	18094455.23	4049072.091	6318572.71	782878.3584	1635859.167	486901.3503	17767424.25	2417872.305	6984838.796	1000958.026	43077650.75	683846.0514	3930384.537	617577.6429	13164857.13	607718.0938	48158864.63	3724629.705	12122396.9	964042.4189	1715302.691	477758.9277	16213707.93	251088.0717	1320063.759	965625.6838	12569029.17	297588.9892	4109554.715	1783785.822	25229876.59	1955809.998	8169743.279	710633.8105	27547646.59	3739344.777	7186821.997	2334282.917	12783688.26	861628.3832	15865851.24	1942925.177	1134402.299	659394.1107	6381986.795	608559.9377	9315564.727	532804.4206	1957967.588	188414.5301	5220477.221	556386.2086	13092471.27	2088372.334	16428268.24	3356095.193	10408814.31	1081377.171	2241993.984	215822.7442	5974738.511	548182.4418	6979782.245	924201.3952	10910111.32	1089684.692	12371183.69	7975294.872	183568.1298	149940.7662	142014.2263	121585.8655	168852.5693	137635.9621	124378.8701	119535.1604	7157955.48	6629192.084	5873703.76	5770153.657	6454136.364	5786862.378	7774581.996	6448994.125
N-Vinyl-2-pyrrolidone	3009470.63	1723958.689	1889574.817	1456946.853	1468620.913	1042500.469	1197510.235	985332.3059	1587018.206	1050882.577	2713013.653	1737953.311	2196123.431	1399422.884	1969927.069	1385176.075	1622975.869	1381840.115	1321130.478	1204783.554	1360331.274	970627.0669	1483146.941	884951.1517	894816.1117	600110.0932	655971.6002	593052.9417	913343.0762	1370406.649	899489.246	833964.928	767634.0808	669808.1108	980405.2415	975040.8043	1088618.437	1458751.129	911472.3986	560710.3541	2223739.72	1867365.757	1878408.774	1322012.851	45981111.19	41724911.2	1613076.328	1054503.539	1437927.455	1230617.148	2580613.305	1796839.374	1776263.188	1190026.321	2217941.791	2000981.432	2312767.328	1729526.248	1527206.37	1276152.756	1696526.203	855628.1044	1203387.94	819374.4091	1664072.127	1146788.911	1309551.18	973410.4732	668570.1268	680157.0087	691404.8388	465764.6708	724032.3814	703655.4071	953619.9528	1209109.882	601279.5247	531156.9409	732963.8948	1104735.813	225191.4832	962123.3811	473306.7176	1277841.094	1282032.579	1247150.488	1514897.758	1384184.058	1553030.828	2045330.451	1583434.503	2322832.634	1589451.801	1766710.699	1793638.755	1783207.587
Isobutyric acid	3564441.499	1912021.538	1740293.228	1596334.334	1996480.299	1451723.42	1970238.07	1463758.711	3245170.116	1900732.272	2536434.534	2876578.838	3516641.203	2509593.628	3285422.677	3380460.18	2426491.422	2398414.951	2066929.784	1108627.053	1583727.308	799387.9223	2150502.329	1565478.366	1743798.783	941022.1345	1549977.446	1033687.283	1543933.855	1135552.717	1368559.824	1156133.676	2476565.331	1561417.669	1715772.422	1430782.599	1955971.56	1221274.814	1810500.322	737725.3825	2189894.717	1795459.575	1792044.254	1098029.463	1703990.393	1688692.596	1713291.044	1302369.999	2069891.542	1683110.295	2192355.965	2094700.365	2040943.697	2543338.546	3455048.357	2520771.668	2700874.176	2027900.925	2132060.82	1154799.287	1581541.522	774678.5724	1550711.592	1198910.243	1625350.19	1341744.412	2369164.986	1783597.01	2175107.036	1352665.437	1668913.126	937932.9642	1729585.557	1821760.179	1674774.209	1213973.535	2043998.024	1259612.194	1731748.903	1675173.127	312885.7866	1025801.055	1066967.377	1215043.908	1178328.955	902756.1732	726321.1639	1039770.681	38043019.24	39723222.65	41838898.89	43119787.2	43704238.71	39233061.36	38301402.47	39757146.84
m-Cresol	22106303.34	11218339.67	16585668.18	14805012.22	30465819.61	22069540.74	16411633.78	14171807.79	13471239.54	8389829.905	12860961.05	10249462.76	14916937.51	10651635.18	13187241.47	7973860.294	11825529.18	10330512.01	27415067.85	21008910.84	10895341.99	6805058.447	14194370.11	8604215.158	6473607.594	3837955.577	5562259.051	3647300.899	9698718.341	7599129.602	9897744.941	7774668.845	8656631.86	6718894.097	9207290.877	6456581.387	5860830.947	4717458.416	17622638.63	7841936.857	11248946.18	9511536.973	23632811.44	16592238.36	23935455.97	22214065.47	35789702.28	25742634.58	13756328.53	8893015.375	16406535.77	12896440.98	13192255.51	9448251.453	15138949.43	11799137.83	12798141.47	9502508.285	19863539.63	13928216.94	6882110.599	4942175.341	8024605.705	5421237.286	12108944.15	11214890.74	41352839.51	31513710.52	7055242.962	3761682.771	5108209.642	3630456.034	10480016.04	7387653.723	13000360.89	9136165.415	6501275.039	3672946.254	10363633.55	9413960.378	1191413.369	976782.8981	1199886.394	1361308.602	1308249.84	1075839.417	1331787.396	1459662.589	12598977.99	12466653.84	13754359.66	13908668.2	13037427.07	12090676.4	12403879.88	13443784.66
10-oxo-8-decenoic acid	26270751.86	12658270.61	22110087.71	13623050.05	31142511.54	20658616.98	15859110.35	12892783.43	16085431.13	9251041.082	17892675	11724242.18	15318903.11	13478954.22	13846484.83	9268591.458	14982593.25	11385296.68	24752147.49	18451071.53	11878242.47	7489455.066	12374480.26	7889790.141	7394391.815	3897353.583	6249873.716	3934522.549	9038132.575	6387403.358	11931551.45	7355503.351	7664298.225	5875507.827	9639081.347	7336897.083	5157777.231	4010395.497	19694237.6	8012699.394	13427791.84	11433735.84	24151608.44	14445833.97	29154922.25	19805903.52	30886846.95	22841435.71	14193457.71	10836381.95	17920360.5	13929571.16	15041083.66	9950004.448	15974046.78	13401372.54	15635062.96	10532266.11	25676458.36	15221947.14	7388351.001	4884649.603	10134663.4	6606028.821	11524202.58	10023746.45	40848994.43	27859587.2	7447232.308	4660695.248	8341172.471	4973370.737	12331570.76	8544963.349	16578644.45	11362279.24	6958234.834	4246147.14	11080307.64	10295849.81	2034403.886	1818280.468	2000216.902	1969268.747	2305423.934	1898452.529	2099748.176	2199589.514	14993652.54	16328392.22	15914425.01	15544675.17	15973263.36	14389433.32	15307695.4	16384837.39
Penbutolol	4410766.264	1610747.049	5215184.185	3426651.726	6696784.597	4626770.86	29329141.72	19160351.92	6222849.255	3058591.026	8108027.651	3640591.736	25211693.05	24469836.36	1155956.399	577880.0986	7423444.108	6894726.638	22351430.71	13905817.62	20131957.73	11673484.49	10958873.9	6575836.961	15036760.86	9297786.219	8259486.491	4952813.135	8196764.976	5701845.158	15910036.21	9614676.761	5161288.137	3617555.819	10445399.22	7485491.585	11158738.18	10391003.99	3602821.708	1210181.846	8470623.506	6315475.991	30377524.65	15809276.86	3926647.473	2579383.893	2741738.873	1821055.532	2885928.19	2746595.738	10178273	6307426.75	20678755.17	12944633.5	4336979.564	3758637.593	4089830.309	2510825.529	2645200.823	1562027.759	7366711.457	5410765.598	43838571.32	29609062.64	1597242.145	1487773.094	11487074.13	7320478.395	4471519.174	2654611.306	5752023.697	3706382	6099836.265	4541070.443	5011266.378	3186214.136	14404539.35	7993662.408	26772684.13	23275931	330719.7806	460782.0408	333098.9702	427613.6976	421863.1788	310628.4551	333359.8336	328295.2461	6313011.34	5991864.215	5657874.089	5412368.982	4746544.115	5751871.515	6682362.841	5853552.521
NP-007138	1363119.236	646046.114	1703476.968	1058205.508	994672.4048	785694.2702	4424613.948	3164365.589	1071220.508	629130.8173	1144856.885	812988.8553	3064533.561	2246645.923	799732.5248	567537.0298	1043168.749	951919.7983	1461266.739	942592.0704	1061446.688	866267.975	885138.8853	674302.7741	800903.6589	867475.5807	992046.6764	932194.7504	1178691.193	888160.3835	896223.4745	816843.8253	41028966.46	29219118.01	1054223.505	877642.0583	866095.5089	783845.3178	1885922.367	888437.9195	1216340.225	805907.3887	2433980.313	1550883.487	1143425.559	968200.1868	913402.5847	992739.4293	702301.1095	635314.4374	2057034.875	1015200.584	2286044.257	2121055.037	1129235.938	976119.9219	985027.2432	793964.0683	1126463.994	739916.9033	936864.1832	1072433.01	2196831.968	1579825.338	2050583.244	2191253.824	2057714.893	1535271.464	648900.7265	475952.0821	948514.3837	953600.3305	928208.0768	723955.5706	3193468.669	1875228.702	1084569.465	870960.6686	2329798.776	1831581.002	270400.3345	229186.8456	252729.6997	263885.8637	291315.5579	302643.7638	517840.5607	589122.638	1022593.962	1099443.732	1347486.982	1326902.447	919490.4179	857540.1834	1151524.833	1265013.422
NP-000919	15463367.32	13125245.69	14481628.05	10650824.91	29660081.15	21429032.95	12033458.71	9628294.112	13497691.2	8599533.261	11934893.83	7743671.961	10229953.59	9275594.423	10225017.25	7498264.877	10441521.55	7605953.981	18387598.79	12995130.79	8346999.937	5398165.516	12372622.81	8477122.997	4378897.649	2921039.222	4650962.645	3438846.95	5864697.901	4078807.321	9247034.601	6048582.894	6823537.09	4119729.024	6789450.475	4944104.47	4335676.975	4477404.669	17175252.77	8504323.547	10041807.84	8907517.443	14393032.28	12474656.01	25686739.44	19231621.26	28850752.61	21955486.71	11367482.82	8779794.619	14630061.08	11440221.91	11406315.94	8313421.234	12899133.94	10691629.53	13063451.03	7844798.402	20651882	12415753.1	3665503.336	3385685.405	9607823.346	6835851.248	6296083.171	5415534.364	39582875.68	31900426.69	6017854.639	5888572.984	3828276.178	2578779.274	10551320.5	8521039.491	13962920.86	10707427.97	3913422.514	2913396.088	8037003.74	7901741.525	657332.0779	738273.9015	779626.6358	801939.1691	754232.3571	797493.3204	916118.4546	976156.7878	10530012.28	12412119.92	10783860.62	11104558.55	11401655.79	10191046.44	11348062.79	11567546.42
5,5'-Dihydroxy-4,4',8',8'-tetramethyl-4,5-dihydro-2'H,3H-spiro[furan-2,6'-[7]oxabicyclo[3.2.1]oct[3]en]-2'-one	20315891.72	9789122.893	11064068.05	8161669.641	21854334.32	16160405.4	11322694.89	8632621.768	4124939.045	2843479.507	3531353.763	2582795.118	3179433.169	2599382.01	4191772.771	2938022.246	4355528.29	4001699.405	17423099.41	12668524.28	8124949.065	4926043.494	7137760.795	5016660.667	2849467.042	2010806.991	1795063.157	1305909.72	4589996.042	3257828.263	7114646.741	4299728.796	2265361.031	1890639.006	4376817.469	3068385.154	1716188.24	1404222.792	22159356.91	10753513.89	3605474.284	3968426.134	16303145.62	11359463.14	25587957.83	21102271.4	29952677.33	23721536.28	5558987.67	4372233.3	9120414.849	6636032.409	5050718.72	2904345.605	4747749.962	3727384.823	5204534.734	2850086.488	22020584.53	13549147.99	2652357.592	2249137.035	2558852.408	2638744.15	4088573.428	3133782.026	39373539.37	30997358.07	3634664.674	2478455.79	1599286.929	1522982.924	9823184.526	7154083.576	15954900.89	11513101.04	1902675.732	1529013.238	4361750.814	4706089.51	644181.8677	467177.6761	575028.0375	517801.6291	504237.2907	635896.5526	648548.7126	729326.2176	8880912.414	9456790.863	9854298.496	10783366.46	9075655.999	9107612.362	9408698.255	9307467.32
N-Acetyl-a-D-glucosamine	28788030	4481011.295	21060302.9	9799298.468	27036189.22	11983256.16	14357488.31	7176687.21	15669848.62	6486785.624	24118641.67	10055625.11	13280263.94	6183949.302	18725395.4	9697076.738	23838862.36	15355558.87	28066425.47	8132674.946	22269208.3	6642574.228	30210946.5	13916946.86	19938932.23	6129735.324	20052677.54	6160157.443	18246416.4	10115481.66	26413729.09	6790276.331	16527049.39	7767163.794	16329073.82	9829156.667	23638280.96	10408245.78	16099762.29	3082172.864	22512074.95	15762269.29	25680562.06	8480567.02	23437485.83	11214958.59	22545965.17	11348377.76	19529683.2	11142997.7	22009666.38	10794999.23	20208101.84	8464108.757	19486956.81	10662381.43	21753703.54	8220790.575	24758137.37	5916325.709	25011090.74	10357002.35	38964825.92	14989343.24	37702109.09	13230067.02	41150032.55	20937083.37	27970855.22	9561026.412	24566635.96	9890918.772	24932097.87	14891055.03	35440710.46	14313259.59	23422756.82	7123367.655	21079428.46	17482876.92	1572193.679	1474523.397	219676.744	1211038.923	1112365.501	167726.3965	172277.3044	165513.6605	17975588.43	16558773.2	13339339.35	15718514.85	13822447.19	16107570.14	16332290.87	17263991.94
Panthenyl ethyl ether	7371850.594	3512743.01	3668046.475	2172542.677	1997741.981	363889.3757	1040385.312	847657.8927	3839992.371	2084507.491	3606641.213	2270956.35	4921241.19	2790564.648	3650059.828	2340657.418	3211671.978	1858503.261	2031116.247	1436438.538	2124314.048	383164.4315	1378713.707	1148266.21	683415.1508	508072.1249	863984.4456	502229.5182	734762.9815	685910.3019	753581.3728	484913.1485	923659.8949	920564.7341	847411.2452	401378.9223	480696.0142	443460.9285	2219446.041	1693212.009	3854642.932	2375472.584	4304027.471	2834808.963	5126304.536	332848.2876	4452420.084	371969.1291	2889736.229	1650882.286	3851433.832	2241751.835	2045068.967	386310.5299	4560119.215	3276923.827	4226825.554	2221675.395	3263323.239	2212764.045	688293.3301	397282.2954	615899.1856	446445.541	722134.2537	680185.2837	2686323.128	1821498.505	1988642.743	1173671.911	719013.4577	882040.1912	1240345.331	1038536.854	2246286.569	1849877.84	1788527.326	709659.0453	907532.0245	605484.0772	638708.5817	505881.4342	395595.0726	391475.4674	367950.0771	241209.1757	195362.6164	202765.0704	36177003.21	37143828.06	33047192.6	33092816.05	33306110.24	33879711.72	35445894.91	37671638.49
PEG n5	45691436.86	43528583.92	13297944.55	23307205.32	8970287.627	17638461.45	14396235.44	17683025.05	16796398.29	18998983.43	15744099.32	24669805.67	8737607.845	15359745.19	6573757.209	11917883.54	5808473.106	12090826.17	12607674.35	14962158.38	29747912.11	35909748.69	38258275	36454493.02	11086990.64	14369892.85	11129457.67	13642149.84	14396733.67	18126840.43	15823584.79	18277970.48	33132766.77	42092620.9	20626416.07	26299403.27	11292909.7	15730222.47	12327214.5	9627494.207	15030806.29	28361635.56	12032134.88	18595008.35	12487946.8	19489573.97	12533184.59	23080085.62	8122848.273	12742250.88	15455425.16	28279038.95	12200729.48	17120690.9	7031075.15	17809315.1	19370842.17	23776036.8	14177150.15	18443185.13	27460304.77	29191039.36	14512823.43	25957130.18	25032435.63	31121026.96	17501449.21	26362578.61	7673626.34	12148428.72	7010365.481	11856467.62	5430487.249	11224996.12	10346559.81	14406571.52	24166728.03	24797809.28	12581388.09	20002320.07	6729814.475	11301921.29	11953255.03	12094781.58	11855538.67	12531290.99	12985960.03	12400597.71	31421991.16	32494385.52	28244975.66	30381900.1	28807980.77	29674893.12	31581455.75	30895531.18
4-Ethylbenzaldehyde	946116.4532	782053.4266	375658.669	432147.3954	562560.0009	674480.7455	21487033.51	19011225.46	673005.6136	368809.8905	445491.6421	379457.4536	9085925.263	8253962.03	279812.8953	324580.8809	356499.6879	197778.3726	35754337.84	29545789.21	25622426	25734443.93	568075.6732	2734542.049	1012616.269	795592.757	532247.2004	337511.4698	728223.4885	645827.3227	31279627.23	23328327.66	315234.6041	406290.3644	296501.5123	367282.0828	2631024.894	2250443.541	9341487.834	394888.9167	209288.953	327641.4961	31999612.22	29244642.14	509265.9041	467774.6353	425300.6411	686167.887	304938.2357	158026.3388	587354.1414	596117.6363	27364558	25606412.91	362238.5208	306903.1736	353883.9112	357661.0456	220333.5096	71979.7133	403968.1006	3935228.975	47079413.14	43705264.4	171214.3571	669508.7784	2018716.426	2397698.022	544273.5793	412633.615	8708864.452	7025773.947	556145.6021	549860.1419	2208760.191	2821486.355	7833898.28	9325744.174	13918327.54	11972698.23	548973.9135	69142.90474	206516.1675	379050.721	172866.7755	199977.2431	146318.2375	34840.23484	4296736.825	4499720	5857218.993	5019716.103	5507894.031	4397916.233	4691850.402	4879886.966
3-Amino-5-hydroxybenzoic acid	24819618.77	11679169.1	443886.3581	441717.3473	17108301.18	15406859.85	14019670.95	11426460.77	15697597.88	11133635.04	16629539.02	13812775.71	15251069.47	12210358.91	17639728.13	14629012	274640.4017	218205.3868	15371417.82	10403568.28	14972941.49	8975654.075	24975615.67	18657493.57	201285.8825	170701.2497	22453590.88	15703488.57	7980933.814	5832771.755	17447040.02	12043509.56	15728685.32	12247058.3	5897275.763	5130296.947	128368.0914	121213.2341	23932253.73	12913298.39	240066.3586	362993.1039	24656494.78	17732785.28	23664847.8	18800550.63	16878750.75	13717343.11	28000730.75	24339550.04	16495514.77	13701810.62	15517452.15	13192676	332388.1258	210657.43	34328405.25	26589726.53	20145750.63	14506092.34	284995.8565	445370.9183	32933828.4	27270331.97	30934562.6	25548159.69	24465344.21	20545065.12	20516066.74	15080209.96	141781.4073	169840.4563	16218311.13	14496864.8	32435378.02	24003541.71	24598003.69	17771147.14	33326207.42	29247653.62	184889.354	191814.2344	168538.6528	208659.9576	214729.9106	139495.8853	198373.1978	253247.6689	9551950.726	9999954.15	10651219.02	11164859.75	12220415.72	8815684.728	9437544.684	10227287.93
(2Z,4Z,6Z)-2,4,6-Nonatrienal	29811527.87	13486494.93	17702944.29	13579899.82	29028326.14	20230873.16	23120337.57	15938626.06	15348428.18	10983217.87	15458331.13	11243031.48	17690159.21	12759147.22	11953220.82	8924740.244	13600753.49	10695223.64	30897235.06	19494584.72	14299084.21	8479538.947	11672786.39	7351681.228	6515888.384	3640337.279	5729317.195	3088959.332	7985293.742	5949258.083	11624665.2	8083705.497	6425217.055	5426978.317	6711240.924	5443804.551	5079127.128	4140685.106	17451593.03	8007820.731	13279922.94	10649580.51	25239981.54	17207144.58	25755510.61	20888376.05	31912168.7	26339134.53	14806399.64	10999323.03	16659856.92	14502588.76	16822517.25	11900150.95	15076873.74	12009712.83	15659924.82	9502599.333	24807915.94	14747042.43	5964930.556	3878044.885	13430477.29	8715854.958	9773151.183	8224875.332	37748112.42	31168972.74	6689457.842	3728472.122	5873481.069	4200369.326	10581276.51	7397868.9	15136318.24	9251557.48	6940346.918	4500520.387	13041915.66	11226425.77	724124.6554	966355.1385	916236.8208	923559.4785	1105199.792	1003749.15	1030490.794	1280941.078	13848733.61	14608174.74	15529615.34	14345909.23	14314724.11	13590417.75	14684364.19	14617850.02
L-(+)-Penicillamine	27128870.29	11441358.68	26797782.74	16489333.24	23397591.32	17581247.97	19436208.94	10473336.2	16595119.95	8814251.031	30445735.24	20164876.56	16121281.07	11208007.51	24660736.02	15465173.97	26961679.24	17030526.26	19501757.16	9647168.938	24866303.3	12697699.37	28517308.59	14601282.32	17114615.43	8393719.183	24326975.76	13449379.48	14565975.9	9187926.123	26465733.17	15774045.97	21446465.4	11945212.49	16354295.88	9850252.664	17287498.51	10920384.82	24511374.17	8806877.684	26770686.84	19098841.5	22790628.63	12624375.07	23526514.89	17006561.81	23858162.1	16066520.41	24634901.22	16886263.6	27097102.14	19224384.15	14634304.33	10228596.49	24214141.52	15465229.09	27778257.34	15561239.23	29798529.74	15499907.16	23737470.86	14379472.74	38002960.21	23367211.71	39528200.96	22427360.29	37685999.93	25447230.72	19176998.64	9520180.741	26127646.78	14510960.09	26331394.92	18282310.5	30422162.93	17867926.95	21700193.5	11525983.5	27498813.01	24112312.73	277739.6833	371077.5004	268921.4205	299937.6809	241545.752	330353.8893	500068.6398	333050.8659	15920934.95	13791882.01	14753098.13	14332050.93	13594488.26	14376809.8	15387408.81	15037706.77
Dibutyl phthalate	17505990.77	8755673.421	15148898.56	19285463.48	13084676.18	12107168.83	7547155.794	5773261.049	11833682.91	9200609.492	21020313.75	31181540.2	15091262.01	16481719.18	11263621.64	7889811.08	11346028.14	15579893.95	11486514.67	13223160.57	9331950.464	6910417.801	22524052.18	15197842.83	8654890.438	8363118.269	12387102.18	10797581.58	9418785.309	8893577.436	16132012.77	9430736.598	21332661.16	24422664.63	20014768.99	32087216.12	12752469.92	17559547.91	19319983.94	12729924.73	12688613.42	11559835.51	10900400.23	6907024.906	14893615.95	14398675.23	12666245.12	14974950.65	11220360.99	8169457.708	19414950.76	25770898.01	9606401.405	8246199.865	22758372.35	17179563.75	16127341.34	12164516.15	11493342.35	10354136.08	12897483.13	15579098.98	9812257.987	6455436.105	13721012.92	14133230.04	20421990.67	15888155.53	9537919.437	6378409.86	17533784.78	21185451.26	18092587.61	16524004	12762475.57	12387525.41	9539074.993	6879579.96	11568618.72	12628939.71	1824029.717	6338479.793	5554101.563	7569147.123	9206078.073	6553240.247	8516333.124	11276068.81	5521641.482	4436472.327	5506642.749	4926160.274	5923364.425	2860846.769	4811617.133	6802858.554
(1E)-N-Hydroxy-4-(methylsulfanyl)-1-butanimine	5294703.215	2299875.013	820943.7669	426709.5636	1969163.267	1460833.331	702522.3671	528305.2333	338944.8676	198190.5848	1520841.229	1170349.73	996804.3181	638025.2545	1059331.082	626608.9497	392991.4097	238213.5021	2724660.09	1841492.582	1007719.126	489128.1777	2141667.183	1337336.419	1246762.606	530167.447	789093.4715	377082.0224	1671438.717	1108795.555	1553469.49	947807.8626	377995.4728	329607.6737	2685772.297	2049609.923	1494577.877	1079420.655	3603774.99	1491639.328	562361.3526	238559.9201	639365.8377	341361.3623	408093.8898	279042.6123	720840.2248	704127.2982	215378.4737	168590.8931	1902000.524	1287943.654	419526.5908	324065.8781	935667.4948	874397.1681	738218.5867	636259.6189	880779.6369	316575.5239	36188188.06	27303251.66	1372426.173	595124.5279	1567256.628	868965.7021	4427620.055	3861950.206	193432.5025	255381.4127	633726.0085	353245.3376	1175687.429	845934.504	187783.7505	245170.1388	1484918.594	729534.8603	2230678.228	1842184.663	690366.9341	45519.22465	181486.3876	268725.5693	149015.5338	121619.9227	117561.4362	108774.289	7503034.844	7836154.325	7588318.924	7098875.235	7026294.537	7441895.764	8149868.008	7368814.758
Styrene	24769634.59	11114922.53	18969956.85	13367018.2	25790600.22	17933220.38	18068405.91	13125085.7	16674824.68	9624333.894	16334817.25	34426824.69	17187138.94	12233237.44	13461525.17	9239810.994	15505400.16	12437920.52	28282058.5	17121497.9	13414273.38	6989662.344	11450071.26	7370910.116	10659545.33	4838700.077	7769364.065	4423636.6	11243762.37	8013932.648	10437178.42	6216322.525	8152700.482	6339708.91	8743635.453	6744358.774	7619725.934	6553478.733	16513997.96	7172605.849	14525854.68	11667926.78	22237416.02	15050120.14	24421941.32	18434655.45	29152647.43	22244580.11	16172763.64	11660338.43	18327036.04	14024416.27	16345222.59	36561374.14	16221626.2	11275403.1	16470571.94	9155720.477	22120835.32	13208138.07	7622951.903	5082126.918	9992983.059	5982228.449	13387344.95	12364027.35	33645698.67	26297687.96	8368112.954	4223508.31	7868465.959	5137790.002	10292216.04	7178838.004	13840941	9004996.091	8425313.232	4719612.583	13635778.79	10799924.18	1232213.299	1346113.886	1387902.9	1462763.763	1285951.608	1303436.013	1486612.551	1294546.245	12369019.1	13249578.91	13548401.1	12644147.15	12631396.58	12143769.73	13456761.11	12820336.29
6-Methoxyquinoline	3825009.931	1058017.257	10254673.86	6888626.718	2557078.147	1492116.187	12376736.48	9196318.724	5172253.551	2008560.949	2546390.886	1554135.563	21525564	14042618.21	2617368.72	1400339.303	4673874.16	2924386.881	11929581.69	6414148.811	6429353.062	2825954.879	985278.731	452975.1818	6377674.5	3039577.376	8256321.663	2880192.517	528601.1592	191096.4016	3716043.98	1374023.456	4881738.884	2936586.334	1934720.781	1550049.869	8080073.235	5237031.926	13124120.58	3865564.597	6463820.477	4982219.189	12011090.09	7089309.296	4195714.157	2281283.319	13344853.53	7343676.19	640830.054	454561.6912	9269416.704	4906146.311	11593271.39	6679363.565	3778648.503	2669112.082	5691215.156	2985179.597	39139967.95	18709496.27	13584095.59	5796538.151	9568837.044	5822837.412	1611258.657	1224528.981	3477015.135	2298775.536	9154911.662	4729897.227	22244393.84	10435762.49	2496407.151	1495287.187	9578374.668	6339065.781	3654362.858	1608687.479	6337584.633	4337545.154	107777.8005	92911.69152	82613.32946	102007.6229	84496.483	89400.38321	87968.5921	93247.72415	5065741.854	4046947.846	4698924.229	4318655.629	4732476.862	4412537.446	5476876.2	4112155.588
Cytidine	16829998.44	9852080.235	17384948.66	11417881.64	22069307.77	10093774.4	9378507.009	7629865.485	10900637.8	6635324.501	28909114	17594464.93	11625307.59	10350993.28	18912186.65	12442816.77	13196249.82	15737038.17	20677608.27	7931691.697	9705960.495	7077447.27	24702646.42	16271425.28	15059107.91	11130119.31	11110831.82	9045992.267	11374733.57	8997133.492	19669448.08	18675758	10214522.05	7796123.117	15352517.38	14090419.85	17727267.18	12853711.91	8660294.219	6894522.122	20661823.12	13247874.35	20081679.01	13859428.26	16058268.08	12123894.26	15219148.83	11708836.36	13850419.15	12059093.57	20422381.29	16690613.19	15070041.96	9684325.841	15050253.09	10746880.18	19619527.06	11485726.9	16744058.55	9412637.079	11837007.23	9980767.549	38722380.62	25527520.09	28230708.64	18589512.46	36426611.5	32355826.8	15405318.25	10751131.15	13016089.44	9842435.095	28830124.01	22256212.5	24402338	17082980.05	15781695.61	7505286.555	29428984.45	25452407.56	135446.7392	114736.4363	105763.5438	103876.8184	92882.72677	147022.5762	106002.1923	82052.39152	13432805.21	12824761.87	13462778.76	12288475.86	10953993.01	13471664.93	13185673.13	13295820.32
Tiglic acid	16000118.64	9096573.611	9619891.108	8887216.726	17977341.86	19044886.73	15152951.09	10334104.24	12631932.88	8251403.251	5913657.135	6575780.563	11997340.55	8572489.988	4203122.981	6768600.576	4221724.008	10421257.53	16164488.49	17433636.66	5340886.54	3993996.761	11576007.79	8178942.867	3488474.359	2045790.53	4601820.236	3027203.682	9406360.486	7794466.081	5236540.602	4185998.434	4974026.293	5753667.053	5314574.152	6565063.045	3745211.803	3346332.501	11496236.08	7991572.316	5677316.174	7663548.276	20290101.69	11381517.44	20699531.4	15988385.78	32518082.62	28329731.65	6473712.192	8385216.165	7977021.749	8325881.988	8788471.238	7336068.907	10115012.09	10469547.42	5257507.896	7022508.498	15926156.02	13775049.43	2457162.082	2279862.636	4219102.131	2956773.817	4456713.145	6362409.61	18524076.27	27594016.87	3678926.063	3497535.779	2384816.923	2325864.565	7115704.74	5964883.497	10297403.56	10577123.22	2759251.974	2431914.509	6906746.155	7586854.402	535913.0865	184048.8079	566411.8755	596286.3618	315631.9165	640663.7358	352672.7143	381515.1266	8005052.508	10098001.46	5698217.866	7069828.35	9919434.115	9719109.964	5725875.739	9207748.071
(2E,4E,7E)-2,4,7-Decatrienoic acid	25510680.76	13732951.57	19283265.1	12812854.15	25266369.32	18507988.56	17258159.59	10565912.63	18400197.33	11096046.89	17089229.31	12228666.83	17429556.57	14009920.31	17218987.67	11320613.76	15950047.34	13389233.16	23183795.77	15994024.21	10786420.01	6590920.504	11480038.3	7230010.574	6645517.256	3835263.582	5873070.056	3147480.593	8836632.704	6801529.984	9954721.998	6475766.616	9763004.225	6661872.557	8340053.225	6501493.048	5835582.002	4541149.163	16489555.89	7325947.012	13905734.37	11138141.01	20958280.15	13768526.33	23033092.33	19096973.84	25394785.93	20530513.93	15812000.34	11818220.39	17577450.48	14522532.18	14690069.34	9365722.693	18776964.26	14723730.68	16528642.47	11305590.48	21451624.54	13700138.19	6710841.837	4626395.306	10613256.75	6447641.573	11364245.01	9906120.408	34300277.12	21942828.09	7786697.91	4788547.053	8549080.637	4432129.943	12279700.88	7814991.322	16446697.92	10715064.66	7206999.138	4227284.807	10757714.51	8805641.282	1364617.569	1562081.617	1843315.859	1981288.841	2065720.34	1628676.443	1825195.217	2161271.552	14232105.81	14910305.28	15485941.24	15009742.28	14984894.59	14117085.4	14673121.76	14925758.66
1872050	9177891.545	2406408.536	2499145.18	1583123.451	2292385.656	1489206.973	23723943.1	35350758.76	2586611.109	1261986.776	1416142.497	948810.5759	10300548.58	8857374.595	7905416.181	933116.4346	1015777.911	464114.3873	19432267.97	26281423.83	17221446.91	18595223.02	3208536.647	2150685.043	3065452.447	1482149.148	2634154.996	1348376.161	3861185.117	4266746.226	15775534.36	18884096.63	2585287.332	1337952.243	2585389.49	1521185.145	5095531.372	3344404.873	2009907.559	1443449.945	1898521.276	1549429.909	22043388.37	24131747.75	1177809.823	743768.9667	1141489.642	1345235.415	1252307.004	759265.1931	3403967.78	2911824.519	19611010.36	18974005.6	7680171.851	895142.6518	2717739.466	2217669.649	1322952.877	487191.922	2278918.934	751327.3646	25533510.22	34856359	4915820.781	3501810.411	4702543.532	5329927.659	1093080.182	612683.3627	8102862.161	5614332.227	2246543.352	1644205.137	5117620.564	4084263.087	8922354.741	8245332.445	12171049.94	22269039.93	624735.4787	377866.1387	235811.5572	220896.3817	445255.7437	204957.2184	190895.8471	297464.1252	5850912.518	4939508.942	7928697.013	4491185.945	5570230.498	5724611.934	6209385.721	5733393.452
1,3,5-Heptatriene	7773335.202	3815464.922	7171990.545	5051912.402	8230605.951	6159289.832	4974926.143	5832479.841	4857663.99	2889736.278	4581282.81	4800308.635	8908994.212	6506242.405	4354117.034	3046239.499	6049223.589	4924177.113	18388913.5	12961946.03	8072402.38	5743172.274	7799263.69	5072104.734	5329161.318	3881168.37	4667140.807	2623856.458	16395742.23	11763600.35	4528811.708	3113782.901	3455204.656	2939740.542	8994627.63	6767927.593	4082315.958	3723373.772	8810885.253	3753516.136	4379247.451	3627824.01	8432939.165	6512129.865	6610842.267	4932086.24	9062697.248	6454478.271	4446248.486	3189175.796	10541709.61	6751590.104	5596403.975	3415010.753	4696522.507	3313224.333	5435905.852	3766213.209	5279029.897	3528451.631	10633849.13	7085519.831	8628613.122	6563336.873	33630903.02	25996847.57	21959706.8	17096037.35	2395999.579	1221311.825	3055015.367	2264016.008	4561861.69	3579585.291	7317935.611	5217092.671	10681896.06	6661046.191	16994734.12	14360718.05	292145.3639	290282.0685	257243.6637	339218.9479	345420.4502	281393.3559	358652.0912	351972.9855	4792402.918	5195430.596	4728590.226	4698250.928	4957475.742	4629267.387	4853303.061	5080928.096
N-8-Nonenoylglycine	465966.6392	290403.5537	1062445.198	1196226.525	747804.2656	608981.7277	29960977.06	21247330.89	1267295.601	953064.5973	554428.4528	706983.1581	16968418.44	12235435.8	474077.7745	510841.5331	478960.8221	526732.8235	25359951.73	17045486.36	15835395.62	11453528.24	601626.4426	538495.9606	1301266.187	832447.1211	1282033.954	993405.7761	1460653.456	1230163.96	19196816.06	11013660.22	482567.18	732391.4218	994272.5389	824125.1889	1200914.104	969280.3931	945603.9132	715490.4818	895418.5669	702055.5165	20825569	13571811.29	777102.6489	932446.6084	1021341.412	521558.4559	1014858.376	388588.5731	781567.5241	762478.6101	16233407.11	10843856.73	1010600.368	1059853.764	988382.573	1033807.361	298208.103	298069.7783	327152.2774	618013.604	31225163.46	20530620.5	627812.2648	650115.5022	3402963.576	2567310.667	614269.0119	430254.864	2245652.644	1392175.092	933802.6108	903841.465	7874778.903	6755683.656	9962885.267	6222074.369	22273206.12	18101381.4	1207601.405	574545.1348	611801.4545	513838.4622	504550.6398	888541.963	650344.5535	895925.7154	3750336.069	3627372.086	3369436.228	3445540.047	3630843.879	3337812.393	3738717.432	3725250.129
Bilirubin	15565970.03	6853512.106	24723813.32	19175450.22	18447282.29	16079949.06	10024512.66	9000275.457	13017328.83	11481675.09	17913509.08	8250022.78	7444533.925	7839256.259	30316470.7	17764091.37	44864828.32	36827286.38	10982269.37	6786840.441	6163977.831	4521552.571	7934502.871	5462757.149	18095027.94	14663379.75	11377869.87	8688080.925	8030512.062	6823155.075	9231993.494	5410886.028	12550172.4	14078909.71	11621716.9	8292981.257	30018465.63	28027094.74	11929811.83	6149988.094	17632147.34	15492117.22	9668781.362	6136038.864	17063118.96	15213337.54	16239864.97	17456969.03	19222330.07	14922002.52	21532286.3	13600781.38	9481306.136	2549775.401	21210739.88	18199510.43	16378495.61	10876205.01	26616469.32	21870414.34	4957111.328	3759595.648	8802659.823	8928317.63	7488646.136	7955083.928	6825419.961	4264480.062	10513303.36	8530540.18	7362309.662	8130420.519	13911017.94	11429651.55	12736645.19	11825596.75	13351511.36	9366126.993	17144610.53	21329036.61	78811.51682	81626.56045	100388.4132	122751.92	155202.4899	197655.4195	303393.0808	431458.4092	5901349.71	6207959.016	7406995.359	8781860.797	6744241.254	6195489.114	5528369.15	5537807.581
3618	9394960.376	4264558.875	8561976.446	5872110.199	9516114.444	7159561.278	8333643.091	6743853.155	8134385.929	4669274.124	7516400.469	5535853.442	11251854.77	8412336.467	6901624.578	4636237.264	7295972.973	5794316.396	19963669.42	11733020.16	9081837.503	5780928.582	7754434.772	5432367.503	6719900.353	4805826.078	6165549.528	3390263.217	16940839.44	13263649.09	5732594.126	3313710.849	7080422.431	4421471.424	10144670.48	8020705.135	6229328.574	4888060.092	10085899.8	4744066.227	6463553.314	5280311.568	9850064.68	6726810.974	7808479.717	6044092.947	9653600.176	7175803.845	6393143.978	4527872.177	12041383.82	9231961.338	7384707.983	6198973.044	6512143.772	5604232.632	7103338.35	5262579.55	7757265.403	4651947.735	10343827.47	7028088.066	10595522.43	8109408.835	32360953.47	25387147.84	23460029.88	19292852.28	4316503.438	2182463.125	4690330.234	3556715.69	6280928.205	4672285.016	8304264.405	5923137.103	10852313.55	6929945.221	18993714.45	16011241.31	336711.2016	316127.2143	368952.2269	425542.1594	469813.2862	500088.6866	521192.808	628028.5791	6278589.389	6429278.991	6913804.406	6207817.05	6622481.285	6187502.408	5995714.138	6871106.85
1,2,3,4-Tetramethyl-1,3-cyclopentadiene	21490348.79	9109389.503	23807086.96	17185406.65	22569452.04	15815462.48	32146624.04	21103234.22	18073967.12	11430882.57	17579544.23	15667344.06	29859451.83	22296808.16	13707794.07	9901970.831	21378527.76	16871330.85	35032161.59	21050734.03	17842185.28	9598049.797	11756965.12	7228687.652	11425289.38	6877671.753	11527068.22	6084733.871	13533008.83	10074778.03	16549242.74	9356271.632	8394218.622	7084235.534	10793976.03	7454702.909	11337830.46	8966441.306	15981103.43	6683796.088	15734380.83	12311925.89	28282993.12	13475327.24	21876787.9	16087460.05	20965425.32	17294320.57	15548284.34	11903748.34	22265874.41	18641558.15	20447849.73	16618437.04	20657769.58	16404133.38	20605092.88	12274633.52	19179187.39	12182167.71	8886912.359	5867738.727	20636334.35	15418319.9	20561470.37	15497137.65	32008135.13	24081784.36	6065193.533	3973765.001	9409389.029	6030624.69	13962245.64	10497557.49	13730251.25	9247353.02	15539470.24	8955672.499	34278822.78	25893270.61	1333992.015	1413590.786	1428879.286	1484789.441	1670853.064	1377366.826	1511859.983	1795997.913	12634036.14	13403281.71	13538603.09	13141578.99	14138091.94	12237272.68	12696589.99	13479537.02
(4E)-2-Amino-3-oxo-4-nonenoic acid	20843561.5	11752547.06	13674589.34	12237883.49	27848958.06	16738703.69	20819589.91	17549144.66	17356151.95	9734712.477	15417489.44	10825568.18	17660650.46	13043234.61	15522911.05	11755096.43	16940689.29	12908574.03	16533097.41	12966992.65	7691209.963	4932074.132	11138408.66	7388678.282	4000698.313	2216396.252	4778928.023	2041087.66	10707220.15	6055765.976	6180124.942	4391834.889	4771129.238	3868705.878	4395489.898	3435797.64	3938630.959	3270533.813	11922963.42	6132705.161	16336556.72	12127533.4	21261865.14	12709274.41	22446408.12	15283655.97	21176608.79	20494261.68	15367356.82	11201617.39	16831695.69	12149306.3	16733030.43	10823756.24	20503856.44	12996134.83	15559768.82	9603261.148	17387917.53	11439657.32	2777967.123	2116855.888	5395956.324	5025275.991	5557386.774	5200870.578	31946468.6	20794238.35	5082393.585	2858100.845	2902766.91	2257439.115	8134931.642	4859107.274	13953360.76	7217923.536	4658622.943	2569017.593	5170023.213	3568569.935	1138219.912	1213203.332	1403748.133	1207790.445	1153967.39	1054874.855	1097278.052	1223100.595	10791846.11	14593507.29	12232277.48	11491624.21	11103965.51	13270612.04	11476966.9	12657027.16
PHENYLBUTYRIC ACID	21205063.45	11327094.53	13909083.07	10850749.17	21606386.25	15861212.04	15505214.91	9812549.815	10897720	6942132.328	11940374.87	9436623.539	10447499.92	8489197.618	10004138.53	7340914.789	10249721.16	8121797.553	18708437.09	13797214.44	9133759.801	5660653.797	10123247.76	7035017.423	5870519.884	3909885.935	5109989.787	3706536.086	6557159.389	5071477.78	9675997.715	5369097.848	8976943.426	7689781.447	6347342.525	5397513.813	5966531.737	4756713.228	17358315.58	7641199.373	11407134.83	9151189.118	22569415.73	14327822.12	23869634.98	15746965.76	28083467.11	21037789.79	11146427.94	8493804.153	13964181.05	10361364.38	13223140.8	11169476.28	12581208.95	9748716.169	12319043.44	7852513.955	21678020.97	14122967.14	5121338.554	3734559.779	7621755.875	5749276.779	9375542.669	5981268.11	31914091.27	24548661.48	7465091.625	3691152.122	5766019.623	3985163.859	10870615.27	8085245.708	15432915.63	10659979.59	4805269.044	2791198.434	7432582.184	6838515.393	351620.6956	1458602.362	1343190.473	380890.3198	522296.6911	466663.1999	557116.5165	596193.5939	11668322.1	11556044.68	11590286.9	10844966.62	12247921.98	11250284.44	11065521.65	12064647.98
17a-Methyl-androstan-3-hydroxyimine-17ß-ol	1846366.076	569480.6527	2506053.875	1845125.829	6934666.26	4875192.909	21257428.61	17815878.25	7077248.088	3801776.876	3132858.074	2470993.64	31170010.33	29566923.68	1058619.568	779854.5515	3752635.682	2645010.777	6929885.292	5183481.07	8307096.999	6349088.204	334593.0384	370038.0935	15566867.93	11443975.08	23434206.25	15244620.34	5505038.115	4160263.517	12036542.86	7052819.901	8331305.791	5555373.297	485492.4295	480431.9121	12490631.62	10672818.23	3155406.831	1408011.837	2506615.387	1630206.18	11062790.95	4726228.443	2079209.123	1373053.002	2905154.084	2061713.889	1520318.351	1022155.753	6128087.882	4338847.465	12018412.51	8205414.37	2457707.864	1250666.333	1832789.88	475377.8131	2098798.243	1296920.179	367410.5064	363404.7195	21901810.02	18572172.69	631879.0496	830928.1247	5964469.548	5139038.507	566806.863	220890.5357	9617333.196	6955237.195	4828176.455	7817918.597	5412094.669	3599834.72	9597876.509	8225148.845	42588509.44	35873050.55	180833.6066	83227.53587	161116.3461	175017.3487	229655.5365	206322.6221	201962.2733	185968.4762	2327850.047	2393485.846	2773524.51	2568277.597	2012341.88	2184068.269	2945093.224	2252790.532
Prolylleucine	21278673.3	7386312.317	18715323.37	13176414.82	23577348.38	12219161.18	5828341.101	3210162.298	15900228.04	6479618.284	19921199.08	12172592.58	12808384.7	9845893.407	20713329.73	14020250.82	18335466.66	16432432.49	15069559.71	8522654.446	20817605.69	10273189.79	21169194.02	14647361.54	34703648.87	19091092.76	19671075.79	9487936.009	24511788.58	21058148.3	17935925.49	9380746.73	17701500.72	10454198.55	17673977.08	14062620.84	27091202.2	20006106.09	12582701.87	6394498.733	26227141.44	19905273.91	18737537.75	9175823.013	22499181.22	20762464.71	22429863.23	5631057.384	21612134.95	15333873.19	16432307.91	13395388.72	9914160.156	9693344.957	21660257.19	15884955.64	12670993.17	9693626.169	19212770.8	11554060.29	24100188.98	13284376.1	26143238.35	20406364.88	24506153.32	15639087.51	6862256.715	17540234.25	15969914.06	8316507.943	20429763.4	11696477.24	20010865.39	14866273.23	24707972.54	14787416.57	16300886.07	9635255.161	20706686.75	17699375.35	43882.1669	79259.82979	95154.2547	162046.525	164484.9059	154158.534	383670.5647	224271.3664	19455839.78	17276789.82	16488663.67	15291075.45	15159599.21	18338618.23	17874288.54	18729863.12
(6S,7R)-2-Azaspiro[5.5]undecan-7-ol	1803425.606	1049597.179	1855416.215	1715672.919	1787744.277	1153928.187	6846678.665	2614387.306	1630965.791	1080775.754	2050257.854	1113618.207	6916627.461	5129093.605	964261.8655	1154125.94	1953590.591	2023371.986	14688134.57	9329927.152	6660686.234	3615965.649	5319857.692	3538234.437	4915034.138	3494727.137	3928416.607	2650932.161	16942261.84	12436078.83	4694512.162	1326676.853	2576104.947	1741810.714	8684520.199	6017973.617	4722756.555	2274253.924	6086421.889	2535575.626	1548284.515	1167749.552	4434452.491	1395334.743	873690.3968	757338.6036	576480.8307	729714.7035	765843.5695	573623.9151	5915227.009	4358777.442	2943692.192	2321550.154	1527760.626	994333.7467	1241061.764	1672880.613	864169.7559	553929.631	9841803.303	6561183.603	10420148.33	5906494.427	30450322.09	24476362.79	15876731.37	12150998.77	362990.6025	679831.8756	2926693.461	1675218.232	3512685.93	1367030.565	5197721.377	3444227.026	11111591.2	6941651.001	19237001.84	16683763.76	122979.2076	117020.1634	131807.7721	144950.5815	162212.9594	174511.8066	211130.112	236613.1853	2366337.006	2116669.423	2249800.009	1488349.38	2177120.863	1603601.823	2745703.715	2197419.249
2,2,6,6-Tetramethyl-4-piperidinol	30396403.68	12208029.06	28171787.89	14394248.03	21813813.96	14469694.16	22819833.38	14636855.89	20473181.53	11977913.23	29199636.51	19882619.44	19317103.12	12027105.49	26057146	17801257.13	27588074.06	22566619.84	31971138.01	17392921.71	18948626.84	8861919.156	27670877.9	11940908.64	15061657.87	7006843.668	15194914.87	7515820.133	11664887.75	10337706.93	17521150.37	12665545.31	32030941.74	21622651.7	25261067.22	18060066.34	16106548.31	11526628.64	22584971.8	9676867.004	29550094.59	20525656.74	29706945.95	16454792.01	19923454.72	13133085.31	20821683.48	15125795.9	19407769.4	12277727.33	33727326.61	21843446.94	26135783.57	15972985.06	30673652.91	21975431.33	26410527.69	14915379.71	32138943.26	17023443.78	23868090.09	13933930.74	17126688.95	14106655.51	19578308.91	18465366.72	25082771.26	18932963.23	13293527.39	7600217.824	19884428.61	10298087.15	22814822.15	15393097.28	26356406.45	12184181.28	22945261.51	10716135.07	17097785.08	10389719.64	6806448.378	5678734.515	5489012.226	5282020.276	5596751.521	5240002.139	5543252.443	6052378.442	13855765.58	12192362.42	14682985.53	14578259.64	13285544.65	13617278.2	12827777.11	14086452.9
Ketamine	380023.7924	1052941.111	220658.784	279099.4743	211758.6036	229123.4354	211353.8873	160893.7582	1842668.49	4032851.41	231087.6623	201138.6839	177380.6057	174819.1711	173023.7796	161815.5306	213605.5416	261519.2047	194986.8394	169988.2328	194794.4519	557967.0773	203107.4561	174058.2161	185447.5036	174814.2111	351162.3548	1073346.154	4959521.14	7777063.255	210244.606	182266.2455	5671170.038	9634247.549	296450.0913	415809.4691	483397.2751	784071.337	194197.6404	134890.1693	240473.2971	201969.6987	224411.1756	166372.9152	210440.8767	213972.5686	229643.507	154597.9149	198250.831	341896.1646	248111.0493	204703.7023	17569281.01	32190842.15	209709.0293	210708.0027	212001.0909	177165.354	196536.3198	144405.1786	1505594.759	3800192.268	234779.1751	307870.334	395456.8891	1209611.382	900716.7256	1462256.453	174376.1169	128123.5421	186982.3701	258072.7459	205531.9957	171830.022	211514.577	170021.3254	152378.2163	142701.8392	7234740.06	10301169.72	42740.72055	40489.85334	38185.43227	36614.20127	35428.26172	32384.26807	36473.9016	37118.19246	2231504.749	2473363.89	1951423.067	2297391.657	2350381.478	2688231.306	2282611.08	2028803.93
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate	7265175.415	3272225.893	2175096.092	1352496.618	798414.3822	462601.1835	329039.2157	291893.6519	779645.4061	476225.6499	3124762.258	1739483.62	724725.1013	566249.0339	268004.2843	241452.4378	410373.1966	382275.0384	4482482.875	3528753.761	3398374	1890895.234	4147771.492	3103807.963	910159.5133	659173.9234	419719.3919	357597.7464	1343335.707	861255.8367	259151.0086	298490.0882	651698.594	574626.7063	3163120.887	2606769.676	482210.5031	370842.3856	7796278.573	3446648.057	1009984.031	776220.5171	1000246.63	714033.6926	1102167.768	1019299.522	541757.1377	686375.3572	467347.3985	285945.6043	2364989.267	1762302.779	347010.5282	399620.7642	394003.6196	423451.6825	614883.7358	416505.4511	341500.6777	333408.5879	20610586.76	13297945.03	561394.2961	361018.6886	8880910.65	7398422.902	5505997.026	2828847.046	281457.9302	196286.7929	318537.3956	223504.7337	317304.6156	250024.8601	992026.298	792327.5993	1415725.154	1019082.019	4178735.102	4242776.769	61768.17283	154768.0759	82417.03808	167311.4627	124986.2538	155366.2135	227230.7136	311361.4309	1116147.764	1182481.443	1323188.852	1661759.703	1848668.003	818790.1773	1058295.388	1023619.026
Nitrosoheptamethyleneimine	6835643.756	1953725.311	19617740.82	12941706.63	6218657.036	4519357.809	5099358.777	3033779.821	5122748.398	2884228.924	4733053.783	2984575.641	3807326.396	2642126.368	4942281.158	2978463.609	12665796.25	12382089.34	4840773.978	2102305.015	3963530.629	2015045.052	13649572.87	7572579.522	30367767.73	15161293.14	3925769.486	1736763.337	7123829.871	4763441.542	6084273.099	2791787.017	3214762.401	1498414.348	5106465.84	3219855.306	15278281.54	15689136.75	2620333.034	648555.0217	31074920.96	19856305.55	6619754.467	4244199.25	4754040.471	3173454.656	7054911.042	5286858.57	9193069.964	6335313.309	5343716.619	3523042.724	3914506.706	1877456.122	14598997.57	12286257.95	5922547.851	3266079.134	3293389.115	1599787.51	19588102.09	12386635.42	11644801.81	7392884.701	8559331.73	5683954.464	12930198.28	7197527.558	4622888.088	2337036.49	20645548.13	9780760.858	5719151.522	3243979.386	6055641.796	4190355.843	4342567.462	2036261.133	5559861.712	3730938.956	87406.75485	174218.7548	72591.76672	68870.44508	229613.148	59756.89606	61504.25127	62513.72276	6238910.697	4774791.5	5548791.009	5190953.266	5198109.975	5353161.626	5431406.505	5894977.459
2-Acetyl-4-methylpyridine	14893117.51	3445924.63	10627026.91	6107446.364	15318832.49	9278515.35	6887538.215	3654331.144	13923208.64	6927520.088	6671934.068	6111904.063	14526290.51	10817409.02	16794772.13	6626328.208	20092578.52	15880818.42	18711476.78	7056846.566	18154020.13	7195795.989	14112490.85	8104544.629	18488045.93	8877150.634	17410213.4	7810189.141	15173538.22	9604002.338	8458919.744	3925443.537	15802549.17	9507207.432	11719644.32	8801588.535	17077580.58	13123459.42	18237287.87	5655015.9	13966699.82	11218650.79	12972487.23	5460104.55	22424343.48	14623736.55	19681486.83	14776163.67	24530176.61	12026276.33	12928388.05	7549440.214	10767281.08	7976598.69	15634670.79	12175878.34	20394512.49	12165709.53	20863306.19	9745564.442	16635596.35	7671395.041	15871701.6	9862930.55	22102448.42	13156191.68	11965249.36	9666938.252	16097792.68	8160845.983	14206817.98	8098785.822	12850366.87	9828594.005	31334365.31	20125971.21	17218402.99	9220473.295	22543446.87	17718375.67	36945.21747	155523.9315	133618.2736	30345.34444	29545.28935	103750.3419	29825.99279	30832.44003	24498003.76	21404552.34	20431869.12	23159259.11	21102524.27	25448979.89	25618118.58	19441993.11
DL-Homoserine	2657969.123	1163960.882	2394565.902	2626793.553	3296576.475	3422552.805	2546361.647	1681132.599	2649199.801	2316406.561	2342889.253	1939676.966	3077184.88	3326226.923	3813444.219	4557974.902	4546151.032	4345817.74	4091207.998	3496693.562	1997558.238	1605725.569	3062010.795	2321806.377	3432191.159	2922377.822	2484648.251	1956492.6	2275405.61	2654951.561	2446043.017	1771785.609	2914621.851	2313694.405	1781465.436	1857812.917	3802006.634	3000532.271	3995150.375	2292101.119	2189263.97	2486591.495	2297350.58	1873985.731	3543106.887	3692364.664	4308268.022	6023991.221	3184200.45	3696319.388	2020004.814	2023131.284	2782046.474	2304215.741	3316054.45	4002997.757	3548002.319	4175652.055	2795363.168	2345306.975	8197394.329	6347411.774	2429853.254	2165766.174	1855276.597	1948180.248	2257578.383	2391876.867	2460285.956	1890924.269	2587208.735	2150342.547	3194034.102	3701306.894	3879108.811	3703466.312	4060737.204	3181996.602	5431095.659	5690524.047	57150.91207	34088.92184	52362.31733	36421.81032	40726.0399	44116.59588	49284.72746	53680.77446	18048659.32	17928823.09	26088540.33	13697375.27	22701980.02	12114429.77	22132767.47	20138890.17
2560	22674820.08	11624995.72	21068342.37	15454245.42	20513390.65	14640686.37	19238004.26	14195649.99	17458058.81	11288027.01	16844791.88	11964977.53	21870939.37	15843924.05	17242162.17	10938341.31	14837675.28	11867203.64	26062995.09	17120642.26	12594264.15	7973043.485	10887358.22	7703241.31	9210995.008	5832267.611	7889761.011	4256913.061	13408539.14	10059635.88	10595237.73	6126279.602	8350701.785	6518999.651	8598681.042	7313084.818	11520208.03	9043646.875	12031147.18	5766709.595	15815894.99	13758311.46	22415773.26	13247774.93	19609656.98	13567417.09	20842504.49	16906448.84	17668946.2	11859837.95	20051026.24	16773458.33	17399241.53	12116964.26	17113241.65	13850583.31	18948172.71	12001418.02	16797695.9	11382601.91	11452242.54	8599566.709	18215778.74	13030002.4	25339388.69	21446959.39	29040028.45	21331182.95	6116720.203	3927532.179	13046175.71	8984841.592	10375193.43	7097324.343	12003261.23	9494979.077	10761854.84	6427363.413	20449510.51	19000165.76	1902441.264	2607075.879	2649566.663	3048159.614	3004213.389	2672385.047	2616170.229	2916534.865	14555589.93	14449958.72	14748533.43	14090820.19	14931838.82	13382653.13	14017233	15488051.04
Tegaserod	23176118.54	8400368.412	25682681.99	17559278.52	20537854.15	15932450.93	20059660.24	12735514.79	22601447.94	10104895.11	25786332.87	16021242.37	16202170.07	13244055.09	20672611.68	12859475.65	17499693.15	20329835.97	21798170.06	14526530.28	8314588.766	3529444.635	5353493.332	3058253.818	6107725.301	2784187.198	7155879.002	3003673.186	5045136.239	3320283.345	7296022.037	3197850.271	8704588.869	4402919.823	5845869.421	3619661.205	5610911.725	4183815.144	4891196.038	1685289.395	24215109.89	20929123.93	27911951.6	15629503.66	25411155.44	12741991.39	18342368.22	16289559.47	19989804.18	14346713.58	30721391.36	19792996.31	25613085.61	16092442.19	29544684.56	17419142.79	23433905.53	14593689.57	22487000.77	11479827.71	6151477.431	3321168.147	6737949.413	4407614.008	6011509.892	4051426.944	7975400.94	4336973.944	7240248.641	2745984.04	5802395.125	3116482.558	5496275.99	3520360.683	5729027.047	3354519.773	7372887.462	2561044.922	5509192.233	4559436.097	2320766.846	1944528.659	1712566.83	2003210.039	1632623.543	1713333.232	1646289.288	1630361.79	11818983.09	14260934.87	15944775.88	16135245.84	10496433.66	14504153.46	13719245.64	13645528.99
epi-jasmonic acid	18805475.48	9211160.87	12947208.35	8895528.673	19533691.62	13102039.09	10558717.8	7878260.997	10560251.83	6705308.042	9303095.2	6580742.487	9752347.628	6790917.561	9240858.488	6511549.889	9704378.938	7698264.922	14882726.39	9395292.48	6832093.752	4002387.021	7309240.389	4749438.614	3914950.941	2104899.812	3620086.687	2403070.454	4048517.393	3355297.798	6298871.079	4414405.006	5116216.888	3928683.525	4409805.326	3611918.4	3315824.111	2446529.817	11167038.78	5985984.969	7742203.146	6883394.521	14388454.2	8775641.226	17505650.43	12746531.77	21009474.58	12370144.32	9226927.949	7409616.655	10944579.56	8884424.099	7393602.581	5356810.827	10810524.57	8225701.866	10387450.27	6307949.331	15797072.92	9866589.166	3678942.438	2168037	4623740.454	3191421.362	6027130.794	3956958.067	28987577.26	24660778.58	4598718.021	2729470.597	3321103.95	2061511.753	6956872.042	5339952.506	9714512.257	6492945.024	2938394.7	1594302.659	4239623.526	4126791.903	621330.6832	685108.8933	554080.8417	705225.4943	707737.4689	533186.5467	611956.2361	738155.1764	8671683.723	9344989.846	10084789.61	9123305.272	9537150.362	8997667.658	8543391.066	9623182.316
ML-236C	556398.3245	7381648.01	2716387.529	1417805.846	10060563.48	11446663.91	17149170.55	13086743.26	4123121.207	4529437.534	10007488.77	3667650.406	9646965.901	9173321.763	3337028.109	1489710.34	245405.2771	487768.6193	6730028.67	7960989.772	5624070.007	3208982.505	23151631.32	19363095.12	1009440.137	829200.3299	5562465.835	2577493.549	19661540.07	12020122.3	8437035.65	8124221.771	1004569.472	389649.0336	6723754.2	2819986.963	702725.1887	796161.7844	4664632.246	2058098.682	383987.2773	1966510.89	17152462.97	16223851.8	320809.3592	966309.3343	15884619.74	31594379.87	3350153.076	1523432.388	15388593.04	3132245.289	9217015.045	6149085.79	217398.1444	372613.8822	3682756.454	2020903.372	4222372.814	477361.7022	147113.7397	834916.097	200731.8243	2270214.46	9945902.36	3465192.672	8772648.834	4202270.971	4909717.963	6514721.726	1161935.28	415590.3425	3168417.705	1258440.179	3419436.104	1297956.232	4350818.073	3984604.524	4376641.4	3350435.117	215200.6321	47836.00672	721847.8106	99405.56211	32557.21856	89538.5262	88847.05067	399340.6757	292213.1493	4708813.896	4030128.694	2887469.205	3304099.712	3020957.082	3099319.857	2366859.375
4-Vinylcyclohexene	23067251.33	11372968.84	17597373.83	12513051.1	19915510.09	13146524.72	22728452.35	16369279.18	14860754.39	10100886.85	18137594.76	12452024.42	22296261.4	14561604.18	14148935.54	10490560.51	15159324.16	12053478.72	27789476.6	12202550.49	17970108.37	10472980.55	11503925.5	8002697.364	10273226.12	6430233.441	8684423.994	4978056.658	13753982.92	11207318.64	14133742.32	8896385.735	9122986.76	8202153.283	8814023.362	7969207.522	10794004.45	7932266.766	14380222.15	6868100.605	14733600.64	12158518.23	23187309.11	15498771.87	19220378	14534395.89	19927009.45	15792807.96	12893831.57	10876925.56	19966568.67	15690920.48	18431538.65	13612558.08	17408076.49	13272040.84	17434073.17	11374457.91	14577036.63	10343741.19	11894460.75	7696025.148	19138558.45	13232946.55	24438899.97	21030878.38	28631808.45	23027796.57	7173297.396	5077950.159	14322683.44	12652929.15	9993289.864	8396270.63	12907769.18	9273337.086	12316932.89	7994519.453	20108033.47	16541811.52	3236640.848	4352920.193	4765792.051	5112663.688	5233781.131	4219007.834	4310653.322	4783825.717	13922130.75	15424333.88	16776701.45	16130912.09	16543972.34	15354947.36	14856662.13	15005469.87
4-(2-Aminopropoxy)-3,5-dimethylphenol	1353686.977	280484.9772	1238418.466	426674.6239	1815023.728	485339.2913	24422858.62	15088648.65	2018086.035	576578.9032	1316384.39	343274.648	14281117.42	9978717.947	886346.99	537738.9633	930066.9206	689967.951	27132282.19	17283599.92	13409469.86	5348252.211	1472472.355	531674.7914	2986445.371	280251.2688	1516705.825	327184.2451	2543209.251	625630.2144	17428150.16	5334144.336	807770.1469	565159.6477	2174517.009	1266025.678	5822341.165	4504642.323	1419051.883	256063.8182	824745.983	277954.3368	21484080.35	13441440.29	1731569.468	478499.2989	2104784.954	1053208.789	725466.2976	587919.6468	1602505.737	886936.5822	15337994.05	9005099.987	969643.7313	615754.0215	947013.7059	612591.2607	746466.4568	570275.6244	814631.9079	599338.5834	24363087.76	17458637.9	4019951.44	2522937.013	3705727.544	2933740.511	975708.0385	501989.4903	8290034.168	3395264.889	1185808.264	645391.1839	6447447.725	2675325.525	10471733.23	2841287.083	17409677.25	13484376.96	744751.9923	685691.4774	269373.4021	545412.0713	215654.1172	529101.6115	517846.9076	574750.0209	3628867.204	3633092.164	3392247.289	3819884.423	3684817.771	3302559.215	3758357.693	3604981.791
2-(2-Furyl)piperidine	605147.5073	347590.6663	150113.8551	119320.4044	378397.433	218789.8598	15915699.37	15050793.51	596413.7936	88551.81639	206173.1258	396502.2881	6986661.972	5352881.546	261788.3222	171720.8216	87273.6631	38174.12836	27008148.74	22204810.71	16115381.04	15960414.82	409389.2831	95361.57435	934193.872	245535.1218	462860.1173	180662.8288	674850.7407	418711.1345	21372821.26	14835180.43	101542.0623	117970.0543	214991.8158	265979.5857	2114261.989	1685720.404	383807.7204	220207.0588	69568.17281	166991.8344	20656998.61	18702981.58	230825.0086	101103.1425	164231.0498	304476.9061	116302.905	30897.94879	293427.5627	189686.2757	18002861.03	16905166.43	65187.39024	86797.9437	97557.75903	69777.37026	113544.8132	39291.23981	95704.95992	292392.5899	30615073.71	27970332.36	98746.73685	28109.60999	1687782.493	1466556.217	499889.0168	59759.754	6365427.807	56700.00855	411885.3483	362181.2723	1690358.599	1839974.05	9275744.149	7326666.139	10640946.28	9268188.586	177866.4227	41889.18107	151727.7468	161664.5007	19135.30498	126647.6615	60246.35246	25721.82835	3443366.475	3808812.978	3569491.501	3413814.753	3889178.751	3159512.85	3510281.868	3770909.585
Dibenzylamine	25874653.74	16626035.14	853873.0238	1343085.791	1827162.929	2412919.639	4708032.125	3722816.326	14698918.64	13307717.36	989353.9524	1251107.902	7292402.872	6529251.861	3948302.764	3698097.548	469849.4572	662184.6505	2986997.241	2591971.223	12010839.62	10706875.96	5555954.176	5322916.175	2983279.851	2436482.223	6105215.15	5534298.48	5156154.092	4289373.194	1902854.544	1766545.33	624337.3348	806631.0676	1401993.671	1026211.479	1085205.09	726514.0499	2346841.758	1740552.61	977059.5526	1237581.896	2090544.992	1579039.035	4813030.475	4826064.643	1810896.837	2837129.543	7652288.027	7511923.267	1690848.407	1520208.587	1881103.536	2128376.437	627865.9774	850907.2948	2810920.28	3624447.208	1888218.963	2467151.651	3440970.222	2859621.883	6186937.878	5731103.358	3394907.905	2966447.827	2015802.12	1894657.918	22770560.76	18449227.16	1653295.046	1925318.699	492825.2398	717978.3724	3630234.673	2510263.949	4673189.514	3359213.947	3617864.85	3592355.883	89633.61193	120506.0981	85558.43668	88162.78028	103543.193	92411.0291	106913.9589	107016.6998	4871416.804	5278678.196	4831823.808	4978992.629	5319954.378	4975065.669	4820601.785	5081225.206
L-Pyroglutamic acid	1430883.598	764187.9333	1002016.011	901008.3794	1390566.823	1837703.112	2624331.685	1859268.012	989695.6615	916003.2746	1462894.587	1296003.681	1069194.2	1277414.105	1572572.997	2216020.885	1165341.412	1369493.047	2042658.913	1516316.774	1004316.848	893888.7658	1294080.732	1102141.767	1264473.939	1423219.629	914699.8382	786697.8618	995787.9709	1002411.991	914655.5569	99719.62249	1101568.731	1096192.475	802107.8243	802538.6417	896782.8132	982059.6388	1514395.153	1026009.826	881313.993	968900.8772	758102.5311	557960.792	1535696.128	1949876.988	2155145.581	3191730.383	1091197.618	1299748.68	872187.4071	723555.272	866578.2303	755118.6522	1322766.018	1671678.21	1210922.321	1159085.424	1177395.103	942636.1539	6457135.362	6723910.041	1079928.853	1499309.001	712841.4131	640285.8171	1169099.686	1481389.869	1131109.991	963052.3742	809700.3285	740624.597	1553609.623	2137572.185	1209961.432	984328.6377	1510364.843	1379149.327	1585415.875	2376701.256	299235.0231	99393.78311	76261.72865	134892.2535	79899.12173	162378.9162	128300.1828	110985.7758	21324338.98	21758271.45	23498197.13	25756622.32	29246805.36	23356051.59	22489207.03	18436615.16
3,4-Methyleneazelaic acid	10956432.24	6386148.752	6664772.551	7212752.482	14695087.64	11321689.39	6740346.614	5045290.303	3923607.995	2605799.636	4329989.943	2789276.155	4077173.303	2776024.219	3716156.883	3014556.799	4038528.85	3333906.555	12758276.98	8653314.106	5011208.172	3055572.129	5239763.63	3589637.346	1961173.719	1295831.43	1404552.341	1036168.822	2530408.148	1580831.368	4319570.767	3624370.49	2484307.432	2293162.62	2578181.997	2517021.337	1202029.481	1380944.922	10364537.8	5175374.426	3561332.136	3472280.194	9787879.933	6908638.479	12852033.98	11021497.04	15782218.57	13265072.91	4529041.812	2928117.948	5751613.822	5439758.188	4120017.423	2635079.436	4660551.332	4177093.25	4350146.801	3277480.01	12652342.98	8660099.01	1785113.454	1547838.512	2109448.068	2232870.756	2851768.319	2816519.348	26899492.92	21410646.95	1990490.24	1545102.5	1455084.492	1159187.421	4684738.817	3806171.234	5974145.763	4950551.097	1371899.148	947024.6974	3166024.823	2861055.027	242104.7988	439780.2524	234828.384	252563.5967	715871.7746	301970.6779	349292.6278	356606.9687	5152203.924	4842868.769	5272099.895	5332386.078	4793900.859	4892701.266	4921761.054	5378137.059
2-Isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone	14224204.78	9538230.036	10005552.38	7356450.645	16675932.04	12185085	8277824.117	6457509.414	9018889.084	6017651.112	5969659.381	4091475.751	6532529.436	5080137.462	7450687.851	5385764.343	7727089.436	6677816.635	11778249.93	9445811.077	6392711.336	2777415.058	6007297.385	4712849.434	2491409.805	2034501.676	2161002.773	1369199.375	4481991.497	3217778.034	4461585.205	2713265.775	2240811.693	1936852.059	2911976.586	2396292.91	2221534.843	2430738.12	13311118.08	6468987.746	7417661.935	5219419.954	11210789.68	8126251.266	18068804.3	12552240.69	17950427.66	13918636.95	9629537.775	6922822.347	8066376.933	6447517.016	5777238.827	3539336.706	8387535.016	5953038.957	7447877.722	4727964.835	14535431.84	11051421.5	2532073.523	1716060.876	3108143.106	1572151.45	2569788.654	2704246.509	25424746.28	18193507.75	3485193.403	2202631.738	1476771.508	1050885.545	6234337.311	6336532.226	10935301.34	7320871.724	1650194.522	1112813.29	2736584.255	2305509.293	611263.0104	652321.5303	536487.3148	502192.8583	569344.4292	497495.5787	512164.8417	598201.3258	9257487.07	6990130.597	7318114.028	7936923.81	6761940.126	7576081.066	7928745.828	9242365.327
PEG n6	35074805.56	15678326.46	8221848.688	11030748.03	5537928.636	7000429.213	15616481.14	13873104.35	9905944.795	8389484.654	6143440.678	8873923.415	4036947.114	6365563.874	2232869.016	3325134.892	2618123.776	4772799.914	6947926.79	7065051.671	14798041.12	12755476.95	17339282.25	15750348.77	4473239.975	5416022.946	6805202.346	6587784.596	6097433.192	6631652.041	5721886.015	6032415.478	14597540.33	16969497	8553109.027	11172355.63	5611468.147	6638318.968	9499241.541	5135487.479	4835868.019	9807278.421	6134233.324	7028730.645	5969070.548	6635284.639	8052558.179	11843077.38	4689600.704	6331416.7	8173120.796	11314489.34	5502772.636	6605314.154	3041324.829	6602068.585	6272002.424	6236505.571	7906776.02	7973494.008	14492835.34	12737510.03	9715047.845	10563643.97	17251826.66	17761602.76	8324169.361	13602971.8	4643541.228	5496241.066	3226159.495	4275917.008	2867536.826	4690998.29	4205896.085	5445716.738	12770505.22	11519762.66	5507332.06	7360668.505	2775847.161	3210774.74	3117945.075	3285998.836	2873067.243	3143024.302	3334892.866	3361210.281	19493612.37	17436590.02	16417564.67	16395785.33	15867163.28	17104465.61	17527388.7	18514479.01
Alfuzosin	9621100.094	4545540.607	6086501.559	3292337.011	11251098.73	7676218.81	3095241.722	2405077.537	490944.8655	346993.5204	612574.7013	544535.5373	901816.6697	1231267.924	508277.1059	360326.0491	841212.617	616725.689	9562770.758	6378864.208	3359228.83	1967758.397	3600004.991	2198648.673	999816.9539	840253.5353	616233.2655	462665.5427	1451302.13	797261.7482	3542212.754	2028800.685	631221.6657	529814.7045	2417705.289	1566998.645	1083950.292	606659.9657	10503241.3	4821153.042	619407.2708	545589.2362	7689099.173	4615765.834	12000639.28	7914712.943	13729646.12	10647399.08	1360755.453	950816.1136	4140945.424	2629589.128	646766.6169	480016.5534	627406.4378	543672.8873	985340.8072	524126.7787	9559335.882	5958198.336	1838308.311	1454842.31	799313.6519	614965.3458	2432496.036	1679376.577	26077117.6	17447159.43	1275369.205	613875.4491	1035216.073	497203.3934	4039251.876	3033545.808	6637995.857	4404501.707	658681.522	528296.5803	2105954.812	1400542.097	210017.7613	167079.0528	167041.0794	182902.4651	194658.2411	210252.8063	241997.2045	257656.9418	4320752.161	3328590.997	3557924.453	4016689.666	3515523.45	3371085.268	3775970.138	4246100.135
Triethylamine	7785542.471	3521134.222	6188229.614	4095610.355	2607729.423	1901601.353	6459185.826	4475794.473	4298477.69	2654565.772	4037183.584	2205786.853	4125582.739	2831323.846	5003725.274	3509531.585	12063206.21	8863477.545	9045216.909	6672770.772	4912399.4	3143634.42	6022550.503	3725540.863	3116537.193	2363732.016	4797520.27	3273952.76	4793496.727	3084814.402	7028746.446	3922192.974	2696297.818	1678524.224	7107111.171	5362528.145	4743639.517	3179642.589	30312928.54	12582920.93	6447234.557	3990476.732	3926240.31	2156731.393	5406339.034	2969386.448	5041770.998	5128461.17	3141601.112	2188141.899	4517379.4	3094603.339	3874280.352	2465830.355	5278434.043	3928103.081	2251407.319	1759992.44	10538748.9	6116895.64	5261278.585	3561075.224	5990096.912	4236289.728	5210409.944	3385621.894	14337667.01	11746592.62	5169320.101	3186593.681	3230842.054	1826498.404	5106784.799	3192682.153	6386235.907	4407436.371	6901079.562	3983515.081	7318681.702	4597347.298	658265.9109	1035677.547	926435.3262	851088.9818	1033398.002	1222765.185	1276307.35	1493461.963	2216867.996	1745870.648	1562373.031	1088240.633	1829866.748	1930207.096	1576002.194	2207515.503
Oleoylethanolamide	2609226.563	1046044.114	4201081.757	2759872.464	6262902.357	4002697.295	19275110.99	13120902.06	3492179.293	2162839.785	3446125.683	2008200.407	16137319.49	11903845.35	2421362.567	1509351.422	2913851.963	2719485.522	13941660.82	8497783.754	13412557.77	7776731.662	3352523.412	2597804.379	9038556.584	5373033.414	9566083.238	5732888.449	8268676.082	6363619.174	9801777.399	4927898.777	5470969.839	4302973.856	3516068.364	2844423.5	5331042.839	4371769.553	5521254.212	2205746.766	4202186.833	3297108.886	11512537.74	5643611.487	2503121.119	1940218.521	2827147.426	2384682.849	1866418.08	1316586.201	7190156.409	5044036.443	7581782.119	4572321.955	4119305.396	3305084.258	4613344.383	2547661.941	2810246.699	1676448.299	4486969.587	2884585.578	19103863.56	12203306.9	7468424.035	6119035.56	11250226.43	8248988.47	1997383.615	1184406.653	6254862.521	3736992.415	5986266.902	3643272.653	4048277.638	2971649.113	12315607.86	6791526.473	36747020.02	29492960.25	195874.6902	264342.3374	316601.1922	319150.9067	363308.8124	363008.4323	445492.171	509582.2801	3507002.609	3135486.757	3055503.991	3159174.868	3352016.485	3252497.878	3131408.892	3511135.559
3-Methyl-1-phenyl-2-butene	4717866.711	2275166.282	4846742.26	3170756.853	4496885.917	3078545.53	4614482.075	3272415.161	3781289.371	1925860.297	3631873.379	3021189.941	6003893.225	4241059.687	3257894.407	2156563.587	4427482.049	3205618.386	12282383.59	7491365.935	5818295.108	3584565.87	5469293.406	3817683.461	4180862.578	2841061.504	4045262.547	2111289.661	12311718.52	9525421.201	3373211.655	2206618.278	4843076.414	2733185.604	7088887.781	5574046.16	4161726.489	3154780.884	6103307.86	2979427.668	3268487.053	2621505.931	5138128.808	2962540.106	3766037.686	3072553.524	4738764.146	3283481.677	2932143.154	2242292.173	7229112.557	5787924.972	3730588.653	3107396.341	3519052.626	2877616.446	3687168.608	2850439.275	3575309.552	2133104.652	7735270.605	4896803.979	6696877.43	5222565.247	24587796.28	19000741.64	14308604.15	11564842.21	2212570.488	1307526.929	3154059.62	2311913.573	4231456.211	3179268.81	4763280.394	3715780.167	7461286.92	4587019.109	12810710.46	10959542.34	180667.5283	160383.9974	181026.1494	162925.5088	212732.5901	241696.2217	231380.3189	257241.6731	3529820.041	3409774.031	3620627.772	3459133.743	3874156.126	3411723.819	3402873.639	3548947.698
Tranexamic acid	6081314.314	3092193.538	3826877.665	2637772.258	3908072.441	3134061.647	27288810.83	19847534.08	5957613.968	3445419.214	4910772.662	3730631.01	12987472.87	8912102.114	4402412.246	3285330.511	4334842.91	4150189.534	13914389.73	10099579.95	12163823.94	7441888.706	1398387.204	666571.6212	1446781.778	948440.9469	1085841.26	876798.0011	1379865.066	1282375.035	8169545.33	5337865.959	2064413.283	1500057.515	809265.0369	725072.628	1789746.727	1622282.736	2877564.401	1057512.261	4576436.849	3767236.292	12369341.37	7811378.981	3199890.029	2217971.176	3074980.242	2094219.86	4852721.7	3776103.657	4705110.09	3916105.461	13446756.05	8509845.41	5659817.938	4494492.956	5406014.262	3598580.929	3260827.91	2282479.042	454267.8575	563230.1528	15586601.6	10269374	901494.923	639201.6154	3736637.819	3064531.445	1007435.939	824119.5517	2315325.543	1631452.472	1066568.743	870911.3077	2570512.44	2258929.165	6990366.67	5069988.95	14599614.64	8850382.55	689807.083	728372.4906	730871.7384	658463.6147	692138.1917	67920.14522	73174.54601	77530.74464	4740229.476	5241878.343	5258723.707	5055639.006	5075285.739	4916930.631	5037810.492	4989013.343
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid	1529415.079	319833.5565	948061.2264	501410.9076	1177324.189	995537.5175	665723.1975	958211.1587	403412.7145	455373.3644	946828.7486	445577.6384	1163700.119	832875.0755	605665.3359	279652.7401	511838.669	473917.8313	607041.8549	432920.2742	817646.9248	416108.1196	733304.215	364933.0322	393841.796	303324.2513	468769.4584	351589.6103	451181.6408	432037.5496	584202.5122	436915.5092	25393152.18	23133732.09	500303.1479	411848.2787	469296.4548	354697.7666	8323900.351	2946353.472	917023.5306	742709.3912	843614.2529	687653.3405	1084266.738	366424.0879	996406.2269	405685.3597	608544.7977	643356.187	687099.9082	1083036.69	693620.86	390013.2317	504286.4788	436585.6194	722269.5649	504816.7334	627270.1284	796841.0097	579831.6447	456200.3549	659759.148	685348.5577	757819.0581	745303.8102	2122422.314	579889.885	320074.4761	351598.6332	453936.9657	365925.7689	472097.9665	400322.054	958354.2338	1093834.768	491213.3298	393558.0139	793012.1113	589459.7325	194309.0185	167766.6077	135158.0793	146347.966	156054.7207	161079.9092	188255.3449	200255.9097	1026950.647	880125.3892	1185346.711	1187218.087	1169871.888	974762.3229	962771.123	420191.4624
Butyl isothiocyanate	2943105.078	1235677.675	605984.1153	432077.4103	534070.1549	352202.9644	492846.8951	366042.4816	356613.6312	303629.5315	429776.7108	382154.8466	555999.2009	455346.7542	363287.2601	257632.5756	477326.9346	442570.0075	704312.0881	471255.1259	505611.9159	350745.9925	769165.7147	327929.1431	363317.8059	293218.024	440672.8406	333397.6128	432124.0061	414384.3645	447875.4689	358556.8328	502123.1819	368001.3335	594601.6293	389439.7482	386351.5599	338259.6334	1173063.477	696608.1837	432928.3059	381443.1003	440094.4061	345308.4794	416734.7693	339725.5046	426085.8746	359513.3688	560640.5251	279496.6409	608845.2631	461374.6475	661204.1244	337690.5758	505790.0181	384026.2281	457243.7124	371176.7403	405415.6441	568928.9579	22346697.91	14554231.92	559314.8258	522085.4043	681455.5378	729535.3953	1283248.76	1016327.18	553183.5427	217177.1087	399304.5415	329668.3182	425869.3777	336526.0224	444599.9719	504416.1636	490564.4594	402356.3829	677375.4386	577957.6372	213746.0971	340978.7871	289442.9681	306783.3367	338417.7781	299731.4508	275731.9319	215037.6188	2804666.186	2504206.657	2727387.042	2441020.144	3013889.298	2917363.597	2474020.417	2650638.586
CYCLO(-SER-TYR)	4353701.808	1766873.532	3232813.486	1927422.941	4473110.834	2985760.275	5533780.592	3057965.202	4696131.766	2509617.18	1460675.886	1039873.804	1697277.925	1360219.114	1438441.026	1129375.949	1195668.807	1013765.121	2246929.724	1292834.006	5859203.118	2551433.538	9625727.301	4380046.369	2437077.784	1381851.282	4283596.712	2410943.306	1633334.815	1424303.647	1598786.245	1106729.156	1251124.635	1066302.966	814098.1999	751899.561	852606.4398	709823.0919	1383606.902	928783.6438	4253234.536	3076716.288	8589439.355	4172306.514	12984616.76	7047170.098	7173689.11	4548551.004	11860064.54	7720909.69	2494654.225	1649680.032	1509048.628	1121509.743	1435548.312	1081020.258	4621392.394	2641206.109	4626895.623	2500780.69	6163331.291	3318487.748	24034449.65	13208487.32	15924097.29	8186365.997	18010065.75	9520910.193	13478333.53	6603080.358	2474550.466	1456375.247	2281301.236	1926230.732	4612200.801	2949493.313	5176750.533	3121335.906	3744614.92	3218231.928	44184.19968	76179.40581	35157.89784	34304.27672	83531.21757	31121.22026	31095.93419	66238.00129	3559307.755	3335234.529	3349831.482	3291941.19	3517529.474	3199627.95	3523354.292	3468820.214
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate	654702.3065	260599.631	169557.61	244051.6849	511810.1593	459295.3695	19458086.69	16437752.93	915587.8121	296643.2914	183231.0493	423762.6627	13281511.32	10132780.29	211145.0759	221654.9311	440760.7536	286401.513	16169318.2	15358413.92	12126354.36	9683640.319	265505.3065	225181.3999	442285.1566	310910.8282	408257.4701	307690.2782	736858.1124	775050.452	12333765.75	8763444.904	294826.3129	302647.4155	304324.2547	236910.4786	451639.5161	124984.8269	667826.1292	290421.9425	476736.407	285925.4663	12959395.67	10548121.5	455029.4586	276550.6572	343729.6078	249582.0917	461571.8485	319847.2545	496166.2018	415293.1964	12564099.27	10312786.64	79115.28799	323151.2892	471184.2944	302744.4701	126453.15	280585.5517	281173.3608	197039.951	22227529.62	19130017.88	454268.9647	327417.5364	2887142.405	1687223.37	222423.0952	231366.0374	278921.4479	348227.5801	565385.1983	475847.885	6170775.407	3687977.684	5756843.574	271160.6892	18501257.83	14358711.05	241343.0574	125747.4121	234143.2222	229855.4626	216752.4533	199636.9398	217902.3318	135229.4136	2664160.739	2650524.658	3052659.65	2949601.723	2693531.913	2640788.711	2807102.955	2739585.853
Triethylene glycol monobutyl ether	5748340.57	2828954.686	1835653.562	1231299.293	1532041.647	1145459.212	1584989.334	1306556.052	5342537.045	2664215.543	2531559.627	1990869.067	2906965.07	2501395.709	3809465.569	3325476.927	2353919.135	2079386.509	1433052.467	1467032.749	1654553.942	1059231.248	1872508.256	1271517.861	1819851.741	1209063.243	2211351.828	1590106.207	1798027.242	1761908.7	1318225.997	1008861.599	6978801.699	5131924.142	1364952.303	1458087.965	1797247.582	2082470.759	2668813.167	1381713.563	2322822.327	2130365.973	1429386.744	973932.1309	1493078.83	1201642.728	1635811.246	1396044.845	2901187.429	2340588.402	2197647.007	2101873.052	1577711.487	1047381.795	3706058.764	3151171.315	2753161.223	1984163.498	2067580.168	1369011.495	1252576.184	1000824.592	1489105.082	1278763.861	1446959.89	1513555.789	2564572.077	2030941.768	5616792.714	3743939.188	1506936.401	1067990.042	2151857.574	1682186.984	1375454.525	1271643.014	2587575.773	1961707.847	1722530.837	1885860.879	522040.5455	421795.2342	577509.1413	788086.2208	998823.4662	1315489.868	1451122.688	1885364.247	23322396.72	23716558.49	23777657.6	21690051.41	20710278.39	23596114.33	22564562.88	24470321.52
NP-002854	23733483.53	10887432.21	9736235.851	5690104.582	12227790.83	8353948.376	6473949.303	4367805.828	10219515.4	6841862.865	8500309.236	4942420.892	9550186.547	7460012.147	9492939.629	7415859.317	5239873.621	5250867.12	7541089.41	6803199.374	7658237.07	4559275.383	9280749.405	5227728.716	4861669.795	3081998.575	7514803.799	4948290.527	6652745.055	6095545.895	7977379.104	4315777.674	11919706.74	8763678.016	4035252.692	3881019.992	9513467.885	8007477.765	12627770.77	5862922.696	6750524.03	5327986.105	9379633.68	6168896.751	11961340.3	8521784.154	13765315.51	8748025.576	9152263.254	7067795.279	10672909.63	8966464.23	5846475.525	4502730.119	11441428.1	7852757.747	10390006.05	7481301.607	11015745.42	8574686.071	6871340.937	5271475.936	5528911.471	5027696.945	6530805.722	6653141.791	20665035.41	17085206.7	12957054.59	6827249.762	5039888.265	4255736.562	11167100.43	7360752.256	8760034.087	5956370.282	6811288.286	4036850.965	5610187.978	5367695.952	6374473.567	6038345.369	5668733.523	147440.1695	5440508.339	653565.1141	872678.0408	1181648.852	5764234.367	5728508.681	7060007.759	5799533.425	5676226.379	6329904.095	5461009.468	6298895.772
1-Methylimidazoleacetic acid	18019072.57	7152360.086	10144838.2	7727288.349	8147592.916	7206298.841	1924800.659	1228236.9	4868218.325	2614565.151	6613039.744	5465823.4	3549524.341	2851175.226	24961327.18	17431666.18	13767734.94	11073766.3	4222365.536	3287768.044	5500436.879	3327970.034	6268482.97	5024309.485	5323516.323	3845976.802	4101023.095	2715364.555	6328364.571	4293208.08	5658638.751	3352574.33	5321783.314	4190380.747	5290775.37	4672658.452	6618453.598	4384893.399	4703858.286	2288638.832	17992302.2	17538598.35	4458732.178	2761093.233	14886266.81	11437949.41	12969262.74	10474107.48	5526776.302	4195863.22	8230630.475	6276259.238	4691345.033	3390943.901	20600395.6	15520390.08	5358372.216	3816109.223	13100326.48	7647913.253	2616467.28	1678398.595	2413703.499	1791695.696	9358849.732	6954874.313	4831272.204	3845501.105	4656946.056	3459534.785	2366203.998	1829948.855	5804589.669	4446965.676	11892445.72	8216416.873	6542811.779	3742651.284	3229390.856	2972861.364	72649.73376	52468.22465	332335.3847	40961.25216	309897.382	39151.54178	43539.48241	296006.8865	10512594.49	9761891.465	9848870.752	9582558.77	10011948.32	9865316.432	10331225.94	10224134.12
1,5,7-Trimethyltetralin	2934601.491	1385794.037	3578487.579	2253999.088	2040826.559	1572664.381	2269955.658	1690192.242	2069375.528	1287962.412	2219049.859	1990129.905	3889729.609	3050667.016	1834553.528	1254072.676	2501071.509	2284177.36	7621927.363	5159663.457	4460461.958	2353723.735	4486901.156	3136254.144	3086076.436	2223589.354	2800482.692	1923376.38	9974535.636	7509475.97	2531303.846	1649265.157	3981809.593	2103516.242	4945393.045	3763377.523	3119548.052	2659735.806	4028476.87	1767930.17	2176328.895	1890007.44	2497378.619	1616360.327	2119424.472	1464972.263	2309653.326	1661570.564	1412804.575	971274.2197	5496869.9	3851366.745	2042276.912	2101434.011	2284382.353	1461729.338	2770388.342	1787604.225	1580904.084	967220.8316	7084361.125	5121998.458	6460040.498	4520299.314	22405346.54	18880754.05	13502556.44	9995008.537	1783189.568	894016.8883	2160583.78	1469681.897	3194778.643	2456227.528	3308877.131	2722809.701	5433121.04	3161876.121	9607131.085	8295405.202	151172.0589	141347.6935	224190.4075	210825.5095	324723.4179	211637.1421	254201.867	254632.6097	2133688.423	2056364.276	2122973.971	2254981.431	2335888.739	1880294.662	2041409.23	2239746.158
LQ1825000	887273.1606	737726.1006	907300.6578	787449.1162	797156.9229	790607.3545	3612563.895	11340873.85	606703.3182	511606.684	766911.5569	690604.6031	2063757.062	3627837.403	572906.8719	674109.145	692706.0442	568703.3713	7922817.663	23975549.73	5763088.234	13406698.79	636457.4947	631297.789	533818.4829	549444.2728	531940.3247	423979.0106	592794.1571	534327.7352	3065062.304	9916663.909	751150.375	651092.6901	484616.2865	620671.3607	608083.2587	577757.0111	719716.7256	443869.5059	815470.4899	729136.3575	3630291.844	12876099.92	783733.2819	856572.7917	599820.2493	555606.6304	585524.2873	598441.8703	790122.8891	887537.1002	4144158.55	8319190.46	669033.8179	610811.0496	566440.0417	467288.2378	568600.63	561660.9316	663583.9968	543308.4702	12002718.51	22468510.71	674895.6889	623807.9436	852302.4271	523552.7606	613653.4967	526787.4	679459.3903	726366.5221	673297.9751	765914.4927	1035886.847	1849418.292	1594157.597	3768703.976	3941068.774	5366161.649	304003.677	496566.3748	289206.8646	304551.7215	434992.6224	394887.7531	262490.0017	304913.0104	1097733.216	1158040.913	1037738.546	1059089.184	1125714.391	1117053.526	979290.6844	1189089.455
NP-013663	8438737.584	3895222.218	6008243.767	4570285.251	4728585.901	4016322.187	5361560.599	8018849.674	7212655.52	4374545.067	13139867.78	8492149.279	5424083.703	5055886.353	9338347.482	5413183.537	8456060.901	7056678.209	13434479.29	10684083.81	7134251.312	4167138.907	5686980.116	3924659.67	5375304.964	2877824.256	6252000.06	3189204.453	4221149.494	2901542.705	16601889.11	6022003.098	9527870.054	6498374.447	26480074.23	17969323.08	4805380.672	3975546.571	3785193.333	1610948.026	8322543.205	5744657.923	10797603.48	5391750.804	6147476.854	3968916.331	9082693.181	6874549.335	5741832.845	4279803.724	17725186.1	11716559.48	10122324.38	6676091.597	6807270.649	4913852.05	5562707.001	3354022.311	11899041.48	6523819.733	2029122.97	1430254.511	7982113.744	6245758.802	4658597.924	3930261.597	4387284.424	3608798.323	5876213.938	3182764.155	6379824.937	3394026.664	13128538.48	6549496.399	8795581.483	6240470.062	6488699.551	2878691.277	15489025.24	12534294.35	269559.8226	230003.1765	154098.6436	170274.9514	227139.634	128992.7636	208293.4217	133129.5713	5987433.241	5139119.569	4647558.884	5024067.614	4807549.906	5384860.422	5422794.843	5799586.338
N,N-Diethylethanolamine	14537439.67	5192756.502	11192307.67	4694183.715	9871956.546	5779207.796	9141545.572	5667144.144	5038177.648	2863492.697	4634676.095	2608133.99	3756872.758	2826580.105	3655042.437	1972093.37	6643269.544	4406808.303	10245304.16	5379645.017	8722338.648	3702893.265	6271445.598	3409040.309	6807103.143	3639110.985	6008816.071	3296922.682	7349646.488	4433299.79	7708218.962	3109400.484	5153075.829	2646459.67	9981386.122	6196737.654	8265822.701	6523604.409	22544719.46	9518052.663	3964237.165	2594764.781	4726541.959	2522379.01	10003215.9	5689217.885	9472828.845	7714417.294	4150645.319	2896748.412	7161497.107	3454069.989	4756505.47	3209850.708	4750813.386	2894213.519	4378472.526	2389069.351	8695198.303	4108074.452	15367875.12	9148975.07	11448066.08	7296439.719	10774205.45	6631033.217	20356498.95	13703704.16	10338559.24	5301992.8	4290764.04	2275277.999	5778128.219	4372182.679	12888796.13	8182306.963	4865782.374	2875123.659	8073684.489	7641649.01	2891070.59	535219.9914	2908249.539	2885935.399	173475.0616	2893501.86	461302.66	335039.493	13107724.87	12130206.67	14875310.07	13357275.78	13385186.37	12700015.23	14658203.23	12208254.66
nivazol	18218400.81	9131320.177	18998239.21	13111511.1	14981051.1	10571966.16	15161848.79	10590682.41	16658144.06	10761373.86	18580670.46	12704587.02	15379651.11	11684763.78	15220422.03	10330826.65	17278636.37	14588152.77	15527124.55	10392327.24	1129707.893	632013.7319	1263456.991	905420.2318	1293036.295	1042974.852	1767459.812	1196413.866	981586.1156	760311.8438	795118.5413	627736.0477	954499.8282	522717.9194	1109007.238	1001946.494	1318201.872	1276970.557	2073058.812	1336136.215	22162503.39	16877530.47	16203619.14	9696085.644	17433571.41	11850147.15	13154368.18	11831007.44	18800520.14	14524341.8	21449928.33	16020856.11	17294407.94	11179556.38	16705063.96	13166010.69	18541958.83	11108252.12	14737436.95	9532275.905	789392.0519	1099798.079	340593.7721	351911.1973	659593.581	396234.3721	3507546.096	2262461.775	1435212.25	841446.5769	938235.2508	762156.1259	1068529.592	1080636.424	1303601.069	854529.9764	1150456.402	712545.0268	980657.9883	497417.9964	688144.2865	571771.4572	452625.0997	552106.6915	439291.7098	495982.559	518346.0918	458823.1764	8236024.945	7797095.87	7141296.33	6801842.789	7092656.003	7820937.431	7758317.497	8023056.575
Nicotinamide	10987815.31	10422784.61	6554237.503	8276347.66	6673039.98	3140483.068	11819202.35	11593932.01	8643151.173	8602612.909	7435216.318	8711071.246	11627253.86	17433527.81	12083363.86	7894766.134	7199816.828	9296142.885	5995961.261	10667416.79	8959046.338	7846705.625	6811155.729	11082512.32	5414380.937	8689965.395	12018408.35	10621210.08	4901869.828	4746237.135	11744349.69	12316367.72	7883796.801	9956648.624	5475085.214	4922081.211	11707282.6	14713349.82	13735788.19	2540170.231	6849782.886	10285443.4	11582556.86	15125719.39	6517032.664	7718312.989	6460191.8	5914850.722	14141880.65	8537335.105	6344320.521	6915616.939	9612023.394	7962383.155	9477024.663	3143816.566	11023644.48	16707831.29	13974845.92	14770904.84	5588007.448	6837839.074	18747403.98	20004130.75	9989129.559	5908043.875	5335721.174	12179500.15	19605436.96	9870753.568	8208944.516	13646253.85	9615427.403	6940222.906	8129852.193	5352868.555	15475356.42	18757503.03	21961271.03	20283281.06	171337.9165	267879.9219	178482.6755	256086.6906	256956.6293	307295.8175	223341.5694	316143.2462	8796669.896	5532878.108	8472808.693	8348340.695	9474820.093	6005818.015	9771246.011	6447187.949
N8-Acetylspermidine	8421855.734	2815214.585	7939403.345	4362583.515	8175529.771	5759789.683	3827256.702	2728390.606	8523417.527	4259668.075	7622494.194	4494852.301	7635321.582	4781479.191	7182786.95	4431878.303	11778201.71	7352409.002	8621496.678	4447100.343	6622761.818	3250294.388	11651921.27	5855217.373	9253870.554	5084524.751	7408006.675	3818792.796	7606395.488	4606382.807	4591803.859	2269264.481	4773967.265	3390940.421	8884748.639	5399914.351	8499171.677	5387792.068	5167274.165	1860572.583	13065814.86	8625830.217	6648295.14	3457971.911	9304622.828	5424371.07	11812642.97	7298253.054	12405567.08	8611318.173	13037355.2	7514197.63	3730152.74	2428140.433	9247391.239	6592162.494	11077284.12	6261590.202	7361279.486	4383303.876	8962460.489	5978353.674	21004220.54	10814554.38	9277160.641	6653332.772	22155983.22	13407922.81	8604094.358	4774770.734	10850850.36	5372794.385	11916330.57	8214312.378	15694532.46	7994858.914	9160919.432	4975517.866	13102952.8	8485839.937	301688.1287	54566.29797	72097.81747	88981.59943	92041.74014	120867.3708	75499.67432	95423.95087	7563703.152	4635399.731	6168255.822	6947691.227	7289123.303	7062337.798	8557993.23	4069385.153
N,N-Dimethylglycine	8032349.36	3356535.312	6329867.575	5962100.029	16848044.75	7548958.911	4840431.542	3543129.11	10807338.98	6889958.968	9798666.448	7650438.403	7833652.711	6713583.006	7685890.454	5507160.09	9058056.735	6459700.004	9432500.067	5690340.406	8621895.231	5218479.763	22638137.6	16322799.37	11279302.11	8727002.203	7365781.411	6544420.51	13896615.42	10182198.76	11624944.62	7917326.379	8206953.935	4619122.025	11869693.95	12489967.03	11328423.98	8023415.702	7687001.539	3955970.747	9788641.809	7749470.661	14787012.49	9582343.734	9509274.694	7864704.865	14394755.47	10689887.9	13453922.51	11970464.15	9216293.702	6843422.051	11682574.86	8663707.579	9703504.752	6984732.217	11206651.62	7193148.168	7142876.115	4966415.788	9292035.855	5111576.929	14066164.75	9275228.088	14034043.58	9686199.957	14912039.34	12073750.77	11123580.17	7733771.234	7975726.164	5896714.125	13883988.74	10665957.61	14798375.27	10408450.86	10081875.27	5892535.739	10148264.48	10559662.35	119353.0938	341801.6245	69634.23272	104622.717	42330.24914	56199.88789	68489.40426	106197.9049	11479593.09	9948145.834	10291861.12	10609310.45	10770783.62	10296879.83	10433507.36	11239856.96
1-Linoleoyl glycerol	5734763.138	2124969.333	19038984.77	10165310.61	5190923.236	3608073.155	2616565.219	1537187.713	4683735.128	2524188.596	11607147.07	5234088.434	8328648.649	5760784.516	8629311.477	5791699.125	25065401.88	21260319.91	3007239.485	1960492.437	751694.9978	369046.0201	4170481.015	3171813.602	4510668.682	2710765.752	5306877.41	3579980.167	2623418.125	2123901.232	9836545.25	4860254.679	2643596.385	2200968.981	6435347.052	5352264.943	6839154.53	5495344.321	5414877.449	2353641.409	3976668.422	3468206.915	3325154.411	2110844.754	7649661.874	4900677.133	4254525.664	2866055.606	4353693.316	3240615.07	12088347.15	9076470.728	2931369.075	2770613.685	11578894.94	10036573.11	10268785.1	6575064.893	11724830.69	7011573.486	968182.9777	399317.0038	759495.0116	627587.8804	2697677.063	2087562.945	3369630.077	2725270.085	3375472.552	1865893.17	8162978.742	5798172.352	12406739.18	8790720.278	6633231.885	4246814.895	4881847.641	2809437.096	1848722.16	2000403.097	193798.5292	174965.7411	167421.8925	233809.2286	232452.3722	204439.0301	312306.5404	310973.3341	3934033.939	4286924.035	4453860.169	4430724.209	4646529.936	3867821.773	3804222.639	4390313.575
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one	19327998.89	6892445.52	20623099.62	13636085.75	17848410.5	11166823.32	13827392.67	8959070.808	18569740.66	9559363.622	17095460.01	10071201.79	14867990.91	10475991.86	14989148.34	9784607.273	19201030.81	14963202.18	15416755.57	10033348.18	5187300.415	2891021.361	5878551.81	3708435.11	7557338.851	4230140.863	6313004.5	3779201.247	6494410.308	4971334.787	5873094.823	3710449.677	5471684.718	4776245.634	5356278.114	4096686.353	7673849.243	5508805.856	6435631.761	2789170.337	19106156.07	14339303.95	17387747.24	8705782.164	18686138	11671581.79	15584473.81	11814192.48	18492614.85	12384283.51	19102611.99	13077745.1	14798961.29	9005492.882	17735385.03	13385588.78	17253207.09	9062760.562	17297889.77	10784030.26	4271963.522	2792432.053	4935348.685	3234664.808	5791602.664	4682559.959	8804457.543	6846965.893	7280106.404	3681603.746	5719623.261	3758466.593	6758610.416	4751261.074	6413706.421	4528877.038	5576060.555	2910150.107	5705037.356	4902496.755	1707649.598	1481660.392	1644580.764	1561571.69	1451663.172	1473537.115	1456057.281	1559596.217	8919998.41	8889894.11	9376868.62	8774248.267	8256790.174	8665052.468	9155913.412	9190781.01
Sorbic acid	18512886.69	10487228.87	12518311.61	9398845.966	21319327.81	14201408.14	8972896.42	7369644.142	10955478.92	6957223.046	11078706.14	9348736.994	10873338.38	9038523.113	11093386.75	8633639.212	9483768.861	8334027.552	15843163.52	11281886.29	7766051.833	5796909.53	9602080.818	6683998.138	5126623.564	3828779.515	5558858.157	3616827.232	11048423.06	8402154.715	7809142.818	5571622.483	6644901.143	5213229.251	5495835.037	4804089.096	3823334.371	4194248.036	11941330.78	5431810.073	9110253.111	9007077.677	16160906.29	10729546.07	18315356.05	14561849	21741939.64	18146865.3	10230221.38	9330608.192	12713512.66	10664276.75	8669182.752	8361292.867	12915965.36	9337734.019	11528081.29	8116013.004	15171961.46	11052519.13	5634317.051	4974241.076	6137948.214	4411404.269	6582040.532	6382210.928	22425279.29	17614991.94	7666011.183	5214847.054	5028687.907	3854958.681	8315986.143	6610333.425	8852259.768	6922340.252	5753211.097	4080452.073	7182511.076	7372678.28	989249.6798	1422530.146	2057212.23	1814922.766	2177470.589	1921651.777	2092352.939	2396356.226	8493608.519	8698361.015	8443091.077	9076205.154	9115525.67	8613175.569	8045418.35	8891734.767
3235	15784480.48	7984325.535	12015451.7	9310174.067	15378211.57	11691911.76	14000526.2	10135029.26	11044981.29	7097171.149	10837897.42	7524217.538	14154398.26	9920740.179	9334770.918	6974529.471	9733349.801	8239718.478	17739358.01	11105447.59	10156772.84	5823072.122	7989958.426	5068757.627	5019881.984	3865906.206	5333998.814	2826936.845	8710094.498	6373337.994	8783339.173	4542191.152	6285127.036	5097481.18	6289340.129	4884141.501	4919899.464	3519727.498	10099329.22	4620049.266	10491023.84	8366078.824	16935828.29	8904739.149	14547719.19	11952461.74	16298447.83	12594811.44	10202733.31	7947844.284	13010677.78	9936638.068	11831559	7346116.28	12185643.84	8587300.011	10925896.89	7298907.518	14983071.74	8640138.526	6097048.899	3696348.094	8802361.299	6199160.666	11777418.26	9811076.423	21620856.12	17093354.98	4538953.381	2472044.132	4958280.609	3247237.079	6835701.612	5991315.81	7887956.44	6348265.633	5920809.616	3812960.537	11218901.7	8881529.419	955303.23	1150318.74	1313626.561	1545562.343	1515737.654	1303693.526	1375693.941	1632740.408	8656937.902	9519177.526	10056235.92	9457096.294	9521273.892	9059988.482	9022901.512	9367948.485
N-acetyl-L-2-aminoadipic acid	9406178.66	2108763.177	10420668.47	5270855.498	13858836.59	6488317.1	7675228.18	3675497.628	8392872.331	3927218.939	10836747.02	4761022.509	6786478.653	4042771.046	9184690.827	4924223.816	11931770.79	6594801.008	14647091.1	4240557.571	10210111.37	3479069.356	18183273.94	7520772.054	8801712.484	3345705.44	9735058.867	3207752.219	9533986.681	4258289.062	12616936.69	3447334.661	7143736.507	4793875.88	9348780.505	4963719.912	13819984.71	5557387.008	8224447.614	1782317.578	11436808.06	7287681.034	9968650.806	4178451.057	11990421.32	5643520.312	10862652.48	5647138.534	11188912.99	5918942.191	11582113.8	5430866.29	8840158.831	4311270.151	8735372.367	5616446.816	10685152.8	4691454.59	14615642.12	2997042.473	11279485.71	4969459.881	18772133.23	7182440.346	17266130.97	5956687.007	21635232.83	10945102.78	15859017.25	5186178.365	12266804.6	5226826.874	12419568.71	7680652.128	16101834.07	7571385.703	11971734.32	4116846.959	18117955.81	9193729.725	182310.1156	97883.08619	154072.9728	90783.05497	144041.177	86713.50407	129967.7432	89154.18423	9288008.65	9015513.646	6928513.431	6669657.769	8436845.688	7970393.071	8199662.412	9425425.941
Senkyunolide A	13629495.25	7419607.239	9479340.545	7795182.197	14332421.61	9794605.629	7975122.577	6047896.188	7416475.867	4944821.597	7212655.136	5530079.49	6971253.545	5329144.458	6166202.01	4194399.411	5984664.436	4896674.562	11148330.14	8006022.596	6285189.808	3906018.606	6201862.225	4528627.98	3653194.989	2646212.868	3093905.162	2010190.18	3680262.49	3270135.743	5436578.179	2753848.348	8186149.417	5424681.308	4090822.686	2981198.431	2829875.638	2339896.93	9407119.966	4594572.911	7047216.963	5364450.803	12658251.47	7499444.599	14103406.86	11368984.08	15720138.85	12700594.24	6737996.027	4883760.974	9765509.903	7240472.824	6660211.541	4640793.868	7395046.976	6457468.642	6952521.052	4181032.186	12679684.69	7314081.765	3185070.04	2563707.288	4147423.4	3573065.219	4837479.23	3867457.39	21559007.25	14630369.11	4702678.206	2752192.826	2171876.204	1965633.342	5199285.351	3827045.999	8002710.65	5326631.806	2471553.6	1693785.739	4355354.031	3186113.755	366483.1548	380069.8878	366086.5393	495026.2537	505857.728	436977.4648	524489.7121	626856.6008	6999446.191	7395731.726	7310574.534	7000550.916	6692176.902	6485908.425	8280250.183	6760554.765
L-(+)-Alanine	5514015.384	1812195.384	5397923.408	3578490.265	5858010.967	4791010.369	4631785.693	2873490.814	7097480.293	4565166.306	4185368.144	3610655.827	6673665.877	5247189.941	6953352.91	5390279.782	9492168.299	6945104.793	8034787.701	5302582.721	6563408.141	4231239.73	5485825.09	3441633.259	12024497.04	6553115.368	6132311.988	3534483.884	6468045.261	5579593.977	4276435.511	2212693.833	6940138.137	5081699.649	5281461.865	4677988.161	9625239.035	7086672.204	8890170.29	4169120.572	5649552.331	3556263.372	5169343.511	4358236.399	7195331.128	6002797.928	7676286.451	6040278.852	8500534.496	7362560.101	3960444.709	2975163.051	6052001.299	4927194.628	8217380.715	6894585.938	7630128.753	5225381.899	6108585.976	3924537.919	14170799.55	8335730.139	4233380.615	3018502.007	6460806.842	4459081.078	4013635.084	3270591.476	5646072.457	6426699.922	7653179.616	4823679.961	5123435.384	4316418.67	8687974.858	5271003.581	7862954.512	5688393.16	8288552.889	6450918.487	40988.99357	204333.0359	34378.92157	200665.375	211023.7908	37226.16755	38804.72357	39501.55779	17706714.77	16288503.41	10598156.82	16351974.02	17188884.99	17954090.19	16585737.77	14232343.9
DL-Glutamine	1002754.621	611068.0177	722817.0894	645627.1149	971534.8343	1317279.474	1815957.949	1362856.738	717132.7822	662469.1709	1072501.482	1020224.882	766316.5907	879101.9352	1145779.658	1597259.355	861093.9989	978223.5818	1523590.682	1106967.822	823701.7462	646149.8308	902651.9687	810403.9655	944142.3484	988804.5395	667636.0897	546287.852	707634.6965	790500.0525	718054.615	112891.1539	782043.7817	777110.9653	547289.9013	554574.5086	701319.8062	709136.873	1099510.524	775148.8625	648983.1955	734184.7146	563750.5662	393424.5211	1093607.289	1430595.016	1455810.428	2303971.463	765204.6657	935115.9998	630520.2923	481234.093	606229.9567	574040.4919	978710.6634	1202036.321	855494.3185	879702.1005	842931.0261	681833.1802	4647488.622	4917661.831	730145.9664	901587.8717	508774.0687	458356.5997	860053.4248	1097213.282	817442.6755	656430.7101	573304.9887	528368.6319	1118305.255	1553687.469	887698.2089	719895.4659	1094923.379	1051842.943	1150845.269	1762553.952	53764.5831	88117.34968	195727.6467	96293.22812	46705.43033	135962.7146	95493.60769	66471.77247	15244235.23	15739024.77	16920496.76	18492650.7	22281977.63	16572266.36	15876746.27	13178705.37
D-PANTOTHENIC ACID	9193263.33	3736099.772	8403839.953	4921295.687	16524321.59	11307910.39	3172763.536	1958438.75	10186261.86	6251451.616	19603313.02	12909894.93	10953796.63	8487926.104	10676283.42	7433730.626	14352319.47	11430859.32	10727678.19	6247294.827	10545741.57	6372278.64	14399958.54	8718500.267	12518458.97	7246441.125	10708021.29	6021770.202	11077230.87	7651308.888	12638102.89	6277882.838	10113333.1	6390668.694	17259020.63	12247135.9	15818596.15	11178006.21	12451625.96	5038976.159	12238502.21	8595725.062	9816789.216	5341833.442	12647412.31	9125586.566	17190682.25	11951548.83	11944756.28	9662621.18	14686980.74	9395536.948	9296143.034	6001941.932	12439906.06	9423530.656	12584552.73	7780744.11	10465599.46	5913466.076	6724046.158	4427082.873	10441977.57	7243508.332	8063131.006	5532797.971	13398143.31	9810433.736	9587728.379	5825057.047	7511956.278	4842651.159	17590203.72	13055182.63	10161914.44	7119772.392	13445227.28	8340220.924	10628128.74	10279655.89	153124.6236	551362.4696	408690.5057	307424.9556	288631.2306	396584.6308	404206.1981	593010.0067	14852861.39	13601103.53	13984727.55	14144882.13	14017570.9	13548595.66	14545186.81	14524593.61
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine	4760073.884	804046.6356	1562683.719	599555.6223	7563357.771	3324188.891	2312515.228	685346.7229	2324540.042	683426.2384	2536052.122	1029864.775	2053088.956	989392.4831	3321440.667	1159298.383	2224759.423	1179606.732	2970431.426	729371.6672	3653951.425	1166611.972	11577975.56	4906995.245	3806422.697	915432.8834	3452404.048	667977.7228	3639190.358	1458619.854	5098405.164	1502083.378	2422484.032	1092603.86	2029775.629	833481.3714	2440332.813	1033946.911	1795535.213	204282.617	4896308.381	3249299.399	4855204.727	1202656.668	5488634.294	2835757.498	4228711.188	2385547.437	2576725.96	1022599.718	2246072.889	746917.3623	1239255.83	387693.076	2619529.037	1202323.621	1796563.253	450066.1191	3284954.803	973136.8634	3450944.835	837568.8266	17474633.65	4529366.632	3400007.557	1723213.51	9101258.872	4395398.907	3351591.393	1010131.851	1779612.857	492678.467	4287977.635	1976281.87	4971167.576	2049684.17	1712826.469	341478.5548	8464599.076	5673359.224	85751.06901	818798.6611	76149.05696	79709.77097	81296.26689	1064124.999	91942.8211	1152413.76	3269322.079	2778944.891	2992231.914	2885725.836	2813647.395	3205762.276	3386234.138	2781949.444
Guanethidine	647420.761	339700	1712143.298	603913.1502	490098.6296	414287.0272	569779.3224	422648.0883	392092.9665	276856.0432	533583.1628	473942.8534	811834.8847	860910.604	422104.6196	328716.5866	1388616.289	1184452.922	7523832.579	5104593.939	1708696.609	1134381.191	2687525.627	1771456.349	2418595.224	1579547.07	1554068.325	851737.4438	11102470.35	8286162.321	552412.8928	569210.6051	705714.7811	443772.001	5390955.181	3891728.089	965361.2205	1292078.64	3163475.069	1118303.025	545025.5081	479702.2508	545203.6255	427312.2241	519499.8646	390397.0397	513222.1001	432533.514	351931.7867	316319.7868	3009846.551	1884467.391	559788.6077	415129.338	537326.379	465231.0005	682984.3374	567105.0441	466333.6101	393557.972	5714459.723	3931821.533	3165498.01	1770343.006	20116641.04	17470420.52	7389877.224	5849182.288	342343.1566	250127.6271	667280.4227	390597.5497	816010.2447	397766.3956	1624166.082	1100819.915	5785872.177	3718509.202	6808074.831	6362105.339	146978.7439	134909.241	147010.7504	156102.9275	168314.9449	174050.1577	201865.3975	218358.9912	548085.4763	432177.1805	847694.1898	422668.3679	415322.0032	936899.4916	440483.6923	517134.9727
ET8750000	7220868.621	3700829.274	8410907.647	6420009.448	6062802.859	5068466.319	4396900.456	4179862.346	8414839.982	6434165.498	4949783.033	3997067.387	9178869.285	8310871.304	7046885.43	6638011.5	12209341.98	10776960.65	8987899.022	6210119.237	11326768.19	11382685.39	4404376.247	3550685.523	11089926.15	7324750.883	8668397.583	5921027.642	6521978.435	5006656.301	3457643.577	2178096.061	9536942.249	8577257.988	5145653.725	4644237.632	9133187.776	7707215.28	8781693.601	4898861.029	8848643.404	7275452.483	9543346.903	6489366.632	9995228.074	8628186.163	10086531.08	9205484.142	7851868.405	7303214.513	6123855.7	5491865.224	8690876.652	7033961.512	9473604.452	9064053.061	9888656.235	7999149.223	8190701.851	5839940.862	12389445.08	7212932.157	5572395.33	3968569.719	11459754.75	10619685.98	5114183.856	4960411.419	8793920.26	6345138.484	8603587.298	6686640.006	5402855.893	4520756.439	15892187.48	12344955.01	10293685.73	7212409.543	6975191.913	6933376.948	356482.6381	483368.6334	36595.34864	413756.3352	426374.1187	33401.48157	496670.337	541198.3231	18528742.32	16393026.6	17318851.79	16962773.87	17065536.88	16343987.39	18583657.43	17560565.15
CY9070000	5770377.868	3060158.106	6147347.632	4196904.29	7169894.096	4676841.364	7447562.175	5465922.991	5201186.591	3681698.24	5254420.556	3668575.711	7067372.059	6410816.999	4115092.407	2918836.186	5152397.422	4402492.368	12438515.27	9187818.674	6093875.798	3748857.701	5998572.662	3735501.937	5025554.737	3553634.452	4318738.899	2539908.696	12286301.91	8468225.037	4834377.43	3222721.478	4327577.36	3911336.01	7391604.258	5015255.052	5124273.521	3570484.396	7301776.341	3330102.453	4287528.883	3871639.153	7919113.995	3900412.938	6880499.687	4944763.185	7245658.344	5977621.405	4454771.887	2630060.342	7337425.837	5563085.782	4297463.325	4516215.392	4860949.633	3447187.542	5291932.823	3151666.818	5758072.643	4050419.555	6308128.625	4243817.461	7402348.416	5089117.249	19102682.59	14612661.93	15275767.04	11170961.89	2966542.407	1493390.068	4121929.458	4140500.45	5285823.102	3427730.082	5907201.512	4520419.569	7744570.675	4327823.843	14061858.88	11350479.69	138784.6498	130509.6946	195383.974	204764.6925	209222.4631	218464.8472	236360.5807	265101.1412	4115984.399	4358712.258	4220632.689	4142838.77	3916326.563	3864361.478	4189876.108	4496912.615
tranexamic acid	675591.3016	127394.4561	656405.9109	205349.4252	1125667.375	669087.4443	728731.123	447112.9654	359409.5457	97333.86943	1342465.814	911477.8786	312104.0847	364042.2784	904877.0008	582847.6492	790784.5008	507282.5057	1017921.399	336437.8335	1154966.678	565325.9309	781878.8657	307172.5067	157283.7637	109013.9688	155045.616	103742.4823	152555.3341	623527.0325	775780.9407	316249.6612	1486996.408	895412.9593	165594.6661	202412.397	203020.8684	623033.9718	151507.3697	82652.3568	1489935.507	1226203.003	1375579.372	677752.2575	1616717.057	1655350.057	2677107.183	1564709.988	1200681.602	884517.9304	4719720.826	2062869.987	1094506.414	596423.2097	2053709.125	1286496.049	1352270.974	669620.9413	2412586.463	1337543.224	1479029.852	1337510.025	13615748.87	7793201.644	9255274.946	6955124.967	20099983.49	13463717.51	2768349.023	1663820.683	2103063.645	1055302.862	19311078.02	12394662.01	9675954.488	6641450.285	4268350.49	2234361.529	15052643.38	11187614.65	733928.8142	67700.02778	63678.03704	63065.10578	61756.03751	58965.4919	58605.78369	448595.5381	1000311.009	1285322.338	904913.4995	985838.7838	798231.2917	1079732.504	1161770.185	1052901.795
1-linoleoyl-sn-glycero-3-phosphoethanolamine	8534557.765	2179751.371	11373423.41	6323407.399	10284954.26	5729780.712	7923962.374	4784199.239	10106902.46	4230248.029	7547842.908	4793397.985	10438960.71	5985590.815	7230855.459	4041300.192	6321151.192	7429639.962	10173863.87	6381506.65	13338526.52	6128523.264	6656553.842	3123390.231	13069486.31	9332220.641	8146146.562	5041141.508	9940265.858	5570066.47	4366160.66	1840268.635	16199502.1	9209686.055	8833249.46	6250953.77	21003899	17638189.78	9521131.555	3658210.625	13146037.38	13235217.65	15275166.88	7198567.365	10598010.86	5555219.437	9259867.463	5433663.661	8570161.742	5845865.436	8709821.849	5363535.992	10582945.53	8437860.608	11418828.92	6453306.654	12349152.34	5770184.124	8368812.046	5170961.433	7745721.579	4653055.023	10638445.71	6128781.674	17027299.45	11065027.04	8813051.38	5893329.371	7297636.947	5532037.194	6748939.768	4908842.461	6457942.789	6096052.985	5979017.974	4014476.348	9970798.267	4569451.667	7188486.039	5002702.51	51277.58486	44551.20868	41894.36221	40230.23623	39652.4063	37937.73965	37931.45325	39736.20781	6669148.478	6115454.769	6875109.09	6755374.518	6165418.602	6519608.241	6779677.355	6424227.354
10-Nitrolinoleate	5339226.462	2278424.787	3442608.66	2620054.618	3875008.772	3067166.622	20925313.56	16416973.61	5529488.602	2683693.951	4486818.773	2463520.069	10919168.79	7124759.573	3239065.016	1854810.797	2290375.024	1631532.196	15164649.1	9646580.775	13102889.67	7165227.703	2513495.07	1343607.28	3557103.442	2002786.847	4131871.458	1780830.665	3950123.445	2664772.564	10827721.82	7217947.483	3981099.826	2552193.15	5832060.021	4088905.594	1461807.973	1573845.912	3600496.457	1436400.579	2971307.316	2470052.776	14823530.46	10372213.99	4461308.674	2858269.647	5561576.601	3924748.336	3960128.869	2174563.131	5638676.893	4248328.11	12258422.67	7763800.958	2146371.739	1386611.673	1864098.016	1099962.441	4109757.756	2429468.58	1091871.722	674851.0471	15995918.52	11313179.97	2824870.179	2277603.457	6043904.249	4190659.68	3720177.296	2066697.295	3168206.387	2351703.819	2943330.438	1984121.522	5829997.143	3582357.662	7408738.587	3887801.077	17536023.69	14539879.25	167200.7867	379200.5106	159909.897	182196.0026	180933.1295	198373.1961	223745.2559	216393.4741	3943617.733	4049320.539	4698115.847	3670827.478	3622743.685	3903407.099	3709895.405	4608819.401
Sedanolide	16393048.15	7256082.616	12153778.95	8716657.123	15201630.58	11884309.43	12386962.11	9012754.532	10329942.92	6450083.709	10948596.54	7131746.46	9660817.234	7372372.373	8481612.509	6567499.779	9548462.944	8011900.559	16350357.41	10765429.14	7244628.853	4388745.328	6888491.181	4786448.724	3847633.836	2601378.886	3080781.46	2209219.256	4589006.324	4117948.112	5983185.548	3762684.723	3438747.481	3329701.562	6733165.329	4904061.554	2668367.19	2319545.615	11404534.15	4679015.642	8195372.172	7826721.519	17681775.19	10804517.15	16064018.56	11736226.41	17168436.39	15140698.95	11164183.41	8453099.655	13962363.68	9341096.257	9830250.331	7132177.445	11262649.25	8167491.347	10450718.1	7586180.164	13818848.42	9589502.551	2790037.004	2128684.96	6538258.568	4558323.151	5422675.187	4355750.256	19346704.56	16287355.45	3408418.09	2045273.432	2246462.261	2057307.832	5628072.406	3882134.157	9233621.397	5771975.665	2905794.764	1924952.406	6127970.928	4640497.696	1039465.633	891577.9945	917499.3142	999897.9729	1134986.229	998096.6614	1180663.152	1061188.416	9361887.757	9473498.561	9332359.721	9337375.977	9021793.609	8561017.327	9326053.88	9987171.932
2,4,6-Octatriyn-1-ol	15062804.99	6203776.472	16723726.78	11298404.77	15032253.29	9340336.538	11162822.14	7371047.568	17315745.27	9590819.203	15997058.16	9644817.756	15735769.89	10732736.77	13268135.35	8214417.067	16080229.18	13572239.26	12055426.02	7816011.265	2545842.758	1380061.431	3088720.941	1755706.505	4059277.519	1928062.873	3496895.201	1495943.272	2310692.933	1714331.735	2732066.449	1476355.382	3723415.771	2647251.535	2346238.173	1846476.992	3805153.246	2932833.893	2459489.442	1027899.686	16843255.91	12311287.7	12447406.37	7582112.025	14273168.94	9887322.918	12711189.3	8977662.166	16082371.82	11859398.11	17711790.34	10780971.15	12734795.85	4238514.722	16904118.66	11779985.8	15774680.64	9533390.409	12675957.52	7778222.972	1897083.182	1496036.595	2491203.057	1913239.665	2804343.879	2041646.065	2119627.257	1728362.614	3153245.157	1631850.265	2538107.007	1700072.493	2757556.378	2057664.131	2401327.591	1936437.953	1957104.801	1407397.14	3368548.238	1848711.174	1166521.434	1219117.202	1220056.805	1284487.767	1303389.03	1022095.858	1110514.223	1090736.531	7548864.737	7258612.959	8115534.85	7158813.657	7801074.454	7111537.578	7664859.329	7606837.734
Hypoglycine A	1696453.842	505697.1294	1165007.486	711005.8206	1245499.027	1191664.769	20238516.7	13871542.83	1572628.83	1335259.298	1110416.411	817519.3852	3480041.12	2870596.105	1226722.53	908935.0194	1213875.664	803525.8143	18440606.09	11869930.35	8344420.303	5782017.963	561227.3082	515928.9	555208.7729	386206.9019	302767.693	307234.8044	525335.562	413203.0875	6784931.053	4367751.789	556899.639	323868.4784	351642.021	236028.1518	180637.9575	158748.7377	445441.041	292122.8071	1233084.273	950709.0068	9523651.636	5930704.174	1210230.032	1066202.69	1035576.834	952585.6987	1237772.397	1127406.913	1169000.494	784594.9802	8102097.288	5649193.031	987868.7492	769666.7583	1210772.541	938608.3439	1051981.541	804293.0099	406160.0466	331927.6671	16094285.21	13250652.32	868338.4768	526741.346	630881.2239	454463.2886	343609.7463	247690.3474	561037.5194	310823.9796	191399.7913	368202.7635	1101323.463	955777.5746	2609655.927	1586132.257	3728823.905	2813350.464	175894.3276	215059.5893	236557.8702	262226.1288	249611.2221	204179.5605	198513.6966	269497.0251	1958964.816	2051545.357	1627140.116	1771048.579	1797640.453	1874172.106	2094090.102	1830802.049
Brassylic acid	4598909.987	2536250.839	4977861.706	3685119.984	4487095.841	2941071.787	3139740.617	2187316.135	5060926.406	3096476.994	3766200.289	2614356.843	4467718.545	3578062.249	4017852.966	2454056.971	4591099.937	3167664.868	7257091.79	5267506.466	2457189.154	1416621.217	4137535.793	1780309.995	2307187.658	1544218.632	1877152.023	1346910.122	7850699.328	5629596.367	1159913.583	575332.2715	1629131.696	1238190.831	3974014.898	3254174.185	2342843.001	1588282.708	2843116.92	1337172.368	3737372.144	2787606.379	3619983.149	2673429.354	3999584.069	2956186.803	3938803.627	3152897.78	4096466.052	3093217.492	5935066.168	4555188.307	3051735.733	2445317.919	3580739.82	3285239.441	4893999.304	3579311.752	3694893.369	2127359.735	5812517.443	4053721.547	4089939.936	2620431.168	17668065.76	14791737.82	6834504.712	7000683.858	699822.9977	789791.8594	1629388.064	1009983.571	2083207.235	1860099.147	3171986.409	2242935.579	3951048.109	2686736.745	5297911.389	4933031.046	380971.8306	300708.1619	328714.0197	291883.5498	325549.4834	250743.8382	286433.597	385289.9289	2630810.96	2773011.162	2869449.189	2550382.311	2683674.042	2447837.367	2772669.103	2826485.161
3-Buten-1-amine	10043627.37	3553349.07	8863360.732	8007878.532	11895894.38	10839239.15	3132209.502	2511138.509	13430919.26	7579005.901	8678099.777	6980826.121	15364696.45	9149342.355	8991822.945	8317051.677	14305533.2	9598815.236	14403348.52	7971999.95	14802993.24	8464246.034	6646748.549	5446820.501	11494507.45	7473377.358	11608035.99	6649513.356	8776231.712	7705228.603	7125974.939	4319544.704	13385028.53	9169989.204	9501521.559	7618862.56	11423456.57	8188633.773	10305363.96	4467838.403	10217753.05	8530056.476	15327257.72	7715661.279	12966537.92	9432171.776	14174967.21	10202706.13	10914654.26	8092439.954	8593063.817	5614413.137	13805070.68	6103225.481	11837687.59	8528138.384	10777429.31	7972301.003	11362324.44	6672719.831	9426077.797	5662952.698	9043361.394	9111607.687	11696383.7	9419194.23	9611171.428	7004005.85	12545667.62	7442876.405	6865001.952	5732549.18	9313026.576	6857113.361	13243437.73	10968146.68	13292616.45	10004949.65	12870650.96	9470490.717	2820114.972	46101.53533	2325220.311	43304.30163	43246.60132	77828.47748	44027.97616	4033744.079	17706419.19	14628316.92	5738004.589	16607385.03	19410503.63	15344210.94	12453076.46	14859239.76
NP-004917	12013602.02	5588534.526	9960952.801	6791390.099	12287361.35	8297454.204	7300431.912	5622580.669	9691827.786	6008984.049	8211977.334	5092071.067	8925155.888	7487150.237	6633832.036	4916235.462	8263641.382	6856583.685	13543623.33	9023721.663	4997100.767	3569024.38	6717636.815	4351448.098	4424714.976	2766021.85	4105792.498	2272941.004	8309669.307	6651276.027	5188763.846	2974913.866	3979211.984	2709180.491	5323095.529	4766382.42	3066132.583	2862706.574	7848871.563	3462237.666	9370001.003	6752762.573	9001677.898	5459209.367	11715973.23	7994962.562	10900205.4	9380937.332	8258520.771	6203573.405	10555685.29	8508302.067	6751067.411	4709850.635	9583228.151	6964395.284	7844656.902	5945555.804	9882844.838	6487628.083	6662692.348	4266627.898	5408392.335	3436071.935	14144987.18	11122717.6	18696558.27	14597927.37	5218963.661	2463671.114	3649977.412	2366661.574	4790054.053	3773696.804	5985096.008	4024459.993	5731551.465	3457072.651	4994754.694	5614917.158	662628.3691	862085.956	588559.1768	934415.3991	860800.1494	777793.1562	853954.7197	866340.1689	6501146.164	7019701.546	7346373.98	6762738.54	6959777.468	6961305.565	6126032	7276846.654
4-Indolecarbaldehyde	8103206.258	1990178.746	9188351.728	4585813.618	9678809.165	5994076.558	6065295.698	3006061.495	9536984.903	4658763.948	8784011.308	4992030.942	11417643.59	6592746.29	10277031.69	4942706.618	11228324.2	4761411.119	10828084.74	5253601.128	11468445	4742985.785	5590455.094	3117386.005	10675040.91	4618062.351	9568785.724	4651046.881	11526986.74	4866369.95	5893864.906	2303685.065	10262393.53	5381835.039	11887426.59	6694972.608	12464364.3	7215329.498	11354582.47	2902574.512	12198888.84	8603148.438	13833045.06	4625758.614	11115669.36	5670683.358	8251405.763	5608339.835	5469189.056	6154960.674	12129080.31	6019160.636	6823762.244	4275643.331	18362555.89	4912398.894	9679829.63	5500021.846	11246121.83	5908865.352	9331611.109	4605867.02	9713794.392	5467920.565	9210112.033	6213399.489	8460372.779	5844547.83	7848469.672	3917472.802	11292792.35	5647474.576	7024494.897	5531990.659	15602424.15	11855184.14	9297896.01	5523606.332	10451534.91	8329514.815	55821.93253	48969.76795	47398.81057	58874.05716	47993.71792	45568.73954	47835.4962	51604.15502	7484518.442	6914581.585	6836184.147	6477566.356	7051497.898	7002169.453	7173663.601	7256797.279
N,N'-Dicyclohexylurea	9144081.333	4126967.941	8120490.435	5613047.281	6423681.872	4039781.112	4595678.757	3027909.984	10698055.34	5351990.26	6046065.401	3423477.864	5278723.657	3460668.041	7172921.041	5758114.509	5720101.083	5424033.68	15102019.73	9533901.063	5594222.285	2787553.299	13042700.81	7841530.06	5834531.726	3595519.126	8618302.957	5124975.431	6523872.412	4985292.679	4657025.023	2916368.427	5717666.077	3937665.255	23224567.53	18586764.28	7087220.27	5288721.037	15430778.36	7231321.373	4937098.543	3528744.841	3624522.961	1866481.447	4944835.343	4099205.98	3487569.579	3469429.925	9172267.861	6891169.663	7670367.555	5706989.429	3270879.462	1835313.591	6238739.367	4380254.398	6360355.158	3566073.919	7849457.908	4077050.293	5997810.634	4205339.203	2479850.737	1667669.314	8995960.589	6976601.722	12666562.47	8997830.115	7290936.556	4201861.936	4135210.776	2959317.758	3667857.172	3201781.189	4994298.467	3985227.637	7043642.199	3755950.909	11775047.72	9503396.895	1513275.526	1350435.177	1435528.766	1523653.399	1676224.93	508113.2224	2242216.376	2250594.321	615462.6777	546786.31	551079.9958	477472.2168	664587.8086	407163.3232	691369.2861	579329.2763
Elaeokanine C	2906108.608	4711493.167	4132100.59	3361891.784	3857952.398	2830307.774	11320166.46	18398932.68	5368709.223	3519969.06	4293594.621	3167343.187	4009608.536	7870677.126	5029737.138	5321793.892	3456017.419	2882459.545	8089366.703	11655605.41	6849203.549	7601292.518	5898101.604	5646820.551	6641224.223	4152373.445	6273154.595	5266995.962	7306503.567	5912977.183	4956233.757	8764825.214	5142131.141	3529925.102	4852157.015	3748370.064	6055788.297	5318247.87	7248186.981	3563706.961	3155311.691	2552446.844	8118323.313	10743234.97	2973421.171	2040078.398	2669791.421	1918248.217	4796332.604	3403373.209	6311146.541	3754735.322	7219665.202	9283620.111	3540456.709	2770763.68	4905322.405	3408767.095	3748486.536	2549609.134	3975642.91	3230405.349	15312727.49	16815202.4	7005576.798	6261784.924	6827351.31	5622529.682	5621441.848	3915696.718	2677924.787	4901645.495	4416213.866	3205156.218	5668251.58	5442674.776	4269103.466	7096739.344	6016336.232	15998433.41	370427.1009	103263.2854	430949.2104	104910.9966	109085.4027	120893.4061	120091.1778	126254.6234	3252885.147	3249220.148	3253531.323	2904343.808	3323500.657	3225552.136	2466450.894	3857385.521
capuride	491870.7862	192731.5634	299215.0544	256814.5305	308515.962	305513.0389	20440315.49	16668850.11	328596.8507	462584.2451	303749.7396	249647.4604	3402885.27	3324147.591	276209.1283	278893.7711	360770.8394	335772.9508	9387536.282	6666062.733	8813930.051	6732527.672	317627.6516	233155.1312	301728.7223	249974.7758	379928.621	399506.694	343309.404	404097.5362	3370132.858	2300934.372	300171.6369	263774.8167	384895.9548	323631.2638	359588.6602	338870.8605	397723.2421	392112.7006	311626.3002	281098.2842	5942489.64	4729695.957	300483.1371	258010.2802	300334.0176	250054.0219	355974.7995	346293.6343	298186.002	260238.3531	5889788.957	6149298.497	304275.5978	276927.9489	300185.9664	260815.3506	339854.6876	279014.3278	274080.4634	209030.2196	11396539.15	12132805.27	304515.1658	244991.1379	320435.3654	245209.4349	539933.4265	377624.7123	293754.2485	260802.1579	323117.7913	296575.002	302121.108	267671.3749	1635185.312	1202577.786	4355919.841	3966755.32	253273.3623	239145.2928	281704.5029	245584.0525	317031.5097	421550.4508	385316.4248	407668.8384	1145895.596	1284313.004	1121866.833	1005357.142	1102146.531	1038378.112	984472.8006	1484555.289
Pipecolic acid	7383174.062	3082947.704	8227968.943	5194059.204	16041935.44	8200784.486	2268371.764	1386662.917	6331347.982	3370058.541	14462222.34	8474383.006	5810468.609	3647762.17	8082620.194	6732217.535	6865878.37	6775746.35	5762697.398	3201013.873	9749341.434	3723207.049	14275166.81	6178204.359	9811174.312	5749717.266	8259479.069	4289509.696	15533424.95	9663294.563	9693791.262	7180027.285	7998074.452	4986893.783	15815889.31	11643746.16	9631998.164	7693214.136	7191812.966	2889100.959	11748019.82	8272501.929	6889119.458	3634238.291	11517522.57	6888618.836	13787356.15	8668939.322	9771802.636	7466825.81	12957790.44	8333416.376	5984676.906	3761127.553	10239362.32	7150474.941	8493873.458	5961988.143	9354519.047	5812901.601	7778327.448	6946401.163	14461894.08	8785929.748	7686742.664	5513113.773	18475219.72	12821252.28	6797331.099	3906362.549	10310807.05	7011853.683	14998889.59	10388312	8104749.848	5296308.092	7638672.035	4520750.434	14831966.96	12192993.37	209504.3393	766658.3155	231739.95	285145.0038	108865.8239	176163.8603	244635.7078	180210.3099	9397274.915	8663538.556	8605075.377	6758169.03	8379726.629	8981712.714	9577217.457	8404154.134
Hopantenic acid	6157781.363	1300002.39	3399106.31	1346356.036	8889715.577	4490886.788	1337317.069	598461.7833	231680.9127	255071.0583	358148.5294	1022515.487	295769.243	249782.6044	180922.0551	247658.4491	434185.2537	222481.8499	5725949.221	2644225.733	1865818.061	1102824.905	1977450.917	519437.2492	391654.3155	117584.8719	175990.0266	67296.4934	555169.398	280001.5314	2007361.409	1339356.775	1127074.203	1018152.349	749218.4846	431222.5584	96377.14737	98198.20132	5083746.568	252664.2558	448219.2902	252627.4734	7605621.1	2697070.981	10324511.73	4690291.705	11042348.47	6751296.28	779501.9533	362126.3978	2009301.385	887446.4754	751795.9669	509334.8492	569144.2085	303812.903	548795.8	1167549.713	5572795.719	2170066.418	750362.8602	1131412.698	734627.0115	473480.9461	1012655.455	481958.3482	16628275.4	9622269.427	365946.0344	147068.1524	972530.4324	977923.9864	2675393.152	1205726.979	5984529.496	2066716.094	248937.9909	104774.7687	1305148.812	797744.5309	28879.02699	906033.0768	874705.036	42857.32019	601400.916	142455.5174	188451.3352	181150.5191	2684257.802	2691632.404	2556106.322	3648361.336	3296815.302	2158870.766	2758162.747	2696354.37
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol	7862228.266	3391442.855	7714955.382	4952602.744	3130543.464	2106199.28	6501466.365	5340993.387	5240185.362	3404552.721	5438205.39	3565716.284	8720918.495	6592341.068	4912903.75	4245099.935	4696618.042	4154750.89	15135108.25	9181376.101	8892180.127	4995037.101	12540977.98	7536537.511	7403306.294	4663697.879	9037884.272	5174333.926	9513124.644	8016147.481	5811473.283	2534721.491	6527418.7	4597284.887	20487220.69	18621363.63	7109864.928	6019387.804	11827754.61	5766085.355	4337071.432	3296002.518	5075905.69	2023835.853	2444922.26	1540229.424	1749207.365	1634241.272	4945622.559	4358838.003	8474267.613	6587572.239	3699935.649	3490581.359	4283976.733	3043124.211	4988537.369	3477588.893	3728621.809	2080324.429	9443853.639	7019376.586	8053500.106	4529276.793	15885226.42	12398029.58	11629546.22	8528545.599	6175614.925	3489572.732	7367394.219	4708138.238	4350750.87	3141718.739	5893645.194	4599904.326	8409621.341	5091432.88	21960427.88	19110320.93	1142133.25	1057584.195	934203.0385	1080026.303	1202844.942	1295799.081	1336835.99	1417700.384	2738813.934	2651909.419	2745291.793	2509535.743	2367115.686	2694530.275	2552411.39	2866599.87
N-(5-Methyl-3-oxohexyl)alanine	6752366.892	1565822.107	8682046.966	3381986.824	11150971.76	6604804.597	8708751.488	5553629.046	6254548.803	3144726.718	5711109.868	2897184.735	2420387.859	1619816.977	3051202.754	1710633.718	5592167.253	2544828.159	11595725.17	6535308.716	2860802.419	968465.2733	2835871.634	2375895.924	1672469.372	857098.9198	1445718.305	618127.8453	1850643.626	1246555.186	2798645.002	1073203.842	2542032.444	1444849.394	1222843.903	769301.2012	1206273.939	909648.0033	668177.5289	159415.3795	13027846.19	7693547.644	15999902.69	6888115.177	10883953.1	5631951.819	7965263.046	4944229.145	5062002.841	3147020.586	6223622.803	2516988.334	10263278.74	4992758.255	2830371.296	1936212.039	2282060.382	1031980.351	5650895.87	2202785.35	631645.1725	236511.7547	2613372.163	1486423.14	3023981.678	1615373.789	3119078.365	1443676.657	671346.2744	345185.3854	430078.0983	207582.8804	777881.5064	514542.4195	1787142.024	777838.0724	486942.039	196973.1321	3044101.173	2167412.675	79911.30029	75927.37662	74524.59027	75010.2657	75765.47537	530742.7587	81334.47034	692930.7313	12285976.81	11933367.96	10830067.18	14125324.94	13336417.77	11804698.13	10337312.08	13060061.1
(2E,6Z)-Nona-2,6-dienal	1803367.902	836880.0269	2464645.727	416868.0666	2812213.489	2286631.131	18872276.03	9141177.635	1373051.361	1006503.632	993863.8115	1155816.027	8352182.845	5448280.437	1178344.589	503076.8385	1340959.845	667036.4731	15925527.87	9566038.103	8996408.672	8714123.917	1403727.484	740329.8327	2097114.008	1687849.815	1389603.856	987356.0511	5586184.605	2462370.848	8315067.665	4696759.25	785243.3494	1070258.561	1075758.521	647314.8399	4170495.375	5485017.534	2264278.032	421837.1119	764508.0563	574623.8715	12249638.4	7089964.964	1185707.524	1089622.647	1511835.247	1403993.446	1767596.214	991286.9447	1476715.891	1012309.959	9906121.661	8140933.118	1412118.651	897550.3043	1611736.769	717436.1356	1264754.653	1220789.194	794672.0606	977398.0518	14143368.8	9555910.451	1111643.113	941563.3638	4459103.788	2020144.163	667978.5498	463126.4291	12047003.99	12563884.03	1349428.578	1051692.827	3060286.628	2448408.513	5274357.624	3860992.539	15809204.1	14703464.1	744611.623	92602.0405	713213.8729	316263.1282	326734.13	675830.9595	713010.597	777561.5233	2473152.33	2495096.987	2409713.004	1987092.083	2295770.523	2042996.266	3046821.59	2283211.372
NP-006862	1643972.82	493312.624	3547496.655	2581786.389	1836659.154	1199033.545	1705462.204	1651075.181	1562044.677	1122826.793	2508417.712	1426997.702	2560453.928	2261746.323	1867055.272	1368930.032	4187314.374	3563310.184	1822202.457	1148059.398	1747919.363	999715.4033	1395901.738	943419.5099	4617103.018	3385133.429	1385479.024	878656.1584	591575.5139	735857.2662	1846557.057	935823.6802	17378982.11	13135869.65	1940477.326	1735162.391	6444945.992	4515561.718	2010279.53	350749.1448	4009325.217	3469378.61	2045304.344	350591.6631	2220153.368	1198630.811	1302373.187	1247689.341	1876251.149	1197899.636	2926771.139	2608827.635	2683413.349	1881237.369	4383885.439	3391545.075	2926726.965	1919822.797	2196098.034	1097344.208	501360.5308	755786.6257	2953263	2160196.698	2050895.573	2967371.99	1003793.81	506024.5416	1272983.026	534916.1754	3230408.751	1876392.751	2388818.312	1070555.486	1786895.829	1709043.54	652874.8646	601442.648	2170453.472	1790337.661	143995.8189	332238.4956	415866.6884	129452.8394	439117.4993	159002	196443.292	266804.2504	766855.7911	1221713.495	1247453.049	925584.7024	1162194.493	1013408.1	918509.9577	385156.9661
2-Butenedioic acid (2Z)-, dioctyl ester	11106670.83	4185115.501	10119806.29	6885755.889	9986339.724	5948477.739	3624153.289	2462624.387	9281623.381	5888235.932	9426015.289	4756568.293	11443062.49	7958500.31	4305849.116	2815245.379	4170191.748	3529780.147	7461728.595	4476982.702	7582862.614	4228202.228	12603044.43	8001451.706	4546843.748	2533764.96	5819992.796	3598667.897	7680380.178	5804552.822	7160785.303	2554208.719	11111270.89	8176712.83	4777326.254	3600847.568	4383547.937	3286024.37	9786971.61	4578499.784	6576517.177	4860551.626	5534306.475	3414785.579	8777379.065	5485621.085	7722983.704	5821931.605	8049135.275	5808182.035	10896021.97	7390364.973	6027625.726	3754852.563	9466322.905	6189635.059	12003721.45	6719366.221	4804371.146	2564787.81	7598681.481	4664346.365	6501657.945	4375704.367	10863166.45	8830494.893	7978807.694	5920701.845	4870834.026	2805458.409	9167579.456	5510187.515	8015649.484	4869031.773	6672062.924	4659750.241	6446378.783	3480458.352	9376508.333	7221857.616	84017.6868	93642.20507	88806.56387	108159.5625	137282.1599	173418.7776	260185.4738	368794.3947	1570472.316	1620293.101	1551168.701	1870396.456	2181371.106	993744.1201	1363922.506	1905842.975
Caffeine	3738473.971	18738402.45	14055410.32	9584183.519	4407118.585	5893216.136	5432735.647	1356766.137	9820804.723	5387929.927	3281677.661	20389155.96	9463531.525	6009550.333	2623261.293	4272795.401	6011849.544	5077663.883	928727.8424	3685627.416	9497174.353	6440504.23	8427798.048	1951987.19	7476862.723	4475605.764	6781846.143	5258994.844	11265518.36	5608426.094	16144197.7	7158887.297	12141144.04	11908047.14	10890766.36	2791523.866	4618050.864	5641052.562	8288761.375	3299419.962	7252467.466	13033959.14	4773124.93	6884540.014	1138994.587	7237627.373	2412168.31	5039253.344	3927482.928	5265165.004	2344377.755	6131884.222	2779888.393	5874508.55	6432201.481	15559843.13	3806148.293	4624650.414	2692510.287	3895554.734	5453145.778	8900749.033	3869561.207	15809492.36	7475048.429	21376590.83	7141286.18	20412419.74	8192095.644	7270346.189	12989960.14	10237656.96	8485327.556	18706143.71	3823769.336	8671965.656	8177005.642	3934842.742	1359233.683	3877499.153	346211.0641	152821.8952	142594.7905	133465.2844	101079.2462	70563.9278	62334.17309	59249.47847	7162294.693	1771476.907	4714301.885	5905399.778	4165973.449	4928193.009	2582920.96	4714301.885
C8-HSL	1261808.195	339557.2428	1138310.733	686846.7644	1656357.78	570062.2123	12261976.65	6420381.729	2018555.79	943342.4669	1563571.548	445991.8572	7435416.721	5041338.3	910036.8234	474629.4771	1019041.62	536700.6243	19020898.27	12344376.78	7550434.237	2862364.406	1569885.879	1071611.949	2876798.089	1269238.776	1120274.342	422107.4447	2330292.909	909356.8675	12134733.28	9884975.18	810576.5652	430138.9632	2271438.036	1262601.753	6431293.758	4742783.382	1395418.982	382588.522	712917.1497	404979.1076	14777197.53	7884365.749	1933998.385	698272.064	2107898.371	1006473.33	354664.1069	411506.575	1783526.094	777011.385	9883931.088	5393429.365	981218.0223	468701.9859	966618.3825	374997.9552	1063571.611	312022.497	542890.6652	260785.5651	14095034.31	10577280.36	4160036.101	2738985.302	2700863.341	1707551.022	891508.8582	315999.4242	8469964.958	4027685.964	912779.1821	548314.8505	3212133.612	1663079.446	7176873.11	3492494.991	8019879.862	5843677.73	226836.5866	254183.2557	254042.7139	274414.9642	254250.6467	233738.8275	250267.0163	292853.5718	2428086.654	2412766.088	2243210.911	2508726.448	2444148.988	2245551.663	2477536.834	2396956.462
cis-fenpropimorph	1895660.888	1219568.07	2247013.263	2213902.133	2762834.126	1198324.999	2135440.802	2293353.847	607540.2481	626536.4944	1562967.042	1290953.532	4903469.631	3933039.753	4765819.779	3715822.707	5604353.422	4223810.944	2569057.502	682785.4504	2659041.432	1671920.028	2476989.719	1584828.281	11286021.77	7813102.044	6619095.208	4747052.712	1066838.18	906605.4693	1860025.65	1124851.383	16001690.47	14864101.86	2593534.665	316604.4669	13049363.5	11021676.94	356503.389	329764.8852	8396109.717	8234892.061	1893048.295	1593563.327	4032827.955	3464603.117	1884827.77	1371011.551	1465833.165	1229931.774	3322342.549	2635391.405	1999587.949	1185596.685	11315459.08	8266768.399	7655640.491	5712677.697	2604156.437	2842954.403	2037455.35	1972131.212	6254115.149	5178973.123	518567.3213	1386628.51	682039.8119	1089323.225	3426472.193	2757496.84	4843578.641	2909302.785	2745473.648	1942235.02	258505.1999	474890.9851	577048.1963	1011180.556	3209329.598	2343595.519	60760.8686	76341.23781	73770.29312	94993.08746	102837.7029	119849.982	159791.9669	196563.1363	1162214.924	1254039.221	985773.0534	1041512.25	1305153.864	634939.9684	1810734.94	528239.485
5-(3,4-Dihydroxyphenyl)pentanoic acid	13612906.35	6856772.835	6027401.493	4247737.527	8475996.917	5662320.69	2822206.742	2450202.258	4213869.444	2882872.402	4807774.705	3692398.294	5883149.408	4944002.987	4362197.449	3145702.873	3027863.997	3087192.271	5152098.175	3790173.394	4636124.887	3144763.302	6868189.081	4356960.341	2036790.854	1737605.818	3753887.605	2835052.143	4301641.053	3108753.782	5200352.048	2822390.656	9495064.167	7378742.71	3445976.587	2946749.01	10194651.08	8237996.422	7953917.006	4191792.573	2935139.628	3090401.884	4235047.678	2762099.137	7324128.658	5447318.661	8212194.481	6437752.958	4165038.673	2990793.113	6140834.902	4774921.599	3240246.906	2339050.545	6474394.861	6467730.643	6588839.672	4757264.53	6473046.836	4199458.482	4189502.551	3227100.678	4350718.965	3011125.429	5120284.147	5110783.998	15826039.49	12891700.28	5988188.661	3454372.799	4245143.227	2939042.004	7243933.791	5222185.131	6347676.399	4427148.656	4098450.599	2349390.235	3411600.325	3168685.709	321477.0033	80969.30427	80221.75409	146363.4972	86095.13318	178279.7758	347596.465	420446.8637	2000354.879	2513433.788	3330424.258	2998006.062	3293894.473	2029430.18	2171304.052	2641491.013
Valerophenone	7783535.207	2477785.002	7264169.518	5130810.998	7231233.472	5534521.829	5833311.448	4106873.288	7078656.811	4247312.444	5885093.111	3937300.436	7454465.237	5652350.867	4980232.238	3652920.932	5283019.91	4601204.367	10651605.61	8228293.783	4201605.752	2413565.583	5201878.024	3419828.447	3902709.678	2786241.007	3462380.442	1893738.207	10281971.78	7667737.446	3443241.023	1518811.911	4072056.449	3126198.44	5931558.232	5003070.715	3764829.574	3429629.864	7310573.213	3129051.609	6035242.922	4579699.625	7746865.226	4443662.109	7250858.394	5493150.45	7591617.789	5970052.733	5742261.818	4189832.629	7427825.256	5936430.489	5908056.027	4406750.543	6180989.654	4771732.841	6165654.865	4023220.305	5875941.424	3908580.248	4701455.766	2967682.571	4684270.417	3552455.965	14271572.39	11211599.12	11664609.85	10186875.08	2552248.201	1520329.783	2966169.606	2123109.334	3555858.491	3204392.113	4812971.337	3435095.9	5650992.553	3783740.484	9819878.534	8064882.626	319502.6616	434047.5756	499106.5736	496885.1756	502443.9184	460478.8909	857860.6061	1192590.208	2527600.279	2258814.889	2602876.398	2498236.202	2903728.459	2199896.027	2443550.427	2467975.279
Fenfuram	1579552.706	603591.9388	238088.7435	157575.128	306202.8381	109639.8805	4205724.181	2865459.942	4278297.679	2709917.96	88901.49453	41635.00304	5834117.989	4069988.539	2705363.314	1796455.102	180718.7833	156451.0334	5435502.321	3320101.845	1051111.163	711344.6743	14915516.81	9928097.17	101337.7389	25603.80441	4895711.062	2705178.795	70011.40726	24328.67968	14625059.39	9778259.905	1565499.456	1114637.058	51788.70089	31914.77711	101159.7515	99949.13103	5056494.107	141107.4858	274968.5662	245313.3929	12879832.28	8823903.022	3482497.091	2464345.024	307549.9619	123406.8858	178556.5081	174974.787	102819.508	72157.40951	11262816.66	7713999.564	327053.4995	237114.1323	207531.9989	105642.6128	4894118.352	3207993.5	832110.2947	509388.4357	70994.60609	185180.5358	10406171.97	6949352.185	545998.2906	357976.4801	180488.8606	87617.64926	1352877.718	831493.7591	245174.1861	161563.1172	11092795.49	7793408.398	190343.2092	93597.40842	197025.7253	137939.5089	18227.96035	16136.09289	29131.24076	29780.10854	15923.03528	17487.07249	27655.14644	18556.63641	1937244.665	1951935.042	1799178.998	1983298.033	1864048.206	1859310.468	2018075.888	1885368.001
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate	1313958.95	791893.7951	413945.4558	305797.5188	438383.4815	361158.742	2988454.852	1866373.169	3733499.895	2260872.79	3254358.945	2123791.473	1036873.197	1115663.489	4559591.581	2724168.446	424137.9612	533187.0292	5823241.177	3280271.56	2145068.8	1023530.564	1452555.681	862363.8559	989312.7644	744174.7438	4618689.701	2345819.11	1471938.547	1129922.124	5488218.253	2419293.226	2674072.969	1969508.227	6313424.495	3728398.315	2537229.424	2382902.349	1456244.254	712900.2503	620905.2783	308782.4109	1916537.851	1252367.478	474041.2006	285261.2882	726453.5063	558394.9293	2073298.73	1364475.075	3397383.203	2273364.321	4380943.485	2905254.533	792309.4348	1085624.998	711784.868	350970.9017	4448776.806	2330954.801	455820.4313	422424.0321	2417921.619	1538257.943	3555654.596	2245892.844	477103.3699	1255583.761	5764511.221	2842708.211	15487659.7	7775136.146	2571432.408	2043855.34	3297470.201	2286950.922	1446723.24	812033.5388	6572720.134	5168393.827	92155.43461	148055.4728	166373.6112	258652.1613	173822.3346	135935.0868	148921.8683	103075.7233	1900149.595	1622624.133	1517043.979	1134585.782	1580881.583	1547062.476	1801462.401	1779924.952
8-(Methylthio)octanenitrile	2300038.615	1134010.874	1082151.24	409227.9977	1326630.197	330217.2349	435991.2266	341831.0738	854939.583	534024.3769	392141.1246	484565.5732	1454176.733	1166358.242	908699.069	738213.1924	488706.6148	497266.9924	924279.5012	453755.9065	811885.4857	735293.7325	378801.4109	308086.6239	732397.9129	261801.5912	409686.1516	309864.7039	390678.7281	384231.8992	424094.9177	593376.4014	1213330.649	743373.5711	407701.2218	362159.7639	345674.462	314017.411	2616174.615	548512.6089	894190.8611	676486.9517	417101.167	327194.3901	771233.5351	300277.8907	1448765.462	421134.2812	1507720.133	491349.9429	1438160.11	943850.4087	439645.7007	854643.4318	398314.1686	362291.338	1066558.826	825499.0123	373703.9386	627704.9583	13926946.1	8844987.086	531370.326	393975.3139	621493.3341	579882.4873	676054.6934	1826149.554	277156.4099	202701.3104	999996.0546	762250.4178	534847.1509	492863.2273	782278.3757	295310.0002	441932.8798	377759.193	625407.0614	518310.524	190684.2046	197172.7759	249609.9317	170085.8658	256392.3654	395239.5221	168001.772	184677.0163	1170200.189	1719910.795	1581167.119	2203651.472	1347458.699	1808278.654	1319057.416	1415876.546
Tricine	3427179.41	1088474.977	3051703.004	3402009.634	9502879.667	6797338.291	1422746.787	1024993.823	712051.6494	2609701.724	6201794.046	3906799.674	11661014.81	7044822.888	1335889.924	4331996.237	5888276.825	1579488.267	1248346.093	2145492.439	3814862.744	1938206.809	7278637.881	4159016.406	5458527.957	1756688.957	6190031.354	2036278.42	5290613.919	3316343.628	3809927.388	3421496.095	9026938.288	5348135.693	4708473.711	4324185.475	5681215.955	3759785.045	6416728.313	1461255.592	6729265.888	4247487.042	6962743.215	3559325.991	5621365.017	5130698.623	8934209.597	9199030.673	2019720.31	3042194.175	5790618.027	3794158.732	5978388.22	4940486.799	9406200.042	5850709.048	8762722.153	3505046.394	1548449.064	2209756.636	3598875.892	2843354.061	4965780.268	3822015.9	5883019.763	5595949.882	13417550.38	8683428.982	3534949.333	2584535.737	7248398.993	4178734.415	6301734.183	6623286.213	13954277.93	10246739.14	8677647.349	3672852.42	2620941.895	4852797.736	50494.26651	45980.92321	48186.11576	52181.5241	52631.05714	58484.80631	65264.39971	76650.86352	6566170.319	5370311.481	9692623.076	8040470.441	10405070.82	2388858.53	6380574.573	8140467.7
p-Hydroxybenzalacetone	14128146.88	6360985.141	4869200.107	3741192.811	2973059.635	1937700.756	2017395.873	1830328.656	5036879.9	3272273.689	6479541.672	3016240.248	5775211.342	5379591.911	4839827.476	4459457.98	2822025.054	2790126.188	5402298.176	3669126.717	6022663.693	3129985.15	6582132.284	4393512.834	3172583.093	2105116.73	4590749.946	3131644.022	5705183.519	3758540.451	4221291.83	2081760.336	15658195.47	12685039.47	4417589.658	3137757.723	7739826.931	6503012.437	8707356.932	4021428.596	3956816.986	3613679.47	2590986.497	1790632.542	3501921.316	2613152.798	3284027.119	2914514.714	9098911.306	5608287.839	6503824.923	5535161.286	2829224.782	1485204.9	7090157.361	4140102.424	5480165.696	3654477.052	3529790.262	2515560.887	8471451.215	5574990.247	4650034.653	3235489.288	4430503.001	4960867.869	6420806.181	5017315.522	7497100.205	4224513.836	3769743.914	3173525.697	5540113.974	4087250.186	3089236.142	2399187.06	4390600.61	2857011.333	3882942.148	4049994.439	720111.3416	4615817.347	4434718.471	155181.8631	418664.7347	457304.1856	634156.7147	761217.5187	1813634.582	2863058.437	1990404.702	2585239.144	3277149.348	2403889.706	1872604.333	2347084.98
dihydropyranone	8652507.756	3425871.975	6285765.192	4078001.388	11365068.74	8263732.502	4975189.947	3467651.253	4449059.211	2624002.346	4428089.682	3397334.23	3878058.081	3235986.245	3629363.866	2555830.464	3945691.121	3281083.483	10247086.66	6789431.868	3453155.174	1963679.388	4595072.15	2986237.789	2022147.041	995946.1794	2328539.06	803337.5153	1991269.714	1311964.06	3117750.873	1725977.962	1618133.589	1215506.835	2162931.847	1578893.731	2175499.974	1030748.36	5691103.084	3095955.202	4032417.452	3126190.683	8965109.05	5393944.198	9644148.416	6829813.78	12612141.21	11155002.35	4565953.027	3265206.472	6034030.198	4548805.745	4249988.744	3577166.276	4848315.58	3495011.268	4546352.222	2671334.053	7951365.673	5139568.337	1990365.465	1573053.434	1613589.846	1075526.404	2396745.684	2130715.186	14354487.05	10692356.25	1781488.031	967593.0213	1380086.94	805363.086	2880634.838	1989082.892	3513182.109	2614889.598	1557396.972	728744.6833	2521935.087	2021844.552	343671.9002	329195.6249	316572.7053	285702.6909	286222.7512	220973.6657	243377.4154	266432.8784	4018940.718	4731933.955	4530892.666	4300342.926	4238819.182	3720840.121	3698720.491	5211487.108
Histamine	6125610.337	1609159.16	7371935.837	3079703.749	7604708.786	4224635.872	15708581.33	7548327.459	15694777.63	5610693.262	5497202.3	2254664.04	11173581.72	5862856.131	10843304.63	4703978.983	10431950.29	5774946.442	11705920.12	5466755.905	10422695.21	3168302.588	9488865.765	2865570.709	11494910.53	3863769.058	17730068.61	5251313.961	18897307.68	6833713.891	7046281.879	1546719.016	13124117.82	5484288.221	13838799.23	5885001.781	13337609.93	5426138.651	14485640.78	3476709.422	5896520.286	3944084.97	6783485.87	2689989.055	6794726.25	3357165.685	7325684.325	3638279.182	13743179.41	7583629.284	4947162.852	2932740.755	4966330.122	2538618.117	8883934.268	5809400.254	6991211.989	2679385.929	11662939.12	3972553.986	4872210.33	1666611.304	6353789.654	2268460.905	7034705.677	2945782.008	12201987.09	5542118.432	11579295.14	5167106.719	10633210.36	4134636.932	5401674.063	2146929.688	2471901.594	975844.8663	9549035.684	3150275.194	17555466.57	6524257.661	68490.00837	65533.09346	66790.95939	73793.09657	78402.64395	87233.44311	103407.0404	125279.3418	3335665.328	2575580.918	3472339.017	4245124.896	3501468.642	3986352.372	3507338.189	1728251.919
Hippuric acid	444954.5679	243267.6371	668142.5155	371002.5348	2216816.501	1389859.165	1024576.091	534839.3971	1390462.587	579518.2684	108938.2439	87702.51183	78816.41223	73081.44478	74044.24145	241548.9483	74712.6464	94016.70646	86232.75241	75483.28929	11049082.04	7039906.942	1204646.374	723958.3108	15466927.03	8240210.964	543481.9474	195348.7449	1180926.239	774933.0342	110543.3373	88780.89664	2590873.125	1534462.217	77094.8093	302905.7519	2026431.335	1635109.561	143977.621	102727.5916	4107203.008	3434830.968	3024902.225	1485604.211	1279400.561	573693.1904	1781656.681	1240869.196	1138192.171	773811.2083	90716.19786	127364.9099	174983.4751	139914.4614	240783.1488	127187.6453	221954.973	141801.8825	83545.61539	101712.7138	1730808.76	1279315.34	3216915.157	2033609.4	7258380.855	6160515.079	2444008.149	2146433.594	1278197.675	595249.8417	146823.8627	141389.3686	108571.0761	83738.1718	237390.7768	118478.5603	109577.2955	82069.57676	110516.3442	102074.5141	95587.40931	92231.08595	53344.65615	49217.66033	52924.23874	55036.0102	85692.63309	69131.40679	667983.4256	752084.3089	739840.0962	789168.7016	864714.664	556976.5667	713781.3485	734365.7132
Massoia lactone	13073446.75	5637339.634	8192205.08	6586493.99	11057984.75	7057668.952	11692770.03	7985239.545	7662321.643	4848817.483	7472128.87	5571503.811	8736468.347	6374834.071	6118239.843	4516691.303	6289870.47	5228391.826	11569964.59	8001546.543	5949631.643	3919370.463	4957758.707	3149762.535	3213406.288	1648406.821	2472577.772	1540319.686	3297659.313	2386281.47	5720197.538	3944810.256	3435542.852	2732139.204	2692196.921	2107624.36	2157805.215	1947346.896	6182379.187	2588641.359	6765762.248	5351392.397	10737449.47	6711614.226	9219030.836	7650476.915	9655309.818	9136632.12	7023551.657	4631015.174	7538026.518	6581521.189	8637919.823	6090946.331	7683483.828	6720986.183	7709702.225	4796539.902	10352697.03	5199945.861	2605803.018	1640963.785	7937850.716	5500607.601	3910800.463	3107210.219	10915332.31	10246976.62	3007524.433	1736241.727	2680018.042	1906658.609	4215288.734	2921077.842	5571541.4	3585006.425	3365925.436	2251598.956	5638435.776	4975898.31	550697.3634	743034.654	730656.0137	717857.4308	881127.0544	762167.2661	761198.2829	961581.7531	6154707.265	6261396.509	6817930.949	6283042.52	6179118.979	6270942.296	5651096.431	6881727.58
(+)-syringaresinol	11134111.68	4576334.661	11158818.07	7036727.53	9888375.549	6144337.638	7494038.289	5683858.446	9315716.988	5410483.965	14547581.16	8689527.076	8138118.536	8307619.795	8355765.454	6514558.146	10272175.37	7952363.122	8108574.683	5087434.087	3386294.295	2085430.575	3191973.866	2093368.429	3422465.947	2114900.261	4028527.012	2122834.921	2760353.873	1821819.53	2993763.674	2176201.789	3624027.031	2872943.252	3192974.11	3469261.676	3543273.311	2829934.586	3015969.619	1292776.378	12805386.92	7978769.871	8545796.31	5285788.808	10214279.31	6597365.056	9413484.276	6947869.999	9652299.928	6898093.968	12974460.12	9985927.873	9286025	5864331.464	11763251.54	10879211.41	10667233.67	6909642.914	6870821.04	5487649.699	2727282.838	2177110.637	3268912.089	2706321.943	3301925.68	2133743.691	2567898.562	2655923.883	5378658.866	3555721.764	3521544.77	2479553.13	3441367.151	2800599.048	2991416.71	2371801.337	2395952.844	1813126.093	4237344.801	2769738.249	920071.8987	1513974.59	688513.3357	577506.3833	765388.8675	514442.8917	765139.5575	1026754.415	6217800.033	5762249.686	6938190.736	7849299.532	6476827.176	4805298.769	6855923.776	6557470.096
2-Methylthiazolidine	4611616.765	926498.3605	3514983.822	2228530.915	6885356.029	3983182.092	1893360.942	839942.8392	9759429.879	4008008.645	4242367.588	2565499.9	9838283.014	6169010.981	6830856.551	3559481.674	10527369.08	6378800.423	8329783.054	3459457.618	7555359.792	2898743.433	4321849.844	1820688.487	14252760.13	4927890.997	8888554.217	3413101.426	8891160.904	4684477.688	2567952.995	835506.259	6475057.456	5237948.771	8816538.852	5368813.661	11951405.99	7954768.81	11250731.38	2601404.97	7017512.408	4782240.279	6587631.306	2672950.351	6967449.089	3939669.052	8619749.915	5335392.411	9084094.298	5723268.301	6226921.701	3298237.858	5632849.978	3024502.745	8793085.259	5984039.423	9002825.146	4079415.599	7781027.331	2900270.327	8360140.303	2763302.051	4753903.924	2531995.203	10339600.4	5754452.689	6267807.815	4007819	10670574.95	4618978.254	9323095.05	4359671.023	7286719.079	4808732.117	14615052.85	7707880.776	13574281.35	5717790.197	12472900.23	5402968.689	52691.79445	46265.39692	45837.25066	46674.94123	44929.41019	44581.863	48551.73533	48590.52393	8130178.437	6575596.172	10512257.88	7943119.076	7829766.909	7806067.01	8984786.215	7390323.673
N-(3-acetamidopropyl)pyrrolidin-2-one	5863525.457	3771422.468	3402762.388	3089586.004	4667610.878	4944795.683	3497482.216	3928325.429	4574792.682	3678186.692	5075965.153	5889415.664	3450117.816	3294669.428	4298483.254	3948932.831	3363272.618	3509353.17	3200804.915	3432889.048	3879055.734	3646073.79	5531117.48	6244117.101	2418341.242	1931189.804	3176751.522	3225210.211	3314696.736	3231428.773	4936773.331	4560787.266	3546035.776	3126123.438	3807421.347	3657478.038	1964873.108	1781128.053	2854484.944	2210975.788	2657772.777	2802452.012	4251213.838	3964597.092	5451628.031	5331787.35	6197555.315	6154526.459	6844150.757	6310498.971	6341407.082	5908882.586	3198085.958	3527194.867	2706852.338	2516973.755	6615080.953	6342892.973	4877924.496	4289005.737	3745250.305	3551649.837	14441045.38	12634487.68	10370449.92	9393338.402	12830964.91	13262840.42	6050979.434	5457822.131	4564249.376	4160949.168	8612725.596	9319295.801	9986728.588	9989678.326	5953434.396	6101028.149	9839154.441	9553375.983	128920.8002	63598.0597	62958.92039	53338.45118	62042.68325	84512.68878	60584.72917	85500.37194	3030493.204	3119431.424	2907788.663	3438239.856	3160812.57	2871074.121	3319858.984	2937302.761
PEG n10	9192580.798	2812837.6	6674237.687	4295110.572	1752298.035	1289187.245	6527432.927	4003867.807	4473708.172	2426299.81	1831747.914	1400497.099	2395544.895	1613365.263	1014081.801	588758.4629	1211340.577	973145.0756	4363643.152	2332840.52	9679777.563	4465362.236	6173893.062	3674842.785	2069049.739	1054093.393	1701338.299	872148.0236	3146727.673	1990947.004	3235407.269	1486494.582	11956461.07	7729287.16	5525175.996	4026902.993	3334035.358	2304206.08	4720574.198	1694992.216	1889488.34	1375570.287	3229250.104	1829326.545	3399752.73	2048124.134	1503818.492	1168796.794	2841835.174	2089690.884	3750856.615	2107260.123	2545438.645	1814210.684	1415733.622	1110744.582	2086533.8	1288800.928	3757448.26	2280553.037	7049015.329	3781025.694	6597610.923	4111396.346	14227043.75	9860479.795	4634084.401	3501908.362	1780829.717	995557.6826	1782570.036	988507.3882	1268806.249	908450.9242	4139860.155	2532985.075	2573067.295	1659413.459	3017469.496	2372690.474	128662.1502	37520.04895	42774.27729	32925.80531	45951.77089	120109.1126	83626.85022	84405.47421	4634173.548	4014789.65	4160728.029	4277679.183	3953063.527	3940490.12	4325743.705	4529915.89
(1S)-1,5-Anhydro-1-benzyl-D-galactitol	5625375.301	2748960.584	3324677.373	2718129.067	7511774.296	5470883.984	2802010.335	2089618.041	2358856.731	2007521.049	2080072.97	1422074.87	1555435.289	1547823.516	1687452.968	1435427.239	1856504.982	1273799.931	5692468.883	4160698.613	1947406.923	1341313.697	2835676.061	1595702.101	1073880.639	684498.3391	716941.3395	569668.7626	1226853.711	1267100.278	2120400.015	1672002.424	1392698.743	1226667.503	1800354.706	1558747.135	834913.927	860148.6694	5457267.727	2604606.02	1669396.597	1003943.649	5012223.131	3252948.569	6652492.899	5523951.596	8594141.779	7120541.793	1761933.142	1746823.326	3228614.867	2445876.225	2103818.551	1502573.506	1798049.89	2158643.517	1973062.964	1385957.91	7169223.937	4240339.836	986180.4368	644686.5351	636470.813	708497.2985	1413066.889	1379153.98	12715011.71	10685639.99	1883601.832	1080112.754	901370.7498	738548.3063	2728164.192	2269600.03	4699167.595	3437379.293	1182304.866	878631.438	1800026.248	1673965.7	122960.6891	123282.523	121764.6957	135559.3072	137800.107	159131.0846	183856.9764	187262.4623	2606354.84	2653047.592	2490900.097	2555290.857	2495124.696	2459090.777	2402803.878	2870310.689
N,N'-Diphenylguanidine	11959933.59	7388044.528	977452.632	1201559.469	4077068.739	4034983.645	3331203.022	2781125.95	8825598.291	6534563.613	325248.0659	498180.7605	2355111.827	1907478.951	1315202.552	1139067.428	325588.6722	337843.1551	6501273.058	4634669.861	8010050.132	7042339.626	3358461.115	3183377.662	2693889.225	3061623.308	3862402.835	3159781.507	4616733.805	4145457.236	1314734.922	1156139.132	453387.8542	265727.8644	391108.0982	280092.6671	455938.4668	466888.7177	694410.5494	716067.0814	527728.8682	308714.9664	2380432.877	1585157.235	2145988.609	1994178.292	1735640.794	1742099.55	5670505.376	5162214.412	2851467.947	2460075.253	3045452.947	3849861.37	310368.2348	281778.7572	796905.8609	1506276.627	740536.8971	748176.4138	549312.5274	232359.8095	1545404.746	1960206.208	3228114.917	2711355.886	1081017.558	865279.2165	6397661.9	5260696.417	302141.5182	252523.9278	311994.4519	285566.7412	344014.0096	560594.1037	825927.1216	633917.03	2378853.501	2202787.63	114477.5872	100759.3901	109202.989	113896.9561	94962.41762	104765.6126	110072.1688	117948.7655	1627023.368	1799854.379	1900866.059	1997504.209	1818100.364	1702871.668	1816361.554	1692040.884
etilefrine	181290.3989	111595.818	109915.9482	109499.75	166346.964	112266.3004	9876500.697	8295475.778	301603.0979	131246.3634	92579.91258	144022.6329	7130621.205	5582767.933	104438.6879	130326.6255	134867.2089	121899.2311	6225586.08	7386663.152	6625427.752	5403948.241	115738.713	117918.6636	206540.9667	120051.8876	271182.8976	102475.9661	406662.1186	135503.4162	6907690.219	5352949.611	87926.84693	117585.8669	45580.88672	110659.509	66623.45001	61871.66284	217366.0785	101666.537	124761.5233	154286.8314	7764829.136	6013305.167	121688.0404	83980.33836	77472.34917	123004.5191	119158.4975	108605.9251	107415.1391	109446.8454	7181898.588	5793498.744	126330.8666	130295.6718	48848.82319	105130.0259	70601.44116	113071.0183	134058.0991	131898.3748	12650169.37	10803867.21	111584.2144	104480.0141	1239271.999	108276.9321	205701.9847	67273.91115	139822.201	133146.3408	220184.3924	115163.8636	3382575.058	125442.9212	3186025.54	228330.843	9207492.79	7108136.473	43175.53568	28336.74408	124049.5502	107921.023	91056.55148	87450.20138	23984.27329	30428.91916	1457592.72	1466185.955	1624627.901	1563356.751	1513999.675	1493550.947	1533284.21	1465024.194
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one	3435370.468	1395499.41	2467226.223	1299627.316	5562218.801	4320356.993	1376415.38	1185321.561	2139869.495	1490664.995	1354839.53	905656.9136	1675691.45	975889.4335	1243281.285	587230.9618	1497198.493	1357195.731	3775084.654	1256862.677	1199688.414	450268.173	1271817.073	504768.8352	1043257.459	373570.9908	1032047.293	593224.141	883248.5298	469530.9971	1761833.011	812674.0134	1536013.297	694884.6309	1041057.962	567908.0436	802731.206	220955.6713	2382021.969	691995.6843	1748340.972	1079881.476	7175140.179	4591331.372	7919777.772	2186718.705	11864978.62	10782579.34	2569699.946	2262296.496	2153081.868	1134648.211	2046844.9	1042015.52	1801336.089	1368708.664	1928904.294	1117314.222	3066573.932	2274370.209	747056.053	253189.5908	548658.9136	489304.7244	1091295.264	553441.0203	2171919.114	3171417.138	1007987.935	541146.4357	1226415.981	546596.8661	3520936.212	1852839.254	4923889.75	3574829.386	870962.1046	408387.269	1384498.017	794817.1006	125249.1111	418332.1425	17694.43604	65496.18304	440592.395	140095.756	48968.14976	71256.82421	2131471.806	2240731.674	2265866.638	2673978.632	1398171.065	2065120.56	1701240.586	3009555.452
N-Methylmescaline	1269297.33	572221.5035	678170.3629	408231.7105	1121480.459	786931.8658	10607594.36	6912703.256	1455894.998	801772.4879	984358.254	750645.4132	5635614.463	4483056.394	823363.2249	696891.9069	671898.5405	805186.0243	1674591.083	3194720.637	9900406.592	5193150.272	369744.9567	259441.3939	1086361.877	997051.3285	910321.2241	561799.6614	628744.9199	485854.7595	12568512.44	8261332.5	453455.3533	336486.1954	413453.1433	316370.6143	610483.1348	479382.0936	548628.0129	333786.8752	451053.2844	519885.8746	6946540.081	4917889.243	772706.7086	623916.5504	710364.1842	622927.0379	674451.8775	546770.5398	945875.411	842995.6831	5717819.787	3412716.077	902750.0767	770852.7314	558458.2765	544161.495	750009.4362	563904.4818	681793.6978	609085.9628	13166633.67	8777850.741	563967.1116	451603.3287	1685152.7	1931430.296	360867.3899	225258.7715	803761.7166	443276.2599	353853.8933	410640.7179	891013.549	914059.4851	7712844.296	3827736.294	6925545.63	6473076.335	441966.6163	339559.4234	112728.6895	104250.54	300013.6641	112334.4697	308190.3923	107059.9139	1437126.53	1827193.667	1457686.456	1408776.427	1569934.208	1581174.518	1578320.475	1537891.483
trans-p-Coumaraldehyde	8667780.202	4873009.058	4155595.074	3875944.347	4636640.103	2656333.583	1883068.302	1376897.08	5431677.008	3882044.26	5713587.337	3968768.243	6445221.94	5095643.909	4087060.347	3329231.254	3188893.59	2996906.209	4729776.172	2964613.453	5538954.929	2767591.003	7990868.265	5535779.954	2748295.653	2372040.214	4234927.792	2629835.789	4897977.369	3836846.846	3813693.678	2686752.068	10339696.67	7718370.799	4780728.302	4331563.783	14337236.47	11295210.3	11122247.65	5100851.756	4666396.028	2808343.702	2723680.552	1737622.285	3396391.393	2855700.106	3426262.333	2638143.39	8658927.174	6721092.15	5517109.465	4311078.264	2467931.407	2043732.946	5634952.718	5666107.316	7659157.607	5340619.927	3266795.239	2521284.31	8172682.009	5394757.375	5993770.591	4086592.55	6557329.455	6429005.878	7128128.392	5473996.339	5846235.603	3514877.698	4605265.036	3680187.92	6822393.155	4745076.16	5434055.897	4308995.202	5066491.334	3241380.185	5175185.454	4633705.833	5084548.671	4423563.77	144053.9212	4748390.955	4891068.064	349462.368	496800.1325	546242.7143	1673707.015	1735265.514	1560309.669	2146444.254	1997903.13	1466151.512	1618735.819	1787710.342
cumidine	672612.013	149766.1665	238617.4636	101885.208	215174.173	68164.63193	181913.4022	69152.67053	191186.4306	46757.70876	96099.6945	140047.2305	257786.5535	187243.8497	257298.3748	72141.63721	185250.9987	231001.8897	95162.50381	65686.68859	127511.7649	65941.43643	286540.3395	185266.3608	250460.6563	60205.13632	70889.89939	159946.8906	75532.24953	74399.43775	84348.71859	280515.2034	274180.0592	85996.87774	218181.1635	373395.307	70684.88228	54624.29621	112849.0266	48418.57418	239059.8225	422475.4419	237545.5336	102556.3978	12435614.11	7538732.11	80042.74068	99576.14129	199385.3345	71145.48665	105556.2521	78715.73278	76454.66215	299590.9521	87560.60468	91166.50303	95037.71773	324816.3035	88084.14846	220383.4902	212062.2979	173132.3635	224245.0989	294406.3535	520665.7953	457404.4066	354513.126	169136.1754	75973.15158	64172.6657	77540.49141	272096.9113	89309.40439	188798.0599	91610.7354	134718.0482	246618.0494	55779.62137	422864.7138	538930.993	364229.9141	37265.15425	192762.5983	236631.7016	218048.9123	174778.8672	31138.84666	200393.6927	251895.0195	74138.61331	255563.5154	88629.92928	254767.5812	223620.411	88629.92928	275417.7914
(2E,4Z)-N-Isobutyl-2,4-decadienamide	675229.7467	332448.3027	639478.3849	1311064.65	551944.1344	472260.6462	9384799.029	6389835.277	797680.0364	472173.9903	712661.0219	504665.6563	8341222.94	5940624.964	482399.5509	498228.6654	614158.7236	547819.9017	4585923.716	3097677.254	5425826.244	2957967.449	539560.7166	380750.6333	1617533.515	924167.0062	2326992.1	1311595.803	1230005.116	1221304.646	4028308.503	2030951.795	590680.2909	512571.2323	628661.6026	458340.5904	744958.9968	579176.5429	1049858.451	340408.7549	681490.735	559426.9082	4704408.927	2530524.07	565292.2805	425333.2498	540934.1504	466064.1378	416310.1753	372335.3633	1365493.721	652136.9623	4370008.194	3228938.013	586134.791	485297.6733	600563.2227	717147.2704	538817.9818	384710.6944	956864.7383	483736.7382	9809904.761	6148917.088	867946.2879	728688.4589	3510695.11	2621888.417	514029.1135	285917.4753	724217.719	492668.8896	798161.3708	523863.898	3594152.462	2131419.494	3491640.279	1853934.936	14383537.01	12013163.52	140501.9963	133966.9274	145575.5177	148071.2635	165991.3446	176148.9929	189840.178	199628.4175	1219291.009	1017187.887	1006277.266	750814.2125	1030251.558	924357.9935	1100902.531	1209422.92
Serotonin	1690758.78	515929.8604	4271955.393	2875242.873	1061498.394	625010.0006	5463554.61	3436540.176	1668593.93	830245.2053	1048774.835	728092.0841	7844595.606	5428218.988	961615.188	699082.0995	1707196.733	1083608.75	5058222.233	2675234.336	2732250.905	1207570.516	464161.522	189764.008	2303794.962	1136701.884	2706336.559	1195644.947	193685.1306	100019.262	1804615.735	732215.7215	1931835.52	1238050.787	762034.8613	524740.1489	2856391.229	2072693.518	4761408.477	1546321.514	2738561.639	2136420.259	4824106.923	2882780.031	1526498.093	1025057.26	6466757.526	2767748.598	285300.2763	196693.1478	3827318.467	2175251.025	4542627.749	2904910.976	1506093.608	1117901.398	2327553.552	1242725.772	13165693.6	6305871.257	6121101.322	2122075.92	3857022.403	2380126.049	684793.4878	571827.8569	1433612.01	1004102.994	3181221.365	1616714.04	8146171.166	4530779.834	996533.587	597194.9524	3693410.542	2657697.238	1299123.793	630415.563	2327511.378	1579666.981	114334.1083	76769.18156	115718.6805	196518.1119	71790.09874	95144.22929	73643.51521	90126.69801	2160733.815	1732448.611	1921373.184	1804055.301	1761498.88	1821701.614	2353043.461	1791253.929
1,5-Naphthalenediamine	5702432.416	1835447.222	5871219.126	3788845.587	7167663.1	4566663.035	4337696.63	2168795.84	7516251.628	4166821.138	6888733.649	3525790.089	8089588.138	4773894.661	6773746.187	6901315.041	7632726.387	6269021.061	13765911.53	4063218.354	7030244.568	3682609.424	5136870.94	2398496.168	6672043.526	4186839.586	8252316.654	3435232.179	7029229.494	3790424.931	4338905.463	1816160.649	7077354.329	4065205.523	8559300.562	5127496.987	8887767.683	5977420.604	7942001.053	2365066.522	8433706.756	6986209.051	8349862.483	3308419.497	6744846.674	6375223.08	6846888.461	4410102.631	7452594.309	4603999.227	8553383.171	6228028.402	5368061.491	3002200.533	7454035.844	4880260.821	8107371.434	4437715.036	9277902.816	4326489.574	6130778.883	3308987.509	7919871.297	3976312.654	7533143.69	4888066.183	5831543.415	4089005.188	6052585.327	2932864.107	7954884.11	4563857.462	5838575.761	4534824.019	11539257.92	7576269.5	7665719.145	4179057	8142707.825	5705760.018	115522.9854	121639.4653	44722.53382	45759.22317	46410.75435	44698.1162	129396.7186	52142.69254	5511047.689	4914648.468	5030134.457	5529706.519	5058183.783	4823325.371	5649390.347	5189659.455
NP-021018	9147046.697	691775.6888	733080.2263	298908.6571	4154503.394	2885133.744	4525656.697	3197900.058	466509.0277	308577.4478	4060831.825	2744729.52	9832044.282	6445735.631	95676.13499	324827.0548	441785.8768	203158.2344	220205.4767	910687.5847	211289.6455	1178510.936	8759288.289	4929297.904	253417.9505	258124.594	369842.5611	213166.0834	6496908.849	4042318.32	92858.9268	693999.6693	206241.2707	111552.0473	123327.5729	1442686.67	435480.2107	165126.9379	1134798.419	1761029.114	409385.4677	590885.3304	5685027.578	2937060.463	1341808.611	663225.2864	7197349.463	4979740.009	413932.1029	449034.1111	96106.91148	2178915.853	238029.2299	1198335.505	574825.928	532629.6346	629358.1057	1099245.451	729932.733	277095.6919	113659.0962	277727.0877	561153.0802	587214.4062	158186.1918	714524.0292	549791.0064	12026633.39	278661.0424	356584.5617	353825.854	334247.4425	156332.5823	818067.9965	226931.9629	1175797.572	150713.0023	1852719.958	220105.7719	144757.7232	37009.34225	179487.34	29731.20726	86091.38802	95353.13982	142567.2122	28565.04368	136548.8118	233627.2455	286248.2833	306595.9101	428484.66	331522.7394	313350.5274	211064.6273	392155.5253
Glucosamine	331957.8231	46934.48515	1321299.007	620535.5725	850081.5555	382159.663	1348619.366	315675.5555	3005243.563	723107.6945	613528.121	277223.368	4143654.928	1350214.599	323297.1274	150222.9598	946995.87	473661.9264	1507144.424	410466.032	1238736.341	313785.391	612147.6546	265111.8398	1487524.572	431454.1205	1937436.402	555173.6964	3209642.767	1147330.902	720618.9747	184313.1669	1925316.314	871031.6372	2133083.187	1065022.743	1464752.847	645182.3117	1860097.565	311724.3454	1206120.399	708703.4284	3191902.223	1017896.435	555228.6671	224304.8365	1363891.374	694447.0608	3324127.201	1066863.108	984452.7105	383201.4829	3114054.991	1327924.65	1926237.842	1077675.551	4657700.513	1653701.971	476925.1576	70634.60819	3208307.619	628888.8428	539501.9731	226303.8173	10885481.56	4696476.458	1197120.802	719460.5975	4139740.481	1092594.313	5478254	1822623.425	1107891.369	632243.5412	11027479.6	4365402.856	4315431.273	1108580.474	699848.0791	311447.3462	48884.16559	31597.75617	32999.49417	32496.3149	33659.99321	34375.74741	36457.95142	45750.39699	790436.7177	715138.4904	867381.4075	939890.3335	1049063.847	537727.791	727115.8476	889754.7427
2-Amino-9,10-epoxy-8-oxodecanoic acid	11750599.7	5320418.505	8677786.612	6048281.941	8418279.829	6075448.843	8300868.295	5999611.078	9490581.877	6213222.52	9524776.425	7628577.924	9719329.503	7301364.904	7994589.554	6291568.948	9559736.7	7931396.2	7134226.212	5049148.365	714728.5494	408368.406	948735.1491	632363.5375	417281.6713	173588.9373	248667.5502	155752.1428	301344.4515	264249.0273	576241.5293	287791.2893	759534.5931	455853.8612	387461.4047	389807.2805	460018.7543	333747.8209	1109620.851	465331.9369	8514529.487	7353710.373	8502627.124	5700564.687	8034797.44	5910584.021	7981855.402	6326088.89	8931376.195	7441489.045	9653527.192	8012699.302	8024917.359	5952375.596	9873361.838	7586089.185	11197261.11	6619355.553	9415229.645	5426151.804	214701.7066	196219.3007	714444.2181	323290.6407	607966.0548	369917.236	3536926.637	4051759.232	262532.7903	315054.8406	350832.5815	173591.8324	654419.0621	790713.1968	1051531.992	951007.5072	429943.8459	221357.2113	453045.6475	252853.4078	344883.5121	284539.0848	82462.62424	69585.74496	209746.2057	65936.09742	67417.30972	65206.09326	4672442.241	4915887.228	4451982.75	5270236.188	4475216.784	4640801.055	4827853.472	4768344.85
PPG n4	21342164.39	10790332.25	5342001.583	5420149.48	3801709.261	2972977.881	3439408.051	3009814.645	5841596.12	4499922.048	8024018.656	6781163.399	5800255.361	5442785.884	6710632.467	6043303.186	3622581.083	3681030.016	2553099.776	2384605.649	8460305.205	6346698.034	5372419.211	3911412.773	3336131.29	2406991.587	4476054.212	3511198.392	3638218.147	3083626.593	5438900.656	4213133.366	13395525.86	8800507.178	3123999.665	3439033.511	3688438.243	3519859.308	4664977.141	2374193.371	6204326.413	5993952.552	3783176.717	3553702.277	3738707.885	3928906.88	3531057.868	3608933.417	4239502.956	3991702.893	9832248.6	8542185.23	3447924.023	3939466.434	6771992.995	7316315.434	7723700.065	5121721.562	3999776.17	2923350.244	6769719.81	6402283.455	6647021.944	6137748.424	4471007.296	5002642.716	8336709.641	7651934.024	10096252.06	6310305.472	3634292.957	3107331.411	4929273.304	4021283.636	3696471.346	2955919.958	3964602.923	3053916.405	3510247.426	3678971.431	2704969.192	2753847.569	2664242.328	3449890.934	3110461.227	3941780.741	5752250.995	3906469.396	7145094.783	7233428.821	6024818.224	6397326.836	5914634.444	5945740.039	6724116.634	7013979.56
4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzoic acid	9694710.081	268926.4651	4885542.679	615273.3556	7216135.617	79854.17587	8598458.574	236617.1557	8042310.631	80463.68327	3463487.373	484445.0524	6262698.731	1370878.731	3242476.007	272511.4152	1491681.482	461821.9485	9209257.349	887981.1174	8123843.566	749507.6391	11858753.36	57776.67102	5325066.988	263379.0601	6508251.033	580266.3536	11362345.37	110742.9443	4478267.651	951300.6347	1269302.854	87317.18097	4098358.306	92008.89046	1547865.901	848915.549	3648348.427	79804.66199	4748572.781	2187379.742	7111292.154	156567.3824	8432508.039	60808.34586	10296649.45	115580.9458	5834696.681	111007.4804	4430300.148	637996.198	7264816.962	156355.7305	1073782.795	580198.636	3537057.68	95652.34926	4803059.245	104252.3089	1960191.543	67979.62238	5178831.086	831007.1262	5430784.656	104556.2296	4673696.984	2146740.728	7510797.448	408326.9773	1805377.23	157753.7817	1657303.253	286514.4168	3135979.184	68185.95864	3100526.888	385322.2271	5921877.927	4379002.792	39363.11568	55327.87726	35404.06646	35277.07661	41677.90884	33542.89102	54697.33485	51422.55501	3338565.233	2952122.917	2786433.311	2943864.584	3005158.918	3075496.984	3180862.11	3102618.828
Dihydrothymine	5785432.73	1651549.732	2437339.283	1440828.52	12031702.85	8453649.715	797431.8134	470882.5605	4406547.393	3157436.741	8794673.125	6364667.437	5220305.154	4900811.124	7006454.838	4777205.249	3512093.235	2530914.677	1956043.868	1230830.927	7332850.117	4114743.8	3228429.687	2224103.075	3342884.237	2319439.166	2796306.262	1452874.782	701913.0654	535825.0873	3208854.33	464052.7387	7739160.536	5277392.043	557388.4441	465687.2148	3622982.257	2272755.613	3375491.609	1436761.614	1792871.236	1551381.365	1972246.678	1148760.668	2536430.922	1920715.829	5271303.097	4017879.319	3281416.884	2435653.291	2538990.855	1820162.927	1996361.422	1381121.193	2449816.236	1955319.785	3425213.195	2283008.922	2137416.525	1115297.084	1675492.367	975694.1724	1192992.314	884251.4291	653853.9937	451938.4752	3749662.74	2962962.598	1488555.287	825023.9894	1150767.967	732881.3269	4744510.765	4153136.148	1109945.213	772515.264	1603104.99	1109608.664	1501384.941	1534637.529	54440.78037	81139.25863	40235.34016	38056.137	37416.64623	69671.44601	33261.38556	33920.23977	7337057.33	6721676.6	6604225.725	6296256.321	6507242.706	5883347.143	9580837.724	5498922.092
Pogostone	5935886.816	2742329.215	3898703.363	2767731.599	7093350.368	5371419.048	2725957.357	2237215.472	2439585.992	1700893.405	2353337.989	1360341.413	2055343.273	2056836.065	1816255.678	1303628.381	2900205.714	2164038.196	5701553.803	3949770.614	2491887.717	2023143.823	2473418.936	1562666.276	1330054.629	1161366.501	1204643.932	657839.7283	1430824.772	1086229.799	2464834.79	1150891.337	1525867.179	897971.5817	1960863.847	1585381.115	1071667.275	795632.5429	5301460.356	3810436.152	2083700.753	1664059.553	4634295.464	2941396.843	6895940.404	5652407.864	7665013.97	5745314.871	2550241.476	1420172.592	3513187.183	2564806.314	2009278.528	1340225.11	2724764.756	2525609.375	2145833.145	1495975.232	6077729.19	3753202.379	922505.4039	906822.6667	1290840.671	906672.0719	1156396.476	1128183.817	11499762.51	9331057.256	1678832.982	1095338.021	1082157.251	796436.7579	2734478.272	1975403.817	3804053.324	2414238.101	970268.5885	593023.0376	1512166.872	1433963.541	136484.8967	128867.575	141022.5821	152620.1681	168243.3472	169454.1257	194633.094	219144.1846	2867553.074	2686986.482	2586670.687	2256517.003	2582253.057	2667352.081	2619455.866	2914218.5
N-Nitrosodiethylamine	2270754.118	957051.1879	985511.7679	684646.7779	1005625.905	795604.4142	936059.4863	810900.0119	1226698.993	161703.4713	1355952.533	1077413.395	1784251.66	1195024.178	1786747.91	1334991.865	2068045.346	1675959.505	975157.0005	645961.1644	1200619.031	590145.9937	914857.7323	664686.1271	1023195.99	669296.3871	961085.0705	187465.6564	903703.4117	604973.7508	812055.7955	519433.3862	3264374.649	1482710.967	1489195.107	903974.5085	1575942.402	1172625.555	1140328.896	626824.8078	1624584.25	1368223.189	743206.6904	542470.5459	764098.1565	598157.8637	628274.4968	287863.688	1044733.874	811319.8535	2050844.435	985246.3806	788405.8633	620436.7729	1841330.684	1494363.682	1482565.378	1014624.723	1386838.59	787509.569	711724.3488	376766.8872	1160261.25	727666.7638	1243641.891	809771.2483	1256271.544	1072610.325	1442876.674	1006113.562	1432866.794	934085.0244	1739910.83	1208507.785	1629479.308	972206.1023	1826067.339	888732.8635	1431791.695	1434745.763	61647.26493	54420.87772	51831.11987	72915.22621	68857.66454	48124.42599	48620.31223	55752.08804	10493742.32	9904918.712	9686863.475	10292524.87	9775866.161	9097379.165	9425989.638	11374571.4
Diisodecyl phthalate	4368144.053	1992039.255	3430460.713	2621695.41	3321578.635	2277376.406	2162216.667	2231917.513	4988277.722	3552027.786	3522180.25	1753721.631	3609246.802	2460233.461	3100765.485	2053352.197	2922180.063	3263046.179	2870169.003	2097257.075	3011464.332	1975213.884	3183432.279	2113620.31	1520262.838	1760986.977	5783127.741	4663136.645	2499388.383	1646313.082	1667580.475	721111.8729	3071355.994	2252402.225	6196707.844	4797446.538	3181325.01	2696725.083	7981084.391	4370788.375	4344969.839	3615156.72	3547092.757	2174995.72	3463561.034	2189916.882	2503319.22	2529629.729	4953011.197	3772513.129	3718899.705	2447201.531	2663005.042	1975643.549	2811138.29	2018571.158	3322573.955	2182582.966	3404062.209	2534652.795	4908000.988	3247561.267	1502955.327	1728109.777	516106.5826	470339.5145	1843857.804	1241395.678	1690354.021	1410774.592	11331340.85	7737903.783	2006447.66	1454722.559	2090151.134	1836417.237	2856099.197	2185921.669	1494346.262	1072906.741	1357903.874	1194255.66	1043716.684	839508.615	895363.326	842715.3864	1102006.95	1435195.221	1673278.293	1258790.747	1403702.308	1268121.452	1494534.881	1531377.762	1342282.986	1639514.672
Cedefingol	5695820.875	3890228.769	4793470.826	3766239.158	5093933.001	3696585.88	7390515.006	5670696.73	9616656.411	6756516.491	5164435.821	3319621.86	6108584.186	5114983.545	6120333.36	3906582.038	4878370.781	3872687.94	7223102.396	4976496.698	3992385.434	2467688.119	4117837.64	3336731.066	3025193.459	2178867.603	2728612.72	2383708.47	1822139.553	1775594.862	4117827.258	2186997.775	3774099.967	3728361.1	666585.7149	702216.2284	4065006.106	4006531.772	3815294.875	2970340.514	7304457.022	5725428.459	7022883.218	5594747.799	4797638.983	3422260.775	2797738.128	2628760.826	7286386.539	4730066.697	4631274.096	3896203.933	5650607.323	4461472.07	6769816.528	4681780.694	6352968.003	4577942.527	3357297.699	2873606.34	2132169.574	1867840.07	4491315.14	3617096.944	1656390.729	1709386.099	1789565.294	1768668.269	1901269.451	1306202.642	4621673.194	3316686.052	3339636.123	2772223.966	3370799.97	2680200.158	3952677.373	2645379.318	4582015.896	1313033.856	2608364.423	2391033.026	3535373.707	2006525.356	2286063.155	1580961.663	1807749.936	2213195.353	4318976.553	3470660.943	3347425.049	3454987.63	4344928.558	3197761.525	3905145.473	4618982.237
NP-019360	5377279.026	951807.1541	3493427.1	1878519.017	5966818.248	3628700.707	2137664.475	1167281.727	1920021.983	800811.9416	1822109.564	730927.9247	1822260.841	1010279.544	850236.3584	553463.8978	1653381.212	692707.3073	4011735.317	2559683.871	2546054.701	749638.7944	3197370.747	1312454.078	1132632.188	383999.1489	1331433.426	561165.3557	1970172.563	1137999.03	2363173.079	1242741.222	1729052.062	722227.3238	1639323.862	1033882.832	1601665.729	1016643.959	3056932.422	491188.9884	1611799.222	981663.5841	5031951.393	1711097.743	6485331.556	3694982.213	7252864.727	4854445.316	1738684.029	987891.0156	2212633.682	1375530.557	2309038.161	1123424.641	1960976.28	924773.6791	2122210.68	758271.7714	3213398.969	1151211.464	1196964.082	555344.3934	2391789.81	969309.7935	2481244.187	1448007.699	9670277.943	6260596.165	1583399.987	794838.2731	1325473.977	407777.4497	2041718.895	1363382.658	3852551.679	2266804.229	1500167.682	422485.9128	2566185.54	1863830.561	224845.2993	202164.3527	164914.5534	183363.7172	199431.8827	181358.6749	134596.2315	280580.4382	2207379.928	2246970.533	2387253.211	2546187.732	2711238.44	1774069.41	2194330.894	2406084.477
(2S)-2-Amino-4-hexynoic acid	3285468.074	1048744.73	5350410.228	3288109.928	4088238.633	2988693.523	4754226.226	3010409.249	2731196.109	1533488.377	2257665.412	1515427.273	1688213.906	1124561.097	1374084.213	927052.9418	2802989.432	2018609.179	4621456.001	2221654.378	1773540.821	1020152.813	1267334.483	1049937.406	1455697.44	817754.7519	796442.209	442644.6512	783069.4356	511063.8704	941475.0664	508040.9646	1014546.093	650288.1521	464853.5486	367512.1182	789950.5196	722961.1315	405639.017	77459.47535	6922552.689	5472186.526	8137135.568	5425598.327	5644433.404	3989717.572	5101928.598	3503824.166	2751110.761	1793852.391	2309522.137	1396160.048	5172142.54	5759729.461	2012935.167	1386784.586	1637189.413	948841.2606	2212217.941	1358174.527	578485.7427	318024.9962	1718820.57	1125130.717	1777730.567	1258314.004	1264852.123	1171043.143	663011.2208	342985.8695	375145.1726	222209.5677	394050.747	457896.5255	1548816.3	970756.4964	523290.0395	158293.1805	1156616.86	980817.0839	403863.2504	329902.0841	331398.8318	69641.35097	68597.76664	332488.1648	363817.2707	351104.6429	9793491.362	8661214.994	9436162.055	6943743.633	8392957.915	9423267.12	8617670.405	9889366.86
S-Allyl-L-cysteine	1882547.482	516580.8141	1968751.201	897958.9787	1318603.906	697945.3342	556220.1258	339059.3638	2103142.727	1055777.523	1104286.045	779110.1617	1746952.194	1661060.733	3163754.648	1601491.862	2487377.587	2109383.198	1677139.947	752155.9345	4401831.085	2166786.483	1911576.358	1362217.01	3089230.807	769580.8276	5091606.616	1661136.525	3082626.577	1419067.757	1886184.474	1008144.1	5834492.89	2775200.314	1922363.679	2872009.67	2667000.348	2532260.464	4078934.946	1049661.525	2071383.652	1636848.609	1428348.308	969420.7525	2228849.254	1308921.106	1801072.501	859841.5549	2499321.448	1705273.345	2431856.859	1490367.76	1067256.922	604352.6639	3042591.293	1874157.201	2715566.899	1449862.913	4268682.031	1713231.847	3321350.518	1827500.1	7244119.202	4610058.056	4136240.144	2955713.753	4713912.462	2310282.389	2757898.835	2935638.326	7492596.369	4515768.121	4824032.139	2375856.839	5784709.544	3437871.954	4905441.495	3105781.59	9182835.645	6931003.094	55260.35363	53042.34819	48222.96186	39859.50806	43940.73276	55432.79139	71453.11074	90845.16813	1377677.325	1199450.11	1876434.376	1278337.134	1031517.952	1693527.878	1588634.684	1078068.601
2-Hexyl-5-methyl-3(2H)-furanone	8794047.736	4533975.513	7556458.201	5254973.443	7895274.491	5725321.897	7314847.951	5632151.1	6763372.495	3980783.302	6651799.935	4815442.404	8110456.67	5505405.178	5900363.481	4450031.97	6183335.561	4925112.211	9061848.28	5460523.941	4263407.742	2853187.33	3875092.541	2548911.31	2787937	1517769.978	2548118.118	1477696.433	5076330.94	3606193.772	4366853.796	1924839.265	3426699.423	2448025.234	3521995.807	2978395.367	2858846.556	2013014.054	5089121.493	2429829.785	6237248.878	4981924.543	9256050.72	4890338.371	8060667.278	6254248.7	8617689.387	6847827.098	6301671.975	4499948.056	7688641.937	6153891.313	6371068.281	4034308.897	7321823.617	5249891.905	6664489.232	4542487.967	8909236.301	5208408.182	3360929.62	2086026.141	4111307.733	2782906.327	5528922.996	5173924.083	10503367.38	9077990.872	2478618.197	1460970.447	3018327.704	2026422.303	4083256.819	2654022.682	4312626.503	3416430.28	2893594.556	2002755.524	6078479.048	4705211.535	702485.8766	726793.5946	838822.5146	864108.4168	1042755.796	915916.9964	985070.2416	1154561.203	4965198.628	5138345.127	5484317.26	4972814.846	5683414.457	4858715.526	5275061.161	4982141.216
4-Hydroxybenzaldehyde	4010105.891	1111102.963	3356171.653	2023090.242	5236563.976	3131749.201	2155211.019	1064760.837	4472726.974	2116971.018	3020988.369	1940591.064	4755492.069	3471635.608	5340027.667	3377759.362	7417699.234	4852088.948	5885281.764	2714196.516	5846285.731	2365515.358	4837692.887	2804215.964	6047396.8	2847898.855	5486839.248	2393694.785	4870251.235	3196978.903	2887187.899	1327841.712	4873721.244	3259213.669	3911683.899	2530886.379	5787804.013	4144236.154	5357506.574	1617584.357	4534079.494	3544842.125	4221564.588	2746695.399	7039335.088	4886218.401	6536786.254	4611910.04	6230086.105	4131704.413	4008998.109	2356124.695	3693598.761	2515223.84	4266179.758	3972207.1	6710295.608	3889090.688	6585035.328	3099254.068	5376608.052	2634963.895	4997247.257	3048203.511	7071341.166	4314716.419	4320150.043	3283002.905	5383677.238	3231240.275	4812950.916	2833699.644	4168983.899	3244614.981	10737350.95	6946243.13	5709990.933	2806706.659	5132241.181	5612110.653	36647.63814	31450.82995	72853.55945	28903.85346	71471.77197	27371.27624	27752.07114	28396.70547	8177194.523	6517016.532	7390517.604	7508673.748	7538065.921	7795830.232	8478909.699	6528762.161
Imagabalin	4141731.474	1412232.391	8123800.214	3807443.066	5760158.944	3635665.498	3582703.249	1513365.004	11123145.01	8588917.736	1429321.923	751953.5045	2801550.637	2156556.227	1920235.958	891398.7586	1910600.872	1352767.168	4733929.819	4055601.639	4564510.551	3357769.716	5913296.993	3395621.09	5761477.978	3733906.949	5203491.807	3750918.453	5686581.671	2732415.9	1210986.948	489104.9857	550654.4633	370451.9623	1075920.712	523371.8989	2326139.929	1757958.777	2528042.584	979828.2069	9463459.521	6700068.095	2186257.571	1540832.702	3757724.033	1525971.331	7179774.567	5035972.301	6453623.286	4395553.59	3482115.57	2144909.618	7486047.014	4367351.512	2270822.821	1619756.378	2119024.518	1394671.147	1253587.23	657461.7566	2458605.65	1191280.824	2221299.487	1175399.136	6784793.783	4798045.034	3466226.202	2236792.023	5869474.382	5227161.716	1662286.858	868580.2766	1263481.464	839850.5612	1497434.736	815311.9626	1744158.425	1000179.27	2658034.202	2088437.272	67169.06871	86223.94305	576974.446	664511.3069	50528.35928	501805.3967	534826.865	48213.61144	3141177.163	4125113.925	2758905.886	2643171.508	3086330.296	3495218.364	2975653.814	3637115.491
carisoprodol	87511.08208	71831.60575	92620.66693	86161.35461	91850.88822	114147.575	5516302.973	2872856.971	85905.69566	137258.4855	130809.3527	132176.6794	4869971.962	3003708.1	90379.82055	77661.23915	95326.30462	79292.65065	5710504.38	2664827.078	5536712.372	2887959.133	147100.0815	81679.06781	171246.6296	115568.1249	255433.9341	76098.50307	324739.9188	119639.7665	2930326.019	1135496.49	87455.95092	79481.82894	100704.8132	127282.8964	128404.1045	83265.3647	116547.2669	86892.32914	96823.06728	91258.04102	5046986.208	2159474.424	90044.90252	78273.21251	148946.9267	109863.0789	89050.71359	80432.5257	180939.3501	114052.4127	4977257.42	2779944.196	97847.17315	82550.78383	90107.8461	85601.71299	90027.82375	71915.32777	84379.8099	78474.58921	9840469.257	4971887.452	93448.13892	83205.23816	1185449.684	588103.5854	147147.3715	99608.33956	171372.0585	80550.16365	192457.7252	81865.85319	2397000.668	1237966.26	1286015.898	443878.7029	6036818.613	3826942.332	79304.57094	58871.49053	56341.60474	55457.73017	54872.96244	50363.1742	53728.36285	56310.36746	1284066.212	1257566.569	1272247.535	1238311.641	1196259.271	1198120.052	1277492.14	1319977.021
2,2'-Iminodipropan-1-ol	7487681.144	2273641.422	8201738.79	4064000.247	6313737.9	4330928.779	5918472.429	3904627.158	9135882.485	4483004.256	6604061.19	4384102.662	6423823.942	4314573.572	6070447.655	5229942.283	6424456.766	4335572.48	9583075.206	5163770.596	4514392.296	2225349.783	4339846.165	2580890.942	1752669.701	805679.5017	2570717.585	1095053.79	1308369.73	805565.5269	1373551.561	547388.2277	4212615.253	3477419.373	1724316.615	1639961.465	2033799.301	1482703.357	1251363.763	280002.7555	10331265.55	8093770.74	6909985.848	3872545.947	6383078.464	4104170.598	6160501.769	4399685.058	7959368.681	5431109.608	7440994.019	4901732.594	7787386.298	5595126.426	6458054.447	4839549.835	6517725.791	4566539.214	6459780.701	3570306.826	1739825.755	746545.5952	1871995.311	1457867.87	3824608.201	2531319.951	1848477.387	1465390.773	4266827.045	2653066.581	988016.5404	548740.4722	1041055.709	990317.3479	1399198.172	764472.3707	964166.6687	474140.2988	1892629.083	1516772.044	230281.7351	143841.7509	1377732.535	197091.3277	211054.4978	98818.24325	130029.5362	258342.2671	4150284.114	3808439.728	3377860.305	3619464.151	3143689.853	4481692.945	3575762.751	3937094.845
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid	8255346.509	3361896.869	7207465.914	4428816.708	5985462.419	4189859.444	8825816.748	5857863.417	7985982.581	4076163.769	5271996.711	3368922.551	5421776.518	4410072.084	3345353.963	2241630.86	4111169.9	3276852.76	11160141.67	7240505.377	8337205.858	4217388.931	4849601.211	2826671.574	6356758.753	3907527.478	5775131.205	3568907.679	5212374.039	4497942.204	6077722.502	3541726.241	5088557.862	3671682.325	5543156.103	3644042.913	3262891.973	2311835.884	4015209.067	1793535.498	5347279.402	4487962.786	8335358.524	4723383.432	7523989.123	4529194.745	7490389.953	5549337.586	5804496.918	4180750.359	6126361.178	4263657.498	7099233.05	4716279.407	3804636.558	2949131.262	4005332.69	2193858.744	6392434.105	3300621.506	2975765.916	1807719.57	7922445.247	5016647.859	4345461.74	3457047.199	7747918.25	5382164.514	5694752.372	3122327.374	2203191.875	1415239.223	3139420.635	2121668.646	4431337.622	3149982.582	3372770.01	1800075.501	7043545.862	6345124.531	442719.5114	323060.496	377912.1663	410084.9136	369265.0564	353760.3357	365851.6966	387417.4697	4384643.832	4249202.351	4106414.734	3792783.625	4652945.353	3855590.849	4246008.938	4420705.382
L-decyline	208681.8406	249717.1932	404840.0528	266896.5684	426015.8284	182279.294	9986413.707	7262571.746	651097.7687	369606.9596	179306.9029	214170.9999	5092924.553	3710282.753	208301.3937	225075.0144	149063.0869	153410.1388	4683345.826	2951583.365	4916401.615	2944769.947	322272.2998	233130.7383	679475.1647	366689.9229	504848.9631	330539.5688	1450072.33	1071448.055	3721649.062	1586935.69	316310.4408	154621.0786	246967.8294	251150.1158	1136844.528	856233.7657	407644.9581	200431.6692	175814.5033	135256.7434	4891914.883	3036922.61	185020.9491	176055.0235	183710.9588	172893.1437	174208.4003	133219.2672	272387.645	154859.3015	4768359.587	3254455.023	211190.0452	164048.8722	419366.8669	305514.7871	179328.8908	133872.0194	189295.1296	121657.1507	7531458.298	5362784.481	865769.2546	729101.3732	1697049.912	1161791.99	204870.3007	160537.0941	3251850.786	2171614.228	470279.9809	323944.1234	2306946.273	885230.9204	2495602.85	1449390.596	11572099.14	9193684.969	276427.0531	51567.52934	268279.5531	53343.36605	49061.43875	53793.27689	49443.1709	56371.14158	1148641.266	1059493.841	947452.0542	1028922.931	958683.5073	1029282.534	1117999.618	1105367.088
2-[(Carboxymethyl)amino]-7-octenoic acid	375614.1539	268017.723	282407.8619	91797.1959	373610.6843	78486.02318	7491910.978	4900262.827	180259.9629	59975.95266	338683.766	294923.9758	4888819.485	3563000.302	202226.7615	70500.34821	125525.2475	139944.9134	7371426.895	4787148.796	4991208.192	2541283.212	279663.5452	286538.8665	188311.4583	261484.9193	271547.5555	228588.8026	318344.695	189948.5533	5556310.982	1914094.248	239563.9887	243716.8136	193067.6902	198118.243	236246.6719	122889.2636	100310.2921	58310.74923	332665.4055	99174.99735	5931580.159	3444367.432	89901.68346	295231.3711	90732.82453	305078.991	188827.7845	96961.32805	327288.612	102549.3167	5720239.652	3641308.9	103453.2561	223629.0917	93823.95347	208201.0332	79238.38862	73300.03632	101386.8746	86696.44139	11075293.76	7253501.675	290607.3379	307346.5241	1001200.64	845336.3235	295023.6248	204669.7585	133193.0935	75722.61452	88826.64737	91479.50634	2705569.578	1555285.189	1180609.105	546606.4758	7155312.424	5057476.708	72179.82116	252997.0538	190862.6106	217314.4059	198297.8299	138848.9199	112724.6419	109152.1741	1139472.746	1018750.063	1147521.998	970713.9125	989678.6358	942553.6669	850338.3179	1342890.013
PEG n11	5113586.996	1468029.957	4589503.519	2957905.159	1006642.198	695937.9444	4662907.136	2602565.001	2869035.551	1489786.923	1329093.206	830521.7072	1765000.217	1187865.559	671193.0134	386103.7055	769013.9242	489577.4872	3188123.362	1571485.057	5979969.076	2898752.471	4157591.891	2320651.138	1392886.18	787476.9629	1163413.873	555804.828	2248567.583	1452780.061	2259754.206	927708.7466	8604466.254	4481258.508	3801628.471	2599286.337	2221403.545	1562078.972	3473916.866	1131783.259	1368802.367	976987.9887	1799199.72	1020747.412	1773530.597	1150088.632	856121.9199	581127.3453	2400681.403	1513229.335	2082837.594	1311697.266	1768567.872	1066442.013	897970.9156	619767.7411	1475854.85	847149.383	2493019.841	1390273.015	4437234.97	2180460.26	3652404.976	2377151.031	10485878.42	7149981.665	3322821.176	2319617.338	1289807.417	679882.0545	1172787.295	621960.1965	860495.1627	605914.8798	2460191.873	1584476.95	2096866.905	1180858.092	2250818.899	1714810.268	52154.99239	52862.69356	84764.97246	56981.12611	75028.67299	27547.76734	26699.14552	27390.03594	2991025.564	2618817.303	2461319.623	2569450.011	2363587.961	2833655.489	2829569.866	2698077.04
2-Oxindole	5262971.064	210595.7592	3306987.821	4164187.56	1420180.15	1943019.371	449600.1133	953768.5812	3120784.985	5050333.374	1091962.854	1710119.646	2676487.082	4397224.968	3674451.606	4494956.336	2743004.048	3626107.508	433085.8648	1135998.467	4350600.603	3564830.351	746547.223	851221.0979	2111275.763	3406824.12	1686574.992	1586130.817	666900.0164	835242.0846	465689.5486	930728.8719	3761651.936	3271680.948	627218.047	776695.2791	1111181.145	1271726.846	899958.1839	167478.4176	2457561.887	2612985.506	1596677.018	2383870.864	3369731.758	3018647.469	927480.19	750176.5528	3619067.292	4573199.588	716832.4234	1498848.467	1269424.488	1915837.475	2038253.174	1836494.55	3602979.248	5459356.37	2780837.588	3285966.337	2037102.361	2114632.102	4972667.95	7458255.57	4364155.526	5275861.463	1258868.53	1140953.265	5475291.147	5607955.178	2033534.005	3934386.761	570762.7216	509030.762	4648509.208	5547228.683	4927076.428	10064875.23	3116722.168	2594081.408	117046.4059	99773.08361	105071.6176	97124.17805	86008.70016	91910.60114	87165.276	97442.25355	1712923.715	1403607.148	2016200.937	1882498.857	1856456.228	1508068.082	1708285.069	1714794.427
(4E)-3-Hydroxy-2,4-dimethyl-4-heptenamide	43987.69926	39938.87149	271044.4946	294184.309	348239.0524	96651.33817	8818649.78	6535440.792	181438.9183	38752.97846	278792.2002	344238.4271	5491356.698	4055277.729	305591.3741	300769.2365	27835.01918	271367.5472	7883259.003	6703977.407	5552594.207	4472734.841	302778.7368	288079.2523	73642.10682	341490.9024	97689.64048	40585.91564	232679.5211	160232.0673	5404741.756	3347908.698	271403.1841	292775.8488	261878.8089	271966.543	41245.00342	361729.2302	103706.5956	353984.0461	298640.9146	318163.1658	5817571.067	4836376.145	316964.1519	331486.9669	263683.0695	286445.1245	264783.167	296656.6959	81622.5347	219272.8813	5443177.91	4628473.25	256128.3138	289903.5071	242871.5867	273188.0076	261955.9663	276725.6628	280935.6969	328012.2407	9460497.126	7906538.776	277186.0852	315843.5871	864282.4953	798233.9049	412568.7797	332527.8463	79234.72567	345506.2941	88226.22155	76523.99679	2474385.021	1398330.149	2345149.521	318500.5553	6797188.15	5407793.209	295324.7639	273760.6256	262954.5243	257358.6125	247962.3797	238184.4877	229208.6504	257952.5765	931980.0114	1151000.168	1186850.735	1149689.052	987336.7382	1073217.454	1053169.309	1067709.313
2-Butyl-5-ethyl-4-methyloxazole	53008.0472	146378.0413	167885.4613	131854.8449	160106.4272	66187.42106	9088099.234	5204704.816	222858.9729	56065.62394	225018.452	156345.087	4572705.771	2966954.547	41240.76306	142317.6798	193391.9562	111967.5082	7281918.143	5503307.225	4482511.457	2990478.222	115987.6264	114290.2247	160701.9759	46993.00275	170390.6497	196990.5915	267950.5266	108881.7512	5085369.404	2330825.343	136582.3287	106681.0762	183211.9639	136478.0333	117200.8033	53502.64678	164355.4813	152431.2835	175293.1565	125703.9088	5955337.028	3466900.121	176408.7363	153016.5815	84323.11758	161629.0716	174779.5952	126341.7774	126159.5589	184192.6237	4955445.261	3028216.385	42104.14486	137159.7503	219877.3797	116507.4885	38679.80518	117379.9341	112313.0804	95101.61602	9163154.887	5840456.518	104224.0329	154397.9973	743714.677	578508.2945	216791.9749	151593.8153	291041.6098	122980.2647	127780.5464	63185.07415	2120087.332	1176228.206	2049965.441	1191200.478	6002227.478	4321506.43	98155.30362	105509.7631	94881.82933	84364.64696	81862.63734	96498.55704	100417.4415	85238.94066	819877.7057	793968.4371	770374.4197	815710.0816	770557.7235	791962.9991	825714.2896	796088.2099
Bethanidine	2386533.634	843237.0412	174294.4217	92283.47725	92213.75752	58722.69757	206667.9767	136712.3989	203777.8394	107038.7849	151696.0378	95184.72584	1590598.648	1176832.742	182695.3722	126547.372	280728.0373	188236.7823	223065.6985	116641.5384	378218.0631	223882.8457	1618215.831	1015418.822	156101.1203	118360.802	654364.6209	313748.028	392526.3639	260003.3961	591156.3435	287858.3275	84311.30131	55003.69118	266677.418	223665.8862	141265.4642	93973.75202	53348.10867	67087.4357	4880953.259	3598269.765	592088.4424	351689.0039	5032523.124	3429583.689	316869.0159	260121.8407	320967.8752	209233.2287	572207.3063	362032.4882	1668382.126	1143033.908	1446182.972	1129013.37	3164803.968	1978786.875	1832060.503	939228.5991	8899243.162	5403867.091	4259341.465	2909716.996	1142680.031	735962.0649	299756.8444	228978.853	954255.7193	561727.1872	37618.81334	43492.45214	38596.45075	59152.96337	193736.7391	140295.7844	1182295.592	666618.4539	2109617.088	1546231.455	35548.09967	40040.91071	45827.83112	40120.25363	27694.76835	27105.6577	27441.71556	27796.80982	469103.3423	445878.7195	415297.7604	427401.9501	385322.5355	464677.5265	453737.0683	451531.3673
Putrescine	4312950.986	3217791.087	2127524.023	953620.6706	2536043.633	2245698.916	2996020.392	2623246.97	3290779.026	3353329.083	3422955.669	1416875.262	2790685.56	2030045.541	6290680.241	3610855.059	2550070.837	2488228.098	2151487.453	2556773.973	4754136.934	3522253.027	3895012.332	2728410.575	2161806.653	3022547.151	4366896.62	3638173.809	3385555.561	3330348.403	1924638.692	1110775.376	1641006.333	1298041.309	5757230.076	5517045.321	2450134.845	3833939.245	5637282.101	4429078.243	7888540.866	3892540.162	2993817.157	1023832.398	4845459.268	1797911.387	2140447.407	1558155.236	3628735.708	3802476.604	6550918.049	3750581.258	1648862.279	1053518.518	4141115.796	1710827.516	2159394.103	1438798.465	3066950.162	2475467.916	4146286.652	4970442.494	3158882.104	2097112.002	488422.2093	1569416.785	1121770.555	2231688.758	2551024.93	2381628.939	2640692.119	1518214.706	2369620.83	2001428.721	2807156.802	1867129.67	3105795.217	2882571.754	2450189.92	3486765.345	111072.492	50898.2632	1237219.79	1184273.979	257008.816	425913.2001	330120.6774	1807640.756	4649860.779	3239111.569	2080343.371	2623092.539	3059176.943	3219376.222	3314800.201	4509646.677
7-Isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthrene	2767026.732	1274616.505	2418728.996	1801723.764	3508621.42	2485011.638	2208177.222	1665025.626	3606008.569	2321030.348	2280394.756	1643728.3	2539045.354	1727731.956	2028824.058	1341353.308	2284476.957	1719919.774	2923624.748	1915112.17	862267.4088	681831.6652	1351066.574	878120.5584	796696.0302	448313.0812	800915.7604	606016.7072	963992.2053	801630.2069	1195803.814	607734.841	8057016.548	5945537.737	840098.5088	733085.9046	967640.7629	1263411.381	2015250.251	919918.3944	2060085.112	1694738.349	2955503.416	1295886.276	3573258.947	2472726.434	3672916.662	2800539.719	2588544.915	2156109.216	2501883.701	1713606.903	1837919.293	1208639.657	2510508.617	1978646.592	2217971.705	1542803.431	2798762.668	1890655.249	778478.7469	454417.5501	652683.5844	504052.519	822654.922	770821.3178	3675244.481	2586094.92	818593.6037	356221.93	810447.136	534561.075	1476639.302	947612.1308	1815718.064	1103026.762	1008697.871	816944.6814	2256048.909	1279345.814	251202.0351	239748.5846	283744.3392	216772.4072	219835.2885	261864.0399	359681.4913	457010.7766	1368063.248	1372689.508	1304657.201	1512924.396	1753434.839	1197906.994	1243256.863	1390600.422
6-Methylquinoline	3982671.538	1001752.878	6049348.674	2199628.023	5253108.292	2649732.292	3064319.691	1305090.077	5163805.771	2090353.423	5014788.349	2527500.721	5875492.437	3354328.018	5411754.938	2810207.622	5787286.619	3574374.204	6522286.032	2607296.722	5458685.99	2362460.13	3892088.882	1569700.828	6727052.44	2537036.994	5477689.94	3497651.426	4951801.963	2185661.729	2756860.171	710745.106	5731392.518	2887035.688	8373738.025	3703327.159	6659393.115	3424179.461	5874536.849	1323801.477	4451911.219	4173390.779	4431555.944	2176026.105	7084643.704	3350474.349	5021637.935	3003034.431	5345709.639	3193711.2	6313632.178	3067084.363	3614164.425	2079717.134	5491793.52	3580552.749	5754633.239	2990215.124	6343566.877	3066620.65	4856121.437	2190897.151	5449725.207	2680894.904	5022262.22	3336984.871	4229896.275	2694794.674	4331875.957	2833353.905	6580359.162	3031736.061	4134337.133	2342940.563	9046696.233	4786542.296	5655139.947	2296688.647	7855602.66	3961447.8	53401.36045	46181.77736	44111.44097	43981.27347	43372.81997	40514.92946	41789.43484	44416.65336	3884009.331	3602128.092	4044351.002	3616350.246	3778787.514	3839938.15	4358088.252	3372073.367
6-Phenylhex-3-en-2-one	7948193.57	3064695.246	6647899.329	4667377.884	7037999.461	4468090.074	5465811.797	3734163.977	8512409.664	4488264.183	6146033.763	4543854.624	6434507.567	4324295.191	6080600.495	3928775.608	6460508.324	5167158.754	5503907.244	4008366.759	703043.9034	436588.5067	1132270.34	652675.2143	617710.268	678754.8845	992547.4787	576008.3888	1278816.501	453099.2071	663611.8505	603408.9712	1108885.969	882202.8907	1058637.363	726813.515	840993.2799	807220.1548	2035597.629	832023.1933	6112142.721	5224900.05	6550381.793	3529272.046	7260512.212	5043964.633	7000161.851	5452624.606	7498737.322	5301869.65	6755763.116	5327097.93	5089855.033	3241016.514	6750332.55	4255039.122	6631235.802	4249437.596	7220758.903	4115660.065	1038101.962	410198.6636	600210.1659	461990.7921	707228.9248	660144.0235	2879275.444	2622346.382	915376.9707	585291.2495	883908.4567	506784.6183	1015412.737	905676.8034	1198396.94	1074945.746	619571.4011	420533.3868	771485.7154	634255.4063	593374.4396	566565.1091	549971.2578	538667.3072	554137.2316	540449.0758	526891.5633	483934.584	3523133.857	3459683.694	3664248.565	3502083.805	3436861.013	3887264.94	3301092.047	3537113.812
5-Butyloxazole	7683095.161	4538768.822	5664296.474	3568746.688	5406054.035	4044689.182	5961857.243	3584355.777	6720816.832	4755057.288	7857255.936	5262235.95	7981997.862	6706931.312	6625040.209	5233268.082	6799028.606	6013445.2	4120838.18	3181257.351	691182.5432	988557.3128	893404.7793	627993.0656	905583.7548	506088.5353	733822.5975	565542.4794	385530.6259	1473000.997	1320822.334	730848.7003	1126316.447	1133011.028	775459.6022	534459.7928	866485.8014	765413.7241	835538.2984	446277.8394	6633609.294	4733873.838	4914190.775	3538739.669	5158008.542	3226253.581	4447855.676	3314289.764	5775206.625	4454014.991	6578807.872	4968046.735	5322644.496	3831855.541	8507383.028	7066965.162	8461279.326	5096640.221	5356097.78	3288500.813	774724.8669	692097.1595	594220.4728	913186.8524	361158.5307	151359.3751	1094518.185	997312.0485	1149033.675	709888.9081	970456.3676	751149.9226	2336587.022	837081.8057	1377932.043	884834.3332	828044.0106	677761.6444	264204.9359	1040171.732	759941.1282	996727.7767	1000364.55	957973.0354	987143.6682	763577.0677	712591.169	783076.8138	4480611.812	4941676.004	4797888.512	4671542.722	5321874.946	5364660.146	4193711.513	4577812.791
2-Mercaptoethanol	5981942.589	2561324.536	3859506.688	2635970.046	3261679.275	2865742.985	3253698.541	2262446.414	3904244.284	2492403.036	5852782.461	4701252.152	5272299.042	4064808.87	4705644.359	3060952.956	8702292.265	6546412.481	4546107.167	2358926.258	6150272.46	3194452.967	3748859.396	2761211.607	4790334.738	2656242.329	3717736.084	1572262.881	3463322.896	2197829.722	2982102.29	1571672.53	5745140.761	4188437.333	5188784.432	3502424.989	6605522.634	6383905.873	4061190.783	1500478.881	6077579.805	5719205.303	4884366.776	3767665.434	3446233.466	2462953.923	3425090.523	3139224.021	3586195.448	2603814.071	4956107.656	3427045.833	4623214.924	3638373.059	6099018.603	4699657.553	4403397.211	3520070.542	3837927.873	2004278.547	2627320.814	1764133.34	4892313.22	3274842.221	6056086.104	4063486.48	5317188.371	4753632.174	4081595.717	2538572.821	4906538.236	3011011.143	4374570.843	4395126.071	5184945.834	4074898.767	4056021.264	2649529.529	4339898.338	3297039.754	1544606.514	1367130.673	1423773.586	1432423.427	1398370.858	876141.3036	898823.7176	817101.7699	658616.7411	873740.1122	739534.0939	1035774.244	714936.6687	911415.0931	841817.6394	645498.2064
ethambutol	253847.5219	128965.5888	79810.42319	93709.81881	111714.0731	85007.21267	5010706.967	8722236.89	196049.1539	125378.0518	84138.68566	92998.40517	2575703.813	1651675.668	67641.68369	77016.96858	67749.56178	53464.49169	4092485.266	2345977.751	4549402.454	3723278.141	176078.6956	102415.3665	586591.6404	341014.5807	124328.965	90752.59693	866217.0837	580655.1721	1677776.835	957966.9933	134181.3847	102510.3308	111615.1247	108030.1561	1416042.911	936149.1228	263912.0736	113023.9901	76902.02131	84084.75133	2727973.578	2318503.203	106588.0523	79464.58129	124571.4705	82943.03506	75301.31338	69797.38454	99286.23313	80273.55031	4181906.084	2862017.323	69863.61132	73390.98226	71930.62785	96069.4376	93764.55138	102754.0719	74016.81914	114284.9359	3713737.929	3340292.281	79250.39033	59136.10569	379539.9467	273067.9324	77995.775	101893.2568	2016920.979	1055643.303	89897.40703	103521.5302	351846.8561	267693.8551	1062507.711	958146.8548	5210411.543	4252734.289	54991.84019	43408.28953	43407.25171	44454.30832	46394.70499	45517.62181	42347.81351	46438.15576	1564085.536	1204971.318	1216643.372	1216235.044	1278855.284	1125939.057	1530354.055	1423418.44
(±)8(9)-EET	351424.2632	1283283.567	1419198.946	2361829.896	478281.7608	1758189.14	7911940.008	7711665.624	181754.0171	313101.9458	228703.7748	63203.44646	2096892.857	1094599.525	120826.5655	285222.1501	488223.6845	394781.2732	4044581.666	2301088.009	2735046.318	1063647.027	121156.1769	1263297.928	132291.2907	265976.1273	382779.9257	284381.5683	194323.5471	59819.51662	1355981.783	725136.8051	1230962.719	58462.95817	162193.9023	54370.54804	123325.9797	97129.584	180331.3726	251987.8196	88582.0467	2085715.443	4473173.12	240096.3815	438392.3105	1038795.143	181865.9022	2184448.778	428549.7677	55038.44447	2589782.386	1230025.225	3690613.397	1704216.35	1213961.621	1589774.951	1133671.756	977139.7161	232888.2215	246874.2325	1451421.986	1111947.514	5007681.567	3292946.279	1184035.376	376316.3385	1029131.629	839476.0717	62223.42215	46952.06492	1067668.248	71340.51811	1381976.529	1197706.525	1389068.028	1206320.392	910761.3517	271317.3845	1674465.036	1149266.865	49633.82456	1291951.101	1202837.822	1031056.198	1114298.356	355274.6039	296884.5891	347359.2383	592161.5752	490449.372	412765.394	488207.608	433288.254	482696.7431	563247.6885	519812.613
deoxyhypusine	181653.3074	76285.44661	217014.8039	140417.299	158247.8759	101804.0825	7876221.363	5073965.271	125490.3939	120794.4854	184573.0988	139056.526	2000150.392	1241630.546	151908.1438	99171.48349	161106.5877	132210.3767	5645355.449	3175251.366	4788601.21	2788978.093	165268.339	158580.3367	118669.6083	93180.31312	121058.2109	74149.7466	184718.0584	130692.784	2758571.894	1260934.734	152616.924	126269.7339	184450.1387	131475.4317	131597.2347	123125.2448	171940.8272	88144.46254	184977.3474	148585.1068	3391351.435	1950118.807	142697.4628	121817.0102	155795.6502	114079.1376	160894.5738	103539.7449	178115.6652	149578.6222	3451569.001	2324006.645	180139.5182	142467.9706	158253.7202	113263.2506	139051.9403	95187.16349	182281.9093	125978.809	6594830.313	4226799.54	215439.6682	148065.4289	303935.2955	197153.5149	188768.6859	75109.91892	150597.2892	110726.683	154453.0768	137823.9784	339631.0564	271901.5199	715763.194	754236.5425	1572285.965	1333466.254	43431.03496	105387.6521	95992.90931	102703.4429	101120.513	93118.67251	65901.56766	76108.01542	857207.4155	606135.8613	582287.5944	555469.5265	702920.5735	660135.8754	812935.194	654173.2891
Panthenol	7779627.515	3637508.824	3552487.509	4451467.987	3965841.935	3342157.984	4290765.493	3595991.857	5424831.593	4190452.199	4096726.475	3532860.228	5152502.208	4081961.55	3764481.053	3363250.324	4641638.392	3566029.74	4970962.965	3214763.013	2171097.821	1386825.644	1933047.744	1142736.486	844652.6113	607338.879	696354.0602	403838.5074	765029.7831	748456.534	619116.1984	594226.958	2024063.038	1670339.603	524313.2498	557877.8758	553091.254	559634.6806	852086.6667	353721.5422	2855748.001	3389741.924	4464827.392	3476239.936	4121998.738	3266282.527	4653715.072	4429739.662	4762371.018	4801753.508	4402101.256	3313784.959	3478883.215	3168434.368	4476000.547	4232043.377	5096793.834	3285038.769	3833603.36	3507792.351	498558.1004	488089.8711	703843.4495	717041.7273	1060987.003	854287.344	1909656.004	1436270.786	708318.8042	572754.1726	346894.4682	328182.5679	479410.6272	436630.7641	352878.145	380389.2229	1271098.375	616639.5348	732690.6064	800677.7713	1663804.312	1200916.672	1307453.322	1139155.937	1191467.954	1133647.894	1090870.512	1155870.254	2865629.253	2935921.28	2497535.905	3183230.813	3216681.388	2805258.421	2395989.803	3129098.261
.	4427071.493	927867.2975	3217956.1	2118350.025	3057795.308	2384066.387	3738355.786	3648246.202	2914489.892	1671394.647	2780826.491	1797526.068	4813973.625	4173150.826	2817949.421	1987050.615	4324244.985	3182564.771	7685126.471	4269865.818	6201599.25	3317017.869	3917499.599	2501059.486	6492183.193	3527656.506	4742723.584	2406917.627	7575208.972	4541469.844	2844166.207	1617632.056	4090079.515	2905927.306	6613992.969	4729140.303	3165686.774	2711165.06	4042246.24	1684253.478	3669080.743	2758451.312	3579827.944	1811945.712	2690310.051	1722392.806	3239957.037	2384005.335	2894059.918	2187377.841	6544235.586	3530595.714	2673173.732	1742008.971	2841500.763	2474424.05	6315724.961	3821436.201	4984384.647	2189406.28	5638264.828	3024801.075	4098750.586	2574357.717	3696696.103	2760699.618	3471385.813	2554284.146	3679250.322	2282788.889	3319186.731	2008885.531	3346705.333	2205396.238	6585950.146	3334582.925	4247440.905	2170641.981	3271945.341	2816468.966	279801.595	1983927.698	397162.1543	169483.8675	149394.3659	1602933.822	226093.5645	335593.955	3912923.617	2606501.883	2726057.782	2365507.259	2385027.849	2994275.661	3371716.102	3257623.742
PEG n12	2880681.696	758083.6796	2972897.553	1613282.18	597012.7396	469677.757	3371392.199	1903342.761	2163432.788	1100746.083	795146.9303	560086.7499	1313182.842	892044.1198	437351.4881	301237.1668	601708.6466	378246.5557	2098125.143	1118327.032	3813726.519	1635647.137	2601742.023	1589410.762	1064886.083	532626.7191	662363.924	571761.9452	1546421.172	938302.453	1451543.433	680844.4168	6454161.788	3855296.719	2685354.318	1662915.984	1568821.93	1038697.679	2211851.989	740482.3208	896354.633	669694.9777	1185141.968	530432.3451	1039110.152	591786.0562	518842.1512	342817.5049	1947602.724	1299217.029	1419536.279	830784.4947	1268242.989	743435.6622	697047.0153	384378.8506	993120.5178	601181.121	1720933.262	832235.9312	2733291.331	1250383.029	2224745.786	1320111.36	7711170.757	4608165.29	2107915.239	1499969.735	837929.262	430344.6878	717562.7368	357020.6408	637675.6087	349041.4573	1494473.8	939890.1923	1478369.409	813087.0474	1821919.493	1255091.992	61658.76125	33436.2873	30884.89864	44366.87048	65099.07979	98701.95707	76695.70997	27434.49896	1931730.168	1738953.978	1557997.485	1562516.966	1500481.241	1769847.565	1855440.677	1766799.08
?-Coniceine	390546.3167	249223.5062	420459.9113	344014.8124	165892.8821	179055.3759	151982.2026	153543.4767	158294.0109	154741.2431	564991.2749	429789.2896	224028.4448	183618.3394	179744.4472	120943.9678	147934.0629	164030.9843	163978.019	185797.3405	242433.6483	274769.4376	1350687.808	1012235.42	101662.092	82379.60642	97022.23914	77944.36204	94992.12108	197135.9759	113645.9521	188135.3263	490987.4015	419457.5197	271067.631	290786.8887	76814.14586	101611.7449	163950.4337	95174.15789	280771.4723	264970.7519	1021912.759	658676.866	205753.18	177460.7386	169340.4393	227658.6206	146133.4927	153527.8561	647594.4451	406473.392	389660.946	327355.1434	155379.8927	221955.6425	221467.106	253707.4451	206905.86	166559.3658	1309288.519	912562.9322	273953.2694	248237.4786	261972.0516	237479.1442	8236237.225	6322010.143	84569.12765	97828.56788	36346.33658	80931.29735	35555.82588	78063.32701	94528.51411	91593.34864	107868.6662	127801.3582	229855.0599	215327.4287	58330.81377	55175.33298	38027.1498	34815.14127	51068.98851	28126.18973	39845.53255	34256.15886	179895.0107	233770.2272	194782.9812	182694.8397	180984.4345	169165.3873	289309.4017	148857.4173
9-Anthroic acid	688744.9903	8607588.7	342800.2468	1289539.615	194874.5086	762932.437	909973.8788	2021250.806	349722.0274	4501545.708	207406.2621	1105369.696	130314.3623	683633.8515	125577.3806	1258243.78	177043.7553	476089.0443	630388.5971	2543600.645	454719.7783	4793588.849	208499.6637	1648142.107	251850.0793	3128039.358	361441.3552	4218878.711	213016.0469	1184755.846	284592.0671	2888951.487	264189.8826	905110.9127	207772.234	442940.7852	400372.4111	819258.9874	186243.2515	4932802.717	538926.1986	619699.3302	499427.5237	2340075.296	264565.5505	1386347.19	270645.4638	547895.2267	294042.9604	763419.7473	287110.1654	1257629.092	290161.0921	885972.7653	296868.8182	378063.1669	263097.1983	1335854.568	135585.1949	2349644.654	353652.0733	2432562.308	303474.2515	1519175.179	330082.87	653778.6168	336572.3984	532607.5463	413761.8335	2745715.061	224097.6888	1593761.531	251812.3249	492293.3568	209061.7947	832465.6075	438014.4517	2696359.48	243571.8298	462802.1996	156461.4457	69089.27267	89846.37964	69695.92087	79240.30669	71229.70194	52373.82724	60045.69251	480837.5702	318062.7527	374494.9514	246580.1338	270858.0984	356791.7694	298731.2916	493472.4193
Myristamide	1959667.969	818163.2763	1601497.81	1415686.71	1044867.699	653626.1311	2569601.391	2325529.046	1636103.232	1194573.749	1340306.755	752989.3586	2851277.892	2218409.869	1362749.145	1183573.514	1447190.815	1073890.499	873121.4581	748371.5967	3076695.765	1792404.72	450008.0502	974708.0887	1845649.042	1137677.796	3018602.003	1692036.164	696456.8012	675175.5971	2124666.315	1673463.935	2279385.744	1700987.675	688454.8851	1625324.705	1256293.383	1017658.259	2004893.213	714788.1249	1947869.019	1374132.188	2926612.907	1834575.612	1844790.172	1684600.701	1219458.666	779032.6827	946252.1572	654474.0267	1979416.664	1541724.971	2605772.073	1844386.255	1911171.34	1529696.318	3841412.95	2230003.829	1466091.356	686225.0998	2025856.673	1823511.056	5030596.479	4127603.245	617930.1922	579455.856	661067.2338	516234.9962	1860955.388	1068875.069	2075763.867	1163562.057	1228247.163	1067907.746	898722.2356	639773.2192	1353705.689	864289.913	1310469.221	7379893.243	92875.83651	95043.0518	615335.2945	138564.2238	171034.9445	948921.4193	1071068.822	404030.4273	1618752.318	1678558.312	1782346.703	2070639.136	1973549.088	1201084.987	1316367.326	2142258.57
2,6-di-tert-butyl-4-ethylphenol	1105714.931	433607.6447	1209162.443	1095812.805	1438015.057	1159809.55	5940411.702	3830574.901	1722106.383	1024559.682	1210641.448	877850.5227	4676670.899	3589633.017	540602.1978	447272.9247	1233017.212	712364.902	3708143.888	2199266.065	3221150.267	1465704.802	548866.9009	362949.157	926462.7328	958966.0948	1356977.89	829077.7907	1017460.37	468657.8851	2032321.36	1348937.548	482732.5389	533060.4705	508418.9324	381311.6898	993948.3483	589346.2896	1074807.875	580784.8581	1152113.504	955998.4217	3252219.512	1918494.676	1108535.591	880257.8935	1147319.864	945042.4429	989243.068	512156.8186	2070775.81	1123282.981	3252926.318	2210365.283	1129597.699	804676.1369	1033622.728	731963.8004	1093333.786	441931.304	388748.9791	306506.8541	4208854.075	2482601.49	920718.5234	528477.1458	2410192.315	1442498.568	447966.8017	251651.0132	429514.8243	310914.2848	810834.869	436510.8378	1530186.369	1168505.926	2713095.536	1357342.163	10119105.53	8887433.948	90431.15611	89377.41661	164073.2062	119172.654	158079.7585	209123.2247	338411.8241	220301.8394	849727.9436	1065598.989	1003681.869	1029127.954	880485.9847	1021289.891	680499.0461	1144093.797
5-(4-Hydroxyphenyl)pentanoic acid	3287970.416	2374555.375	1966649.392	2156126.823	4252832.634	3267211.319	1729827.228	1720371.851	1563142.684	1080452.506	1532807.383	802380.911	1405183.722	1029270.486	1670167.347	1497453.814	1181839.332	1226155.824	3825792.049	2348685.182	1420383.667	781944.8242	1329600.781	1060360.431	633600.4604	528231.5081	541612.2111	461743.9759	638860.2029	511633.2555	875919.5416	925681.9023	936306.4421	762897.5497	572782.289	749958.2031	395870.6803	521594.4618	2452076.176	1441983.843	1188518.462	979349.8059	2606712.139	1999819.66	3759002.743	3232569.88	5123500.24	4555658.247	1537906.207	1144156.427	1427675.998	1807621.576	1201009.04	913732.7358	1649755.683	1509117.904	1520629.924	1269258.199	3644663.186	2408818.039	507876.7637	536325.6636	512394.8303	620998.404	600616.5259	760857.8503	6797014.584	5375591.923	768246.2209	597513.2783	608340.3218	344706.3734	1480398.707	1203535.385	1786469.276	1622237.344	432226.6119	457259.7673	755038.2232	876997.8575	392161.3416	98971.38771	107556.1447	118229.3659	162683.9795	126168.4917	158512.2636	160386.2106	1449664.21	1280778.434	1625796.119	1387259.892	1497066.73	1388198.479	1393172.456	1451885.478
4-[1-Cyclohexyl-2-(2-piperidinyl)ethyl]cyclohexanol	495696.2681	260006.9953	513791.2232	405585.1895	398854.2757	310569.9587	5589248.994	3421052.816	383900.7337	417365.5738	552458.0638	367852.5754	4025172.27	2530109.534	315353.8361	223284.2199	407743.9734	377439.8011	1836859.484	1275254.788	4264139.036	2187903.678	364032.902	292755.7358	1105789.446	734597.1407	1647319.272	927585.3993	357688.6759	342423.6234	2335814.711	497885.9244	406915.0703	335031.1697	397646.7312	327258.4042	536587.6849	634892.3646	636026.7298	204016.5989	416761.3151	366692.8517	3291790.748	1443991.048	393116.056	295323.4656	713224.7049	326328.7487	259965.3402	231743.8205	557913.134	627119.6771	2025791.775	972881.1781	406336.2523	351699.6164	414417.6726	335907.8647	347439.5603	293117.1674	471705.2301	371041.0341	5430152.577	3855717.735	612252.4237	570567.5049	1648606.375	1075313.324	255237.1959	186420.6781	593974.5037	370095.2864	811716.7816	701234.3261	672072.5771	414471.3434	1640550.286	958569.6952	6886644.747	5482769.052	112891.3645	102893.8928	109055.1595	116807.1416	124786.2209	128190.5247	143987.4647	150873.9318	365268.6097	356780.3835	386167.4264	356674.1666	310605.4339	277348.054	623211.322	440107.3774
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid	2618757.69	829316.7533	1214498.019	692807.3104	3427774.566	2286266.948	1009816.096	690140.1574	321352.9319	125490.9707	530718.7626	429957.0193	620792.2832	485962.1845	200497.8629	115812.791	327268.59	270901.4713	1809225.975	840976.8727	1040726.22	551041.9151	907444.0444	376749.3699	201326.831	65950.37668	198202.5079	142354.4332	367231.9678	287356.8489	930751.9055	360019.4499	207570.3133	111733.3636	485692.9922	331753.0675	245524.451	202866.7364	2108042.816	712728.3893	508601.4876	336827.6022	3333813.882	2055093.107	4267859.386	2503336.894	6014845.155	3992295.383	695354.4659	431308.9124	1215252.546	731816.9871	764881.2496	384163.8604	730573.2089	431919.3579	548373.8444	230089.5369	2497453.979	1094032.11	283345.148	90044.25629	359911.8451	179797.0689	640077.6703	345961.0543	5932457.984	4642526.742	196274.9673	89126.47959	254533.144	54687.84899	1147563.952	817060.4395	2343453.07	1600701.014	262336.5351	231796.658	499580.8195	357846.5716	23876.0362	105972.8338	20283.58387	99457.66918	97228.21482	59896.28148	74714.97319	71810.26766	1435425.534	1399174.554	1483769.159	1502485.02	1490350.169	1207588.223	1450838.986	1528937.062
1721512	181392.9306	46466.70513	223288.0982	244643.3071	428562.998	343225.3256	114430.3572	78751.27461	417098.4526	319724.2943	102309.0559	330321.9275	99839.78175	82158.23996	100521.984	80469.38416	224053.5028	236930.4944	333063.0992	353033.3368	137150.5301	240655.3128	380412.2021	102714.8796	205151.1015	215150.85	347978.7386	311961.9319	181273.3692	142147.796	331728.4811	261332.47	345714.2008	78338.83511	172438.4202	169143.5093	269152.1399	316142.7196	333766.5072	310895.3496	192552.8598	225606.3987	121259.7091	60659.75883	98441.79967	70488.30015	97206.13375	68169.91234	441208.2126	99710.73645	118526.6933	80301.45631	117840.928	69522.61634	232772.4205	280345.9571	416318.4762	364428.332	127488.4613	83607.05497	90672.58749	56859.59483	4916784.699	4172399.121	268944.7023	306305.9909	586288.3763	440820.1792	5399077.987	3331865.983	98284.0483	65583.40673	213623.4456	177340.4216	354521.0572	275553.0839	7371860.645	4960980.812	6094842.484	4754133.583	134343.9269	131997.7473	149441.3169	173138.4856	33714.9389	37150.63627	39168.83921	45220.03037	194191.2402	190731.7239	159373.7248	166215.8081	162384.5267	124775.6867	164168.3114	223227.5653
Alvameline	538870.7995	266389.603	251538.9896	172237.5965	120476.4306	96504.73671	120694.8415	84205.69634	110012.1307	185320.464	328688.6362	189046.856	563511.2974	404530.1475	331299.6266	203731.6323	126092.0186	114549.2113	524489.3714	338380.6573	5822894.058	3347048.26	394365.2945	408768.8515	1081330.908	623837.0388	243433.0852	104279.9836	689968.9571	776777.3414	577094.6946	308057.6526	325030.5453	310849.5772	508974.4365	371602.9576	1288280.851	842748.2279	835578.3528	343252.2638	604542.2488	329610.8509	421711.0213	255425.0647	132776.5137	108330.4417	122899.1382	98437.94892	112356.6931	95225.08807	386835.1383	355431.1714	144245.2679	112844.8097	130314.5748	118145.9868	127719.1591	93785.30188	116460.9667	84542.05119	1121819.15	636332.4412	2745273.373	1623346.303	1158783.149	808123.9256	1058846.831	812282.2684	118322.3099	90169.37196	225333.1964	94457.94963	532936.2104	374006.7857	361846.8492	259052.4426	263715.0714	129899.4244	602726.4802	538213.9199	93124.73759	73592.31764	63441.97569	68405.12221	58622.29838	32309.85158	32490.46671	39887.7294	4104452.855	3787526.797	3740053.153	3610009.469	3416288.348	4753262.802	3815823.753	3661483.234
2-Pyrrolidone	3386858.451	1805609.722	4382828.046	2738183.673	3744243.43	3081242.292	2988910.424	1962271.433	2688620.018	1763941.737	4556202.362	3257460.804	2784479.588	2100693.764	3912467.128	2771032.651	4216774.7	2727051.818	3260738.715	1843733.176	3419903.415	2180943.715	4258101.162	2765303.785	2781380.787	1683929.436	3859624.641	2301382.886	2289078.439	1762716.967	3999006.501	2690921.07	3206256.976	2411590.564	2602472.957	1891899.115	2823920.605	2053556.007	3684279.881	1581436.397	3748911.98	3097550.041	3863332.388	2247146.271	4005587.74	3083508.958	3769561.529	3050564.153	3276668.437	2985296.86	4227723.389	3073779.735	2515562.4	1789458.229	3669401.9	2744733.302	4318340.098	2842917.458	4978451.817	2720049.802	3206580.839	2239040.561	5164853.59	3625743.623	4613148.006	3402425.985	5613799.171	4242004.497	3162656.023	1867404.972	4194626.556	2748629.519	4317350.871	3309861.336	4476099.13	3185519.112	3630913.666	2048330.813	4922130.569	4013279.023	42524.40888	38039.12644	205305.9542	213133.6736	203365.6323	30704.54171	30411.38382	136230.6856	2331987.333	2168037.435	2229149.696	2516161.467	2296394.066	2130133.559	2306941.777	2307628.161
N6-Me-Adenosine	2137406.182	1324540.995	2572162.805	2821174.432	3763725.457	2903495.727	2861741.538	2107389.722	2406862.805	2053336.551	785089.8886	794898.3272	499109.0391	665081.1666	844552.4364	737793.473	1142588.549	919269.0369	617584.4988	557876.9455	2532799.984	1565392.676	3685877.096	2928687.474	3035512.977	2257662.455	2886594.528	2356344.167	2183063.142	2474823.777	865060.3901	657671.1041	717554.0917	631432.7634	726563.3785	755367.2583	1192985.269	983339.882	806928.499	430990.7677	3278266.313	3016418.16	3240271.771	2182125.305	3390476.397	2951558.57	3206738.685	2944589.553	3093654.626	3263246.183	475930.2498	713147.7261	533797.3851	601849.1702	1090315.629	879318.384	1000633.637	673023.9906	962651.7376	908977.5834	2820463.91	2007206.6	4442140.121	2885321.446	3917611.215	4691936.685	5144297.385	4041909.975	3367639.841	2311067.453	1062228.761	878549.565	711896.3911	665369.2657	1559487.271	1083863.653	1294569.612	901744.7125	951153.0109	743436.6563	74232.22377	299793.0965	103432.9507	42355.51276	27257.07661	145670.3858	154671.0717	58571.5313	1507113.075	1369658.372	1537258.383	1604566.722	1637941.645	1240392.996	1801402.281	1275619.908
2-Anisidine	2401248.252	777042.336	1154439.54	225426.5147	1232564.805	330398.7958	150951.9772	149913.2018	106030.8664	75922.16264	153850.7065	103935.5928	163051.4533	314240.3705	153259.8161	390727.6179	430561.0041	299261.7695	925761.417	472059.8904	1437375.422	489083.0697	443974.8148	498098.6415	130046.4107	82891.02283	352075.6317	474911.9622	273007.5703	187920.7882	1380261.954	560690.7296	263892.1253	191665.2887	400290.0284	182676.2141	142264.093	103600.2864	2804513.409	1708125.016	717385.1942	136177.3191	1532363.565	628735.3061	5312131.769	3215245.323	2548158.671	2208097.925	165246.0967	111611.6854	424554.0109	197024.3474	145717.7994	100494.9455	217400.1957	324130.6354	247703.4515	98488.61049	1651423.699	428278.7731	326755.62	230276.8591	716574.6851	120679.1231	1005026.355	390121.7084	2080245.226	1561442.407	203990.1684	505084.0715	117203.5977	101855.8526	932757.3052	388071.206	1420016.478	996104.9146	149237.1521	510499.6171	193067.506	162227.9703	139270.1799	127031.1147	525490.4054	523417.1024	556511.9435	44855.17163	100497.3	33862.45006	1145755.308	915154.3415	1281739.106	1235751.955	1687457.457	851956.4927	1042119.15	1155344.029
Bis(2-ethylhexyl) amine	1572535.441	214236.1754	1163818.408	791731.9581	811435.4102	476028.6691	825356.8688	481324.7742	1165783.71	205071.2075	1093830.947	557593.2709	1295243.797	611894.967	987179.7557	584609.1643	1313275.384	792824.1144	5394005.965	315054.2253	873657.0451	576468.8756	969026.4966	538661.4011	951200.0838	454665.6872	940450.529	276056.6519	904065.5453	793648.862	775817.7064	320293.8685	1329304.217	1205888.029	1183915.125	676765.0387	1636527.3	2445572.014	2200858.399	391313.7562	1046366.381	898197.5369	1627045.498	192392.0721	1007144.531	581881.8463	1137123.55	553757.5266	1250350.907	821263.3555	1238177.996	701651.945	1067806.282	383923.9046	985295.1477	701318.2444	1323243.543	613014.0017	871680.9615	264007.948	2627715.762	822172.3699	655698.706	429313.2551	979150.2746	631239.0675	759611.2473	526186.7255	1026358.429	463317.7352	916220.3343	344622.0759	1383796.069	499697.4922	878834.437	672432.1687	848529.9155	245532.3113	804700.4109	642056.561	1878144.103	1338013.746	1203785.407	1123197.377	1360740.296	1135627.6	1126179.097	1196012.938	1549253.94	1343871.514	1488013.095	1796762.109	1375799.696	1570233.772	1435607.325	1503761.494
Linamarin	1528300.217	121603.5422	1086475.878	405735.7916	2251056.548	1384795.637	569798.6079	376177.035	245424.0668	160723.3168	79756.21956	54698.33143	203353.7284	114893.7687	89366.63554	101668.7482	185296.6589	131200.5404	1582906.574	912328.351	665363.9376	102868.7986	434461.7483	125472.7397	240480.3321	28945.39239	185791.624	161288.6267	345734.7921	197177.6593	434708.7764	244175.9611	134168.4804	103035.3993	337775.9993	121665.2409	132205.3715	116749.8847	1759442.136	54385.62588	139147.5216	36045.08788	1608804.629	53521.76064	2642024.377	1411809.847	2601696.648	1822038.041	329470.2235	110851.6172	714499.3987	344359.4179	278482.8457	195283.0788	170824.7074	68651.46394	250490.1162	88924.94843	1632450.709	69413.65308	217319.4551	70387.64406	268451.2416	138775.5092	542473.0776	185312.3631	4629022.413	3132663.567	200213.5726	65165.15389	160157.7324	106483.6436	646930.4001	354182.662	1513367.888	766657.4065	151141.5323	43723.35863	367280.7319	301005.3192	129075.9906	79750.19415	702690.327	65335.23753	1344100.446	51369.95234	16875.31302	69603.25618	812004.6815	671856.6038	787601.4326	867717.8772	678559.1546	646275.6011	802769.3283	832567.4576
Adenosine	222242.2705	118454.362	1564354.036	917250.8488	2192049.74	1695254.854	201993.5627	145862.5005	202698.8418	122673.5249	2049238.067	1404186.804	230029.6812	186052.8601	213407.0944	175907.5307	777515.1814	561325.1561	262118.7686	188692.8291	349750.0434	212783.5699	201954.2472	157704.0254	228380.9531	152821.6085	231239.0001	146888.8312	1431774.018	982726.4251	217321.1312	141536.2443	375418.7107	326368.1853	2202924.787	1755169.071	242584.1892	200420.7375	215339.4066	128160.9635	2558412.929	2089095.953	292852.512	219427.094	237942.3028	169662.9921	4922200.899	3802453.514	245402.9517	190979.7409	3872665.86	2541729.354	260188.1635	195143.4433	1345743.974	1560074.37	265372.216	191401.6811	262981.5918	168975.0478	3051915.842	1945290.901	273264.6313	223413.2901	387527.14	263947.8064	1889522.321	1356388.158	176807.3346	122947.1119	2653565.552	1888320.932	1396560.803	929889.1324	247258.5784	205730.5974	210830.4738	148372.9828	228949.7114	189583.0136	36656.74942	192978.8683	154936.377	180752.2391	175695.7691	196374.825	181736.1312	269476.8991	530215.0437	664853.1754	425635.7084	520501.8222	436904.75	451961.9323	490171.4503	673086.1978
4-oxododecanedioic acid	3138097.27	222457.5116	438204.1469	213046.8808	2126281.343	1008438.371	2354071	922155.7183	512256.2535	117000.5273	2151475.651	823283.3241	4893802.499	1797333.576	449934.7548	126132.2358	224491.6083	158123.2427	372112.5217	240154.5523	450885.2608	88700.08411	4156277.133	96235.85619	138072.4032	65234.49703	359531.7262	88222.82166	4054812.051	1471991.362	818057.1829	175168.1673	145812.1761	92869.19364	1418480.42	543092.8875	126278.579	109491.0182	2411337.61	288108.3647	202130.9305	119251.3735	2604394.048	312009.8108	1461227.7	327897.5705	2917753.328	78155.86383	344914.6435	212860.4031	1816144.774	918092.5758	868532.6236	237034.6743	334522.2487	139060.8906	1566174.536	295288.692	634638.7315	70969.48496	247748.904	108902.2682	194461.3531	97949.3226	558842.7788	366263.514	1370699.294	1196204.614	519186.9871	105412.1536	181190.1888	54820.73932	773739.0323	114858.3735	891840.2552	480261.4091	2952225.138	727428.3878	481959.1224	424953.8456	124755.9301	252890.7671	103843.8572	26657.63376	47359.41591	70011.67881	21271.65817	75222.94196	1069812.866	974669.9166	1275175.532	1403113.785	1220770.02	959753.8323	1178895.297	1081617.27
PEG n13	1552072.761	396680.9748	1828200.789	1008731.425	381253.0885	195144.7617	2295943.054	1169607.094	1268147.966	682025.4561	523844.2433	379909.7577	934220.6835	658317.2893	308793.4919	154606.3125	278775.2428	233704.1184	1440298.612	630834.0075	2456691.934	999682.998	1763382.43	1000463.643	541213.5779	251876.298	368274.1325	249324.3664	1072148.748	523098.56	928841.4953	408598.6139	4999887.355	3035358.416	1521461.022	1050204.699	894852.9188	572874.0663	1540859.845	524479.9168	584717.9398	421268.4647	599794.1389	271034.3119	476230.7111	246934.9367	305333.1686	169972.5358	1493119.345	918079.5676	1050587.702	527965.689	724727.1649	465630.8669	333066.8003	226238.3479	659733.2122	395930.4033	946728.5734	458079.2041	1801419.138	873336.8189	1359730.614	808684.4665	5050301.188	3283911.27	1634189.315	1135885.853	540592.1545	308415.0103	387195.1826	249282.9514	352061.3549	277744.2235	870015.2913	589102.8244	904543.5714	461191.5736	1071994.627	769419.1098	41815.98126	43115.28318	32966.84754	30159.59535	32405.12819	35403.73227	24480.01618	24026.2554	1179306.74	1087732.218	1035082.046	911537.9553	902166.7697	1013125.132	1183353.289	1103093.964
N-Pentacosanoylglycine	1310050.052	87757.07677	798326.5201	4147294.678	603192.5295	2359637.542	586470.2543	2261829.833	835851.3277	2361571.131	794733.7001	4172713.423	544710.2641	1737859.707	373126.7775	2200334.861	460152.033	1606668.589	648198.8187	2957287.515	108425.7808	180889.9539	102138.8529	122708.1136	112390.603	164817.4507	62805.38476	124605.655	67941.14623	85540.16545	163846.67	59812.47272	149017.7259	135962.3409	70822.33219	81167.25854	80569.98704	95058.33177	107051.8017	84394.83424	746535.392	1351170.501	1094198.065	4906238.023	1093478.687	3613175.815	588827.8939	2118283.559	858460.3195	1970166.068	808921.7067	4137045.068	744180.9991	3202694.791	185981.3257	1768281.504	722238.1783	3043564.221	458811.3939	2623162.831	200248.2766	135729.1305	173022.2468	158154.5488	142717.1754	169695.7797	114483.7424	156655.8185	107348.2978	131403.2649	127035.6715	139800.895	142974.7768	165161.1271	123312.8149	132256.8664	56129.91799	110541.4801	121315.0618	52690.76079	413085.0622	327498.5873	275933.1143	258209.4558	222104.5161	273614.2444	218200.5889	242922.7058	152944.0639	424640.3757	203469.7012	144951.7788	198468.9975	256044.6156	326201.8926	291000.0482
Octyl cyanoacrylate	91846.96046	50514.94469	143085.524	59609.38606	142896.1421	47662.83389	3633340.54	138002.5029	234410.5161	79000.46391	149810.8151	96385.36897	1929324.356	981001.2559	108925.1662	19980.8277	118255.925	82568.29001	4550326.166	82278.382	1822237.632	90306.38148	52452.56594	69464.7863	443671.2109	85282.0117	108341.8996	76915.10308	287397.3134	67802.71573	3230841.848	53201.63788	113760.3643	46496.9107	223575.5404	38706.46395	1219766.448	699461.5589	197284.7852	66505.23957	62492.92018	112261.1798	3868025.634	73314.9391	106996.8812	91775.58939	76637.36868	56459.01701	29906.67023	73399.23709	229015.4113	71502.36232	2835611.983	122209.0838	104125.5804	82739.89832	31984.61849	80628.13783	65365.89428	57829.16464	68078.85632	42434.95029	4001302.222	82978.49981	315642.4299	180545.0617	339662.2099	52093.82264	122729.3947	38076.42575	1712964.406	101052.4627	144111.5805	35315.84299	718777.2616	67764.89545	1654945.377	96713.77737	2271221.725	1213926.137	68863.96602	47935.50225	15875.58569	62421.33883	50271.25596	47835.85076	39743.42533	50488.98113	490389.3466	539048.9096	478341.7	418858.5902	462807.8278	436232.5766	522616.8175	523055.7595
3,4,5-Trimethoxyphenyl acetate	1202601.704	430886.5945	543866.0443	208600.1349	3320112.672	1289566.456	362555.0683	196017.3862	44140.46716	41550.74548	34243.65902	33464.0577	57764.4138	42610.28697	30238.11543	28162.84308	112421.6105	22397.07547	2073492.311	628649.6589	688322.8468	225589.4599	475009.1702	173318.5012	167737.3909	37658.99398	32050.53397	38131.16769	231830.2343	102936.2296	383652.6065	70243.94902	28039.65396	33382.20043	276561.0407	87125.95208	43240.884	27011.80979	2117525.821	37217.03486	33555.35005	25328.8038	3018224.252	1343409.638	2325817.117	1382994.361	3323687.908	1832495.936	222739.8734	94107.418	543213.9321	446082.317	86566.72962	66462.4596	104944.694	59092.03444	114460.5311	36181.5391	2286403.913	632086.0433	159828.1926	67988.11091	223718.7473	119081.2697	287633.4263	169391.9518	3721304.65	2683445.499	178350.0219	42178.63133	49570.90499	41696.60942	720418.9332	399167.5011	1646490.439	593127.6553	65732.09745	48797.2624	354396.5022	145609.0567	32559.46945	33129.67664	33767.74895	18118.83272	20782.72276	24529.50914	31776.29377	27884.18176	813759.8227	954433.1596	743924.3474	786060.1984	706417.672	888837.5823	803299.5761	893850.7349
Cyclo(leucylleucine)	239549.6782	193178.4896	298955.4157	256547.5629	305625.4042	277579.4659	305718.0946	478501.9139	4110434.105	4297414.584	303691.1148	249557.6269	380262.9458	239882.9054	272857.5466	258192.0968	355393.747	330670.5073	328277.7853	460282.0811	555967.4403	702430.4547	463466.0907	490126.0159	3864792.95	3876529.164	440758.1427	244268.6278	336110.7018	385107.5884	501217.2583	202527.7167	299056.5229	262465.4486	378109.8579	317822.2101	350004.517	332116.8744	388064.8481	571157.5711	312208.67	281580.8421	276814.797	558695.9573	299406.2462	223103.4053	298782.0509	248710.5762	348758.0723	298438.5111	316472.1663	429450.9492	252294.6529	229189.344	303067.4937	275774.268	298511.0969	259305.7659	333426.5208	278301.8555	274836.9419	209576.6433	273559.3165	268485.2292	382341.5854	352959.8609	319037.2685	293034.8053	279847.445	216846.5112	291413.5408	258664.3705	320394.7472	294006.7155	299144.4375	264968.5773	421866.5526	414791.0722	356286.7902	386168.2415	101608.8323	93152.54149	104996.8097	104428.5187	100118.4705	116671.0514	123516.1786	147768.5496	272327.9474	553679.0591	388242.6459	268581.3476	406442.4153	513503.7759	516161.8149	410985.3806
5,6-Dimethylbenzimidazole	115445.826	59966.83818	101242.9657	307966.0973	39272.45615	123858.5828	90159.65504	93209.46315	149109.196	169330.5974	152773.4317	244767.7081	59981.45192	147584.8415	31833.10378	117342.7293	31750.84019	82129.7195	133043.1369	176138.9353	198574.8293	199733.0604	376092.8102	375467.9131	161691.5273	225595.4903	81732.88694	112382.2569	51959.46605	107172.2829	117669.1496	222992.1245	186951.7822	262687.2154	197411.8672	282895.2808	170736.3221	208835.8073	655932.2581	328784.2992	275242.7378	303153.2127	141335.0672	182612.2571	189564.882	239623.0415	79889.60287	180634.0684	52711.2849	154514.3918	131487.0155	270321.6755	115121.2554	183274.5261	82766.62257	190901.723	4035935.591	2683574.011	83990.11436	99418.90196	217114.3645	234761.864	57440.85113	147789.2523	264808.5868	379234.6834	199078.1913	234968.6022	183179.8058	130377.5777	61037.48835	116286.2014	76851.22496	181704.2762	113664.2215	163991.0285	90328.653	96325.0286	133510.5624	185784.6675	119965.1781	51661.00452	42791.77354	37266.91021	36027.65761	27673.02593	25236.68946	25689.5527	238953.1991	201829.9964	170480.1727	200504.269	261435.6394	194621.1535	231627.094	195143.2919
2,6-Diamino-4-hexenoic acid	475225.63	122192.0847	633107.054	338761.6368	410649.9631	359777.3011	439736.9357	300114.3737	595697.0915	243947.5996	580566.4187	515533.8184	443857.7025	372589.2655	410566.0619	300446.9219	415697.2216	408973.266	598591.8143	358869.2742	194668.3312	64633.5768	239311.6051	94169.19839	101627.2292	61652.81795	96951.78801	91762.687	137073.6075	130602.0518	3455958.141	2202080.678	302909.0603	287031.5716	67367.48332	65612.72404	93771.41728	92388.97571	155967.8943	83196.93649	521286.9138	395771.3537	552699.0274	439335.4775	427289.6875	314949.51	518384.0131	353427.4269	524928.5854	336026.4697	551139.2548	367076.3436	595781.4926	405007.7408	484499.2983	390369.4272	859371.3281	587432.3407	476079.6717	343863.4599	48390.97824	41765.1941	103037.8985	171004.5297	109542.975	58251.6072	80166.09135	46557.50124	51530.69812	80580.82156	91708.42811	129419.4936	67053.64612	91458.66065	244935.5383	210202.798	143374.3297	125175.7717	164547.9683	152467.3113	44039.50949	47808.67257	65337.4224	37565.11062	127965.7205	54832.68058	32252.83398	54808.93899	175783.6152	118235.2431	270660.7631	134408.0781	252688.2205	146517.8591	182103.9766	164252.8162
Monobutyl phthalate	996596.0582	23208.5091	827501.6208	311155.6422	422463.0711	217726.174	445192.9559	243154.5527	148939.817	82823.36454	401515.6555	412689.3184	931612.4163	612250.7914	164890.5395	87210.62926	327694.1135	188698.0635	745436.3916	78245.99473	506998.3788	334300.1724	3368830.612	322541.5579	152543.8831	19334.9098	133562.6035	21421.48216	202782.1279	109501.948	628394.9301	493058.2015	531644.0162	220518.5956	373026.0837	253244.5484	908867.1637	565392.79	603877.621	71260.13762	180720.8994	94842.15002	794177.594	307418.4256	901543.7553	369987.7059	849692.403	638306.9809	173286.639	81712.89822	537477.3863	347560.6902	245028.8284	171760.9943	347556.4333	205843.7562	275174.2318	360455.0881	805649.8033	50415.54759	396244.2117	170661.8909	180890.0829	651371.2918	503692.0277	271909.3356	2171456.775	1152185.858	88251.79548	45297.04983	315831.312	311260.2263	427006.3468	304526.0812	575855.3841	340690.3028	228830.5397	39559.77263	380856.4804	341326.9482	285163.3421	350735.2042	445000.985	243831.2018	351463.0874	40773.13639	57801.74729	49780.58166	425006.0949	438988.2516	424356.6841	432213.1751	439006.9764	440554.5543	437659.3864	413070.5757
tybamate	148003.2728	26444.53737	24012.51339	40775.17821	62982.53992	48628.17333	2496835.488	219177.3736	143787.6068	110955.2224	39145.6353	36241.38159	795958.158	56535.15246	69221.81282	37534.47595	21320.32092	37716.72281	1656320.51	801150.8959	2756463.572	548701.7711	56256.64443	43761.94229	189873.7692	34093.22812	119393.9154	35158.4412	133532.9595	36818.66679	1972991.241	841005.8021	21053.7722	47327.39622	69261.34078	80912.70988	440733.4417	23593.00692	138538.5193	48606.6349	21329.79631	23045.32853	1765395.274	342881.7129	42508.0242	33821.48383	26446.39303	27609.96838	24432.26005	33302.20879	60537.61974	34413.38015	1806392.084	179580.1174	19871.66296	31880.54259	22559.13191	76662.07053	28918.48466	50789.51432	28513.61676	30907.25678	2808870.83	311231.662	32003.80076	35901.42432	157824.7018	40928.86319	84562.41957	47961.59839	857494.0562	39959.96771	67643.08186	49648.87752	360541.4721	66408.01327	1969880.668	238869.4207	1315801.84	2522936.134	65592.79561	36844.17704	15985.28935	23517.5861	16434.03462	16273.04676	17343.06967	30285.94934	689333.1348	617265.3515	704165.1708	513248.3138	517857.5827	776257.5529	723600.1281	598787.1931
MFCD00025555	149926.2517	80749.99161	59568.81745	48125.35359	61367.54101	48418.76779	3244525.745	2104790.597	105491.3084	35727.66912	66492.52675	51787.87762	1069381.94	776003.0479	51376.86891	39517.14004	61257.21867	45602.26808	2880591.43	1695117.719	1892999.1	1028852.708	50998.02666	38304.92993	44428.30766	32988.84239	42241.66232	31020.19019	49143.09421	73628.91257	1834841.23	908231.1095	53491.7429	41416.67254	55828.80536	41765.96106	46910.88003	37094.37513	57354.53104	31816.54716	79073.87618	60174.16382	1858485.786	1057529.963	57145.05171	46988.88959	58636.53469	45776.69603	58579.59002	46391.39656	76122.17105	55919.57174	1434060.09	988466.5538	60509.38386	46382.8794	65213.43885	47091.91442	59317.18192	40396.16931	56682.57243	43588.30521	3154875.277	2293303.816	69669.15243	47101.85632	104998.063	71141.15977	44576.01318	69471.73119	48900.75249	40037.34178	51450.02776	44265.49081	314325.5748	167511.7353	626654.4349	382688.5018	1150311.677	840485.0525	49693.29842	43727.59164	33181.94213	45130.28316	40863.98872	35946.09447	40675.30906	32440.83985	260769.5946	284091.074	225614.9153	269275.7206	255857.2601	268311.9851	270980.6477	252994.8996
Basic Violet 1	1032552.37	189726.1227	932099.0781	410180.1418	163028.5834	182460.1062	276438.6251	116480.9587	129694.4839	79612.07394	366902.3563	291770.4739	148028.584	239760.3616	162880.667	116467.3213	147387.035	596737.8448	950516.9885	939457.8717	379566.8433	186539.8351	319657.1836	189764.1676	172012.5878	123859.1849	134821.4947	115829.2654	138795.4978	83120.52668	2842944.347	1643342.815	174950.6722	159030.8262	478282.8768	595612.9738	149077.9209	137237.4184	378067.0577	383596.73	694631.7943	734738.7108	302271.7707	246930.0051	252008.7639	654632.5426	183892.0034	198380.9279	188182.8361	441308.0111	334196.6726	258301.5648	962811.6609	1001714.523	371299.8459	459997.5205	256762.3142	167072.6234	239966.6604	153399.8562	719313.5593	255765.5217	462381.3597	1098690.108	289234.9128	782631.5095	3155368.983	3551149.138	111261.4271	107144.7702	200062.8432	175965.9582	158124.2768	225593.3696	196539.1529	152090.8537	402618.5997	104587.7088	833857.2885	873250.9138	147049.9601	90695.3975	94840.27091	76622.22006	66647.07748	63206.45283	50178.30992	55115.94005	867433.2316	763217.7658	471582.1116	639854.9948	631524.3963	700927.2685	585751.6941	817992.9799
N-pentylpantothenamide	185459.9247	78507.87534	41973.02842	41528.97878	45821.06896	61017.13297	1411351.241	30265.73272	193088.9536	23770.49561	34794.45459	37875.72957	1298513.02	355977.4762	49726.10016	31037.75881	14409.25951	21613.06175	2616684.949	55496.21806	2111374.39	3393268.594	48853.26442	35648.52764	88932.44459	34979.0738	183229.5563	22885.71449	125944.9495	37966.98996	2103851.053	212683.9726	22263.31132	99455.47483	68682.65769	31482.54733	124977.3303	58518.48723	134698.6829	34339.12389	41272.78396	67789.31247	2206929.24	1987998.358	53024.93777	38063.81448	31730.47741	48602.12348	14578.9646	19635.83095	50898.54281	38592.27667	2625885.766	316012.6282	32243.66439	48554.59421	28186.58402	36498.31799	16070.46065	34357.96952	49736.75167	42587.82067	2828966.583	497276.3953	50375.43794	59256.94047	227590.8603	223308.7384	51208.71081	34615.08195	153252.7275	84964.55712	110110.9074	68196.54994	394333.289	446248.6597	1059778.182	42208.39489	2095890.751	1386415.943	21865.37375	59894.36616	15357.65836	23401.73295	35641.82098	21068.2141	13269.17885	21137.80249	789496.3215	743074.0251	753281.0235	640011.3092	546067.3813	645584.7429	720422.3005	837474.7997
6-(Methoxymethyl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-ol	41811.83895	25497.81896	498664.8416	221077.9913	340618.1498	187509.4078	176810.7831	51939.62906	815216.8126	263487.7112	563969.7107	250823.7427	878667.0397	448615.1664	25268.24017	19014.67732	903599.383	414523.6503	202827.5076	72921.18545	48241.9133	53230.61106	964953.4724	350463.9542	324767.8637	72260.92554	792248.8503	215880.0601	190040.0821	38826.47616	752872.837	224965.5511	28053.81773	27926.87479	501106.901	224886.0126	477212.1162	241953.3872	681369.6126	97403.57973	1672210.088	1002169.658	210243.4922	68804.19377	38672.17674	25514.14307	427900.4918	294810.8645	240265.5036	115791.1291	1018518.333	486820.628	301537.017	47802.4614	1465520.841	754560.2902	261408.7255	70194.16946	32928.39224	20014.76412	1661759.659	704158.67	55558.41125	67184.87093	1404052.804	740586.3879	1197922.274	816771.7794	25603.6708	18985.92144	2703383.047	61808.15697	1654152.963	891631.645	1550480.33	808021.4749	37176.05607	35411.24518	44302.8904	40463.62474	17244.06172	15305.43943	14650.70199	15025.48491	22004.00199	16415.13398	17665.73124	16234.99092	227881.4604	183077.9914	205617.9282	197023.2169	189131.0406	205832.6522	210160.3215	213536.9483
Hordenine	146233.3946	53349.18092	111380.1658	210690.4797	180191.7196	214677.3203	1826777.242	1265962.429	132665.1051	101061.0908	135225.6788	182272.6142	914067.4272	912410.998	117600.5536	58072.5212	207471.5596	103635.1884	2045550.071	1368391.399	1157060.852	59180.21788	172064.2014	161248.3781	246230.4003	294561.5271	119544.8603	130786.0322	197537.1752	123380.8408	1240359.967	758601.9172	61398.57596	80847.55441	56502.72705	115359.6885	147635.4515	222400.012	217671.0458	55524.08325	39695.22405	83389.01282	1215609.403	63783.97704	210474.1449	124005.4634	109834.0358	77237.26325	63472.02425	33764.4956	79474.85832	130331.5285	1221202.728	757484.2266	52835.64582	26017.99842	34861.10452	65701.24965	48261.58326	68506.99098	144868.559	225367.6339	2256377.929	1393891.125	34007.52887	162476.3122	330632.039	380084.5566	55363.11136	42557.60979	323584.5057	193224.124	91350.13231	25657.51545	391873.9178	453920.268	821140.3892	380248.366	1643484.473	2060436.678	76601.68091	68562.92131	32764.55813	65543.21029	67260.66706	92510.97364	75148.76641	79920.57558	312518.1933	269484.4435	238367.0163	209536.8675	231570.2501	386275.0295	306698.7614	222403.6179
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	FISh.Coverage	Calc..MW	RT.[min]	inChIKey	mzCloudId	ChemSpider	HMDb	KEGG	PubChem
Creatinine	26.32	113.05894	3.428	DDRJAANPRJIHGJ-UHFFFAOYSA-N	13	568	HMDB00562	C00791	588
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	59.39	243.18309	1.408
Imidazole	26.67	68.03802	3.664
Dipropylene glycol dimethyl ether	31.37	162.12535	1.562
Linoleamide	83.5	279.25583	1.463
octadec-9-ynoic acid	81.63	262.22921	1.469
Pivagabine	47.62	187.1205	2.017
L-Phenylalanine	73.33	165.07886	5.38	COLNVLDHVKWLRT-QMMMGPOBSA-N	8	5910		C00079	6140
5-Methyl-2-octyl-3(2H)-furanone	69.57	210.16169	1.445
Cyprodenate	47.62	227.1882	1.455
L-Norleucine	50	131.09448	5.794	LRQKBLKVPFOOQJ-YFKPBYRVSA-N	1824	9103	HMDB01645	C01933	21236
DL-Tryptophan	81.82	204.08949	5.782	QIVBCDIJIAJPQS-UHFFFAOYSA-N	415	1116		C00806	1148
2'-Deoxycytidine	56.25	227.09013	4.113
trans-3-Indoleacrylic acid	26.32	187.06303	5.777	SXOUIMVOMIGLHO-AATRIKPKSA-N	928	10607876	HMDB00734		5375048&
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine	82.05	169.10994	1.972
Cytosine	50	111.04336	4.111	OPTASPLRGRRNAP-UHFFFAOYSA-N	365	577	HMDB00630	C00380	597
Isopropyl catechol	37.5	152.08347	2.021
L-Isoleucine	61.54	131.09452	6.162	AGPKZVBTJJNPAG-WHFBIAKZSA-N	2244	6067	HMDB00172	C00407	6306
Triisopropanolamine	64.29	191.15187	3.63	SLINHMUFWFWBMU-UHFFFAOYSA-N	2688	23121			24730
NP-011548	63.74	315.27705	1.529
NP-014287	73.33	313.26123	1.496
Oleamide	91.3	264.24495	1.428	FATBGEAMYMYZAF-KTKRTIGZSA-N	530	4446508	HMDB02117	C19670	5283387
N-(tert-Butoxycarbonyl)-L-leucine	66.67	231.14661	4.457
Bis(methylbenzylidene)sorbitol	33.33	386.17163	1.485	WOOQSKAMMPIQIW-HCXPZJNHSA-N	7439				90474944
3-Methylsulfolene	13.33	132.0243	6.485
Nudifloramide	35.29	152.0583	2.238
Benzoxazolone	21.74	135.03177	2.233
L-(-)-Methionine	56.52	149.0508	6.482	FFEARJCKVFRZRR-BYPYZUCNSA-N	1544	5907	HMDB00696	C00073	6137
2-(Diethoxymethyl)furan	37.5	170.09457	1.495
D-(+)-Proline	50	115.06344	7.492	ONIBWKKTOPOVIA-SCSAIBSYSA-N	1783	8640	HMDB03411	C00763	8988
2-(3-phenylpropyl)oxolane	65.12	190.13554	1.401
(4E)-5-Hydroxy-4-{(2E,4E,6R)-1-hydroxy-6-[(3R,4R,6R)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methyl-2,4-heptadien-1-ylidene}-2,4-dihydro-3H-pyrrol-3-one	55.22	403.19834	1.49
DINP	65.63	418.30778	1.387
Bis(4-ethylbenzylidene)sorbitol	45.1	414.20343	1.463	RPMMDFYGVMKCJU-UHFFFAOYSA-N	7437	8042170			9866479
Creatine	75	131.06938	8.787	CVSVTCORWBXHQV-UHFFFAOYSA-N	357	566	HMDB00064	C00300	586
N-[(2S,3R,4E)-1-{[4-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]dodecanamide	28.13	805.56022	2.085
(E,E)-2,4-Dodecadienal	67.39	180.15118	1.403
1728235	55.77	330.27647	1.436	QHZLMUACJMDIAE-UHFFFAOYSA-N	406	14201			14900
3-(3,4-dihydroxyphenyl)propanoic acid	46.67	164.04709	6.935
Caprolactam	68.42	113.08418	1.779	JBKVHLHDHHXQEQ-UHFFFAOYSA-N	2867	7480		C06593	7768
(±)13-HpODE	73.61	294.21907	1.445
NP-002322	54.82	329.25613	1.504
L-Tyrosine	71.43	181.07368	6.929	OUYCCCASQSFEME-QMMMGPOBSA-N	2255	5833	HMDB00158	C00082	6057
(+/-)12(13)-DiHOME	52.94	296.23483	1.426	CQSLTKIXAJTQGA-FLIBITNWSA-N	6638	8412123			10236635
Monoolein	71.08	356.29216	1.436	RZRNAYUHWVFMIP-KTKRTIGZSA-N	967	4516959			5283468
NP-016928	24.48	316.2034	1.463
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-5'-carboxylic acid	31.13	334.21397	1.467	JSXYBZIRJXMIMK-UHFFFAOYSA-N	7911	29814739			57509504
6-Methylnicotinamide	53.85	136.06351	5.619	IJXDURUAYOKSIS-UHFFFAOYSA-N	272	86975			96351
(2S)-2-Amino-8-oxodecanoic acid	71.7	201.13624	1.873
1,1,6-Trimethyl-1,2-dihydronaphthalene	68.18	172.125	1.412
N-Nonanoylglycine	73.53	215.15192	1.862
1-Hexadecanoylpyrrolidine	63.24	309.30265	1.419
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	44.44	314.18768	1.477
Bis(2-ethylhexyl) phthalate	46.67	390.27619	1.356	BJQHLKABXJIVAM-UHFFFAOYSA-N	30	21106505			8343
N,N-Bis(2-hydroxyethyl)dodecanamide	38.59	287.24569	1.563
Urocanic acid	33.33	138.04279	2.303	LOIYMIARKYCTBW-OWOJBTEDSA-N	770	643824	HMDB00301	C00785	736715
1,4-dihydroxyheptadec-16-en-2-yl acetate	62.37	345.28706	1.447
3-Tropanol	47.22	141.11529	1.908
5-Pentyl-2(5H)-furanone	70.59	154.09911	1.55
alpha-methylstyrene	36.36	118.07815	1.46
3721	62.5	124.0887	1.986
11-Aminoundecanoic acid	48	201.17244	4.256
Pumiliotoxin 251D	64.41	251.22445	1.503
N-Acetyl-L-leucine	55.17	173.10495	2.061	WXNXCEHXYPACJF-ZETCQYMHSA-N	512	1918	HMDB11756	C02710	70912
NP-008993	59.01	331.27172	1.704
3-(4-Methyl-3-pentenyl)thiophene	12.5	166.08183	5.354
Gabapentin	26.19	171.12567	1.614	UGJMXCAKCUNAIE-UHFFFAOYSA-N	725	3328	HMDB05015		3446
3-Ethylphenol	21.15	122.07311	1.535
Trimethylamine N-oxide	26.67	75.06891	4.732
9-Nitrooleate	53.7	327.24041	1.557	CQOAKBVRRVHWKV-SAPNQHFASA-N	6717	9820320			11645581
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one	81.82	140.08363	1.53
Hexylbenzene	44.44	162.14061	1.414
epsilon-Caprolactone	47.83	114.06808	1.543	PAPBSGBWRJIAAV-UHFFFAOYSA-N	7295	9972			10401
Irgafos 168	24.24	312.23427	1.456	JKIJEFPNVSHHEI-UHFFFAOYSA-N	575	82711			91601
Militarinone A	62.79	459.26098	1.473
5-Methylcytidine	38.89	257.10065	4.485
Hexanal	41.67	100.08881	1.571
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine	33.33	771.57615	2.109
4-Methoxychalcone	19.44	238.09827	9.347	XUFXKBJMCRJATM-FMIVXFBMSA-N	1747	557051			641819
Prostaglandin E1	42	371.26706	1.475	GMVPRGQOIOIIMI-DWKJAMRDSA-N	1356	4444306			5280723
15,16-DiHODE	55.38	312.22958	1.455
2908	54.55	85.08957	6.158
12-oxo Phytodienoic Acid	79.22	309.22994	1.532
n-Amylbenzene	21.6	148.12507	1.413
5-Pentylresorcinol	19.44	180.11472	1.502
3515	67.44	126.10449	1.498
N-Tricosanoylglycine	65	411.37071	1.405
ARECOLINE	31.43	155.09434	2.22	HJJPJSXJAXAIPN-UHFFFAOYSA-N	5850	13872064	HMDB30353	C10129	2230
(2R,3R,4S,5S,6R)-2-[(3Z)-hex-3-en-1-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol	55	244.13055	1.872
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âaâ°.0â´,âa]hexadec-10-ene-5-carboxylic acid	37.04	300.20851	1.423
butoctamide	63.64	315.20398	2.414
PEG-4	28.57	194.11513	2.142
1-(2-Furyl)-1-butanone	53.85	138.06788	1.987
2-(14,15-Epoxyeicosatrienoyl) glycerol	32.79	376.25786	1.394	LPMVKZXODWQHGJ-ILYOTBPNSA-N	4758	21467740	HMDB13651		53481916
D-(+)-Glucose	57.14	197.08972	6.908	WQZGKKKJIJFFOK-GASJEMHNSA-N	6210	5589		C00293	5793
NP-003459	64.79	168.07839	1.548
1794967	54.32	285.22978	1.538
Benzyl butyl phthalate	42.86	312.13569	1.385	IRIAEXORFWYRCZ-UHFFFAOYSA-N	29	2257		C14211	2347
THREO-SPHINGOSINE, (-)-	73.81	299.28251	1.461
2-Propionyl-1,4,5,6-tetrahydropyridine	50	139.09951	1.848
Cyclopamine	30	411.31279	2.024
Diethanolamine	57.14	105.07918	5.394	ZBCBWPMODOFKDW-UHFFFAOYSA-N	1792	13835604	HMDB04437		8113&
Valproic acid	44	144.11495	1.543
2,4,9a-Trimethoxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-ol	39.39	326.20862	1.846
(-)-Bremazocine	13.68	315.21941	1.465
NP-020515	63.92	273.15704	1.509
Phthalic acid	28.57	166.0264	1.74	XNGIFLGASWRNHJ-UHFFFAOYSA-N	875	992	HMDB02107	C01606	1017
5-methyldeoxycytidine	20	241.10567	3.707	LUCHPKXVUGJYGU-XLPZGREQSA-N	1412	389065		C03592	440055
(1R,4aS,7S,7aR)-1-Hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde	59.09	182.09402	1.566
NP-005397	56.99	324.19295	1.471
2595	62.5	192.15134	1.449
Piperine	50	285.1361	1.45	MXXWOMGUGJBKIW-YPCIICBESA-N	969	553590	HMDB29377	C03882	638024
ADB-PINACA	19.05	366.20104	1.718	FWTARAXQGJRQKN-UHFFFAOYSA-N	5695	29342129			86280478
(2E,4Z)-N-Isobutyl-2,4-octadecadienamide	65.48	335.31882	1.418
Pulegone	71.43	152.11992	1.41	NZGWDASTMWDZIW-UHFFFAOYSA-N	1258	6722			6988
11-Nitro-1-undecene	33.7	199.157	1.508
NP-008952	57.14	196.10975	1.522
Pinolenic acid ethyl ester	74.23	323.28234	1.457	VNRWOSFYACMRHX-UCVSHGSNSA-N	6610	21467697			35027734
Leukotriene B4 Ethanolamide	51.43	379.27171	1.462
N,N-Dimethylaniline	30.77	121.08918	1.852	JLTDJTHDQAWBAV-UHFFFAOYSA-N	497	924	HMDB01020	C02846	949
8-Hydroxy-5,6-octadienoic acid	60	156.07842	1.502
Melamine	42.86	126.06536	3.281	JDSHMPZPIAZGSV-UHFFFAOYSA-N	1246	7667	HMDB41922	C08737	7955
L-Kynurenine	68.75	208.08443	5.425	YGPSJZOEDVAXAB-QMMMGPOBSA-N	478	141580	HMDB00183	C00328	161166
Atagabalin	36.67	185.14138	1.614
Bisphenol A diglycidyl ether	21.21	357.19363	1.389	LCFVJGUPQDGYKZ-UHFFFAOYSA-N	7887	2199	HMDB32737	C14348	2286
(+)-Allopumiliotoxin 267A	45.63	267.21939	1.516
2,3-Dinor-8-epi-prostaglandin F2a	56.25	348.19134	1.466
N-[(5E)-5-Heptenoyl]glycine	50	185.10495	4.599
2-Amino-4-[(3-aminopropyl)amino]butanoic acid	23.08	175.13174	6.691
Triethanolamine	41.3	149.10497	6.749	GSEJCLTVZPLZKY-UHFFFAOYSA-N	750	13835630	HMDB32538		7618
(2E,4Z)-Heptadienal	47.37	110.07327	1.483
ß,ß-Dimethyl-?-methylene-?-butyrolactone	77.78	126.06799	1.514
Sorbaldehyde	48	96.05769	1.519
Pregabalin	80	159.1257	1.957	AYXYPKUFHZROOJ-ZETCQYMHSA-N	2362	4589156	HMDB14375		5486971
Cyclohexylamine	44.44	99.105	3.088	PAFZNILMFXTMIY-UHFFFAOYSA-N	7281	7677	HMDB31404	C00571	7965
(+/-)-Camphoric acid	55.1	200.10446	1.663
N-Docosanoylglycine	53.19	397.35513	1.418
n-propylbenzene	22.73	120.09391	1.481
NP-004036	69.09	212.14101	1.481
5-Methylcytosine	44.44	125.05884	4.493	LRSASMSXMSNRBT-UHFFFAOYSA-N	263	58551	HMDB02894	C02376	65040
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine	64.86	123.10477	1.979
7-Octene-3,5-diyn-1-ol	26.09	120.05718	1.492
4230434	60	128.09505	8.733
NP-020014	45	236.17728	1.398
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid	53.09	308.19815	1.853
N-Vinyl-2-pyrrolidone	23.08	111.0682	1.728	WHNWPMSKXPGLAX-UHFFFAOYSA-N	3148	6651		C19548	6917
Isobutyric acid	20	88.05273	1.561	KQNPFQTWMSNSAP-UHFFFAOYSA-N	2753	6341	HMDB01873	C02632	6590
m-Cresol	11.54	108.05736	1.511
10-oxo-8-decenoic acid	82.35	184.10965	1.534
Penbutolol	38.14	291.21898	1.506	KQXKVJAGOJTNJS-UHFFFAOYSA-N	2434	4562			4724
NP-007138	58.9	367.23533	1.512
NP-000919	76.47	214.12017	1.533
5,5'-Dihydroxy-4,4',8',8'-tetramethyl-4,5-dihydro-2'H,3H-spiro[furan-2,6'-[7]oxabicyclo[3.2.1]oct[3]en]-2'-one	40.63	268.13045	1.525
N-Acetyl-a-D-glucosamine	66.67	221.08953	5.473
Panthenyl ethyl ether	41.67	233.16234	1.462
PEG n5	83.33	238.14106	2.156	JLFNLZLINWHATN-UHFFFAOYSA-N	1819	56318			62551
4-Ethylbenzaldehyde	55.56	134.07298	1.952	QNGNSVIICDLXHT-UHFFFAOYSA-N	6570	21105903	HMDB32024		20861
3-Amino-5-hydroxybenzoic acid	25	153.04229	2.235
(2Z,4Z,6Z)-2,4,6-Nonatrienal	71.43	136.08863	1.505
L-(+)-Penicillamine	18.18	149.05089	2.633
Dibutyl phthalate	52.94	278.1514	1.425	DOIRQSBPFJWKBE-UHFFFAOYSA-N	32	13837319			3026
(1E)-N-Hydroxy-4-(methylsulfanyl)-1-butanimine	20	133.05612	1.782
Styrene	41.67	104.06291	1.485
6-Methoxyquinoline	12.5	159.0681	4.321	HFDLDPJYCIEXJP-UHFFFAOYSA-N	2627	14170			14860
Cytidine	30.77	243.0851	5.026	UHDGCWIWMRVCDJ-XVFCMESISA-N	364	5940	HMDB00089	C00475	6175
Tiglic acid	57.14	100.05251	1.558	UIERETOOQGIECD-ONEGZZNKSA-N	3391	111629	HMDB01470	C08279	125468
(2E,4E,7E)-2,4,7-Decatrienoic acid	76.74	166.09916	1.515
1872050	65.85	229.16751	1.748
1,3,5-Heptatriene	47.37	94.07848	1.415
N-8-Nonenoylglycine	78.95	213.13621	1.867
Bilirubin	22.68	584.26256	1.451	BPYKTIZUTYGOLE-IFADSCNNSA-N	334	4444055	HMDB00054	C00486	5280352
3618	60	164.11995	1.407	DPZMVZIQRMVBBW-UHFFFAOYSA-N	632	55443	HMDB31624		61523
1,2,3,4-Tetramethyl-1,3-cyclopentadiene	40.74	122.10953	1.468	VNPQQEYMXYCAEZ-UHFFFAOYSA-N	3247	121802			138163
(4E)-2-Amino-3-oxo-4-nonenoic acid	64.52	185.10494	1.635
PHENYLBUTYRIC ACID	43.48	164.08348	1.515	OBKXEAXTFZPCHS-UHFFFAOYSA-N	3074	4611	HMDB00543		4775
17a-Methyl-androstan-3-hydroxyimine-17ß-ol	36.36	319.24863	1.439
Prolylleucine	54.55	228.14698	6.91	ZKQOUHVVXABNDG-IUCAKERBSA-N	559	392116			444109
(6S,7R)-2-Azaspiro[5.5]undecan-7-ol	45.36	169.14639	1.408
2,2,6,6-Tetramethyl-4-piperidinol	58.82	157.14644	3.777	VDVUCLWJZJHFAV-UHFFFAOYSA-N	2886	68000			75471
Ketamine	61.29	237.09156	2.146	YQEZLKZALYSWHR-UHFFFAOYSA-N	1062	3689			3821
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate	40	547.49587	1.333	SSDSCDGVMJFTEQ-UHFFFAOYSA-N	7377	15539			16386
Nitrosoheptamethyleneimine	16.67	142.11044	4.376
2-Acetyl-4-methylpyridine	15.38	135.06825	6.932
DL-Homoserine	54.55	119.05832	8.798
2560	71.43	98.07316	1.495
Tegaserod	14.29	301.1883	3.833
epi-jasmonic acid	79.73	210.12529	1.495
ML-236C	60.66	290.18755	1.73
4-Vinylcyclohexene	45.45	108.09405	1.49
4-(2-Aminopropoxy)-3,5-dimethylphenol	30.65	195.12576	1.882
2-(2-Furyl)piperidine	49.02	151.0995	1.972
Dibenzylamine	47.37	197.12011	2.113	BWLUMTFWVZZZND-UHFFFAOYSA-N	2722	7373			7656
L-Pyroglutamic acid	27.59	129.0425	9.502	ODHCTXKNWHHXJC-VKHMYHEASA-N	1831	7127	HMDB00267	C01879	7405
3,4-Methyleneazelaic acid	73.73	212.10451	1.503
2-Isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone	73.44	242.15137	1.504
PEG n6	30	282.16731	2.167	IIRDTKBZINWQAW-UHFFFAOYSA-N	1820	16521			17472
Alfuzosin	16.37	389.20403	1.506	WNMJYKCGWZFFKR-UHFFFAOYSA-N	1871	2008			2092
Triethylamine	42.86	101.12065	2.803
Oleoylethanolamide	61.82	325.2976	1.441	BOWVQLFMWHZBEF-KTKRTIGZSA-N	6838	4446574			5283454
3-Methyl-1-phenyl-2-butene	31.25	146.10938	1.414
Tranexamic acid	52.17	157.11012	1.698	GYDJEQRTZSCIOI-UHFFFAOYSA-N	2095	5325			5526
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid	34.78	330.18262	1.46	MXPXAZNVQUWDFH-ODFWGIBRSA-N	7786				72550682
Butyl isothiocyanate	53.33	115.04561	1.396
CYCLO(-SER-TYR)	73.68	250.09475	2.64
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate	48.48	199.12062	1.964
Triethylene glycol monobutyl ether	39.39	206.15152	1.565	COBPKKZHLDDMTB-UHFFFAOYSA-N	1421	8581			8923
NP-002854	42.42	238.1201	1.477
1-Methylimidazoleacetic acid	27.91	140.05839	6.899	ZHCKPJGJQOPTLB-UHFFFAOYSA-N	491	68319	HMDB02820	C05828	75810
1,5,7-Trimethyltetralin	38.46	174.14052	1.431
LQ1825000	42.31	127.09967	2.057
NP-013663	64.17	347.26657	1.609
N,N-Diethylethanolamine	50	117.1154	2.776	BFSVOASYOCHEOV-UHFFFAOYSA-N	2816	13842001	HMDB33971		7497
nivazol	10.99	430.2384	1.553
Nicotinamide	16.13	122.04797	2.06	DFPAKSUCGFBDDF-UHFFFAOYSA-N	517	911	HMDB01406	C00153	936
N8-Acetylspermidine	26.92	187.16826	13.511	FONIWJIDLJEJTL-UHFFFAOYSA-N	503	110264	HMDB02189	C01029	123689
N,N-Dimethylglycine	50	103.06359	7.452	FFDGPVCHZBVARC-UHFFFAOYSA-N	498	653	HMDB00092	C01026	673
1-Linoleoyl glycerol	87.1	336.26527	1.389	WECGLUPZRHILCT-HZJYTTRNSA-N	6618	4446589			5283469
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one	31.94	266.11497	1.482
Sorbic acid	60	112.05248	1.486	WSWCOQWTEOXDQX-MQQKCMAXSA-N	2754	558605	HMDB29581		643460
3235	42.31	150.10423	1.479
N-acetyl-L-2-aminoadipic acid	64.86	203.07895	5.461
Senkyunolide A	62.5	192.11466	1.523
L-(+)-Alanine	11.11	89.04809	8.711
DL-Glutamine	54.55	146.06897	9.493	ZDXPYRJPNDTMRX-UHFFFAOYSA-N	2967	718		C00303	738
D-PANTOTHENIC ACID	40.91	219.11028	2.734	GHOKWGTUZJEAQD-ZETCQYMHSA-N	536	6361	HMDB00210	C00864	6613
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine	50	185.10495	6.15
Guanethidine	20.24	198.18559	1.4
ET8750000	33.33	69.05839	7.488
CY9070000	21.62	134.1094	1.43
tranexamic acid	37.5	157.11002	5.783
1-linoleoyl-sn-glycero-3-phosphoethanolamine	60.71	477.2847	3.243
10-Nitrolinoleate	57.89	325.22498	1.541	LELVHAQTWXTCLY-XYWKCAQWSA-N	6679	4445433	HMDB05049	C13800	5282259
Sedanolide	59.84	194.13045	1.497	UPJFTVFLSIQQAV-UHFFFAOYSA-N	6215	4197506	HMDB34450		5018391
2,4,6-Octatriyn-1-ol	16	118.04166	1.466
Hypoglycine A	37.5	141.07879	2.392	OOJZCXFXPZGUBJ-UHFFFAOYSA-N	2196	8728			9081
Brassylic acid	30.47	244.16808	1.403
3-Buten-1-amine	62.5	71.07404	7.16
NP-004917	33.13	254.18762	1.424
4-Indolecarbaldehyde	24.14	145.05253	5.782	JFDDFGLNZWNJTK-UHFFFAOYSA-N	1723	295698			333703
N,N'-Dicyclohexylurea	28.13	224.18868	1.461
Elaeokanine C	43.64	211.15698	1.632
capuride	79.41	186.13649	2.1
Pipecolic acid	38.46	129.07893	7.331	HXEACLLIILLPRG-UHFFFAOYSA-N	548	826			849
Hopantenic acid	28.57	233.12584	1.873
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol	55.22	183.16175	1.464
N-(5-Methyl-3-oxohexyl)alanine	51.16	201.13602	3.472
(2E,6Z)-Nona-2,6-dienal	63.16	138.10441	1.888
NP-006862	38.71	318.21766	1.383
2-Butenedioic acid (2Z)-, dioctyl ester	53.33	340.26088	1.361
Caffeine	32.5	194.08025	2.003	RYYVLZVUVIJVGH-UHFFFAOYSA-N	338	2424	HMDB01847	C07481	2519
C8-HSL	59.09	227.1518	1.845
cis-fenpropimorph	16	303.25379	1.366
5-(3,4-Dihydroxyphenyl)pentanoic acid	26.67	210.08895	1.547
Valerophenone	44.9	162.10435	1.418	XKGLSKVNOSHTAD-UHFFFAOYSA-N	935	59482	HMDB31208		66093
Fenfuram	19.35	201.0787	1.869	JFSPBVWPKOEZCB-UHFFFAOYSA-N	1615	81792		C18833	90590
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate	51.56	269.19842	1.589
8-(Methylthio)octanenitrile	24.24	171.1079	1.368
Tricine	11.11	179.07905	6.755
p-Hydroxybenzalacetone	42.11	162.06783	1.447
dihydropyranone	42.86	98.03693	1.496
Histamine	36.84	111.07988	11.748	NTYJJOPFIAHURM-UHFFFAOYSA-N	1350	753	HMDB00870	C00388	774
Hippuric acid	25	179.05795	2.69	QIAFMBKCNZACKA-UHFFFAOYSA-N	439	451	HMDB00714	C01586	464
Massoia lactone	73.56	168.11482	1.544
(+)-syringaresinol	25	418.16182	1.573	KOWMJRJXZMEZLD-HCIHMXRSSA-N	7455	391324		C10889	443023
2-Methylthiazolidine	33.33	103.04577	6.483
N-(3-acetamidopropyl)pyrrolidin-2-one	33.33	184.12083	2.145
PEG n10	71.43	475.29844	2.23	DTPCFIHYWYONMD-UHFFFAOYSA-N	3164	71989			79689
(1S)-1,5-Anhydro-1-benzyl-D-galactitol	28.01	254.11483	1.544
N,N'-Diphenylguanidine	31.58	211.11063	2.104
etilefrine	30.43	181.11006	2.013	SQVIAVUSQAWMKL-UHFFFAOYSA-N	7272	3190			3306
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one	40	182.09404	1.884
N-Methylmescaline	13.64	225.13617	1.602
trans-p-Coumaraldehyde	52.78	148.05229	1.511
cumidine	10.53	135.10454	2.298	LRTFPLFDLJYEKT-UHFFFAOYSA-N	982	13853758			7464
(2E,4Z)-N-Isobutyl-2,4-decadienamide	65.96	223.19333	1.547
Serotonin	18.18	176.09467	4.341	QZAYGJVTTNCVMB-UHFFFAOYSA-N	123	5013	HMDB00259	C00780	5202
1,5-Naphthalenediamine	14.29	158.08419	5.785	KQSABULTKYLFEV-UHFFFAOYSA-N	2844	15851		C19463	16720
NP-021018	85.37	208.10961	1.792
Glucosamine	47.37	179.07904	5.296	MSWZFWKMSRAUBD-QZABAPFNSA-N	1790	390201	HMDB30091	C08349	441477
2-Amino-9,10-epoxy-8-oxodecanoic acid	46.3	215.11531	1.647
PPG n4	28.13	250.17735	1.631	QVHMSMOUDQXMRS-UHFFFAOYSA-N	5462	82386			91234
4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzoic acid	69.09	380.19609	1.86
Dihydrothymine	35.71	128.05861	9.158	NBAKTGXDIBVZOO-UHFFFAOYSA-N	398	84456	HMDB00079	C00906	93556
Pogostone	59.09	224.10452	1.512
N-Nitrosodiethylamine	10	102.07958	1.881	WBNQDOYYEUMPFS-UHFFFAOYSA-N	3401	5708		C14422	5921
Diisodecyl phthalate	58.33	446.33884	1.357	ZVFDTKUVRCTHQE-UHFFFAOYSA-N	8765	30996			33599
Cedefingol	41.32	343.3081	1.401
NP-019360	70.37	172.07321	1.878
(2S)-2-Amino-4-hexynoic acid	43.48	127.06329	4.594
S-Allyl-L-cysteine	76.92	161.05085	3.517
2-Hexyl-5-methyl-3(2H)-furanone	54.55	182.13057	1.482
4-Hydroxybenzaldehyde	19.51	122.03672	6.932	RGHHSNMVTDWUBI-UHFFFAOYSA-N	234	123	HMDB11718	C00633	126
Imagabalin	84.21	173.14122	3.628
carisoprodol	14.29	260.17311	3.955	OFZCIYFFPZCNJE-UHFFFAOYSA-N	665	2478		C07927	2576
2,2'-Iminodipropan-1-ol	70	133.11009	4.903
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid	61.96	310.21397	1.488
L-decyline	76.19	187.15694	1.733
2-[(Carboxymethyl)amino]-7-octenoic acid	47.83	215.11541	3.981
PEG n11	42.86	519.32457	2.249	PSVXZQVXSXSQRO-UHFFFAOYSA-N	3165	73316			81260
2-Oxindole	33.33	133.05255	2.06	JYGFTBXVXVMTGB-UHFFFAOYSA-N	616	284794		C12312	321710
(4E)-3-Hydroxy-2,4-dimethyl-4-heptenamide	60.87	153.1151	1.966	KYKBHRVKONYRBO-AATRIKPKSA-N	8012	29814520			51136348
2-Butyl-5-ethyl-4-methyloxazole	54.76	167.13082	1.875
Bethanidine	33.33	177.12628	2.368
Putrescine	36.36	88.10045	2.711	KIDHWZJUCRJVML-UHFFFAOYSA-N	3394	13837702	HMDB01414	C02896	1045
7-Isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthrene	35.94	254.2027	1.441
6-Methylquinoline	22.22	143.07343	5.78	LUYISICIYVKBTA-UHFFFAOYSA-N	2933	6792	HMDB33115		7059
6-Phenylhex-3-en-2-one	35.71	174.10425	1.399
5-Butyloxazole	31.25	125.084	1.683
2-Mercaptoethanol	25	78.01438	2.16
ethambutol	16.67	204.18344	1.95	AEUTYOVWOVBAKS-UHFFFAOYSA-N	1032	3164		C06984	3279
(±)8(9)-EET	69.35	303.24043	1.882
deoxyhypusine	29.41	217.17866	2.215
Panthenol	56.52	205.1311	2.162	SNPLKNRPJHDVJA-UHFFFAOYSA-N	535	4516	HMDB04231		4678
.	41.18	101.08431	3.359	WWZKQHOCKIZLMA-UHFFFAOYSA-N	2704	370	HMDB00482	C06423	379
PEG n12	45.45	563.35041	2.266	WRZXKWFJEFFURH-UHFFFAOYSA-N	3166	73305			81248
?-Coniceine	20	125.12037	2.502
9-Anthroic acid	21.43	222.06775	2.045
Myristamide	52.27	227.22473	1.463
2,6-di-tert-butyl-4-ethylphenol	26.67	234.19821	1.488
5-(4-Hydroxyphenyl)pentanoic acid	30.33	194.09404	1.481
4-[1-Cyclohexyl-2-(2-piperidinyl)ethyl]cyclohexanol	34.85	293.27044	1.46
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid	42.22	184.07323	1.887
1721512	73.33	115.06341	2.265
Alvameline	15.38	193.13126	7.624
2-Pyrrolidone	25	85.05316	2.633
N6-Me-Adenosine	11.11	281.11185	6.989	VQAYFKKCNSOZKM-UHFFFAOYSA-N	10245	1798			1869
2-Anisidine	12.5	123.06834	2.794	VMPITZXILSNTON-UHFFFAOYSA-N	8306	13860775			7000
Bis(2-ethylhexyl) amine	41.07	241.27645	1.94	SAIKULLUBZKPDA-UHFFFAOYSA-N	3310	7503			7791
Linamarin	20.37	247.10504	1.874
Adenosine	66.67	267.09602	2.86	OIRDTQYFTABQOQ-KQYNXXCUSA-N	297	186	HMDB00050	C00212	60961
4-oxododecanedioic acid	16.67	266.11251	1.973
PEG n13	36.84	607.37657	2.29	AKWFJQNBHYVIPY-UHFFFAOYSA-N	3167	78633			87168
N-Pentacosanoylglycine	65.38	439.4018	2.042
Octyl cyanoacrylate	50	209.14141	1.877
3,4,5-Trimethoxyphenyl acetate	33.33	226.08374	1.979
Cyclo(leucylleucine)	81.82	226.16748	2.106
5,6-Dimethylbenzimidazole	14.29	146.08422	2.599	LJUQGASMPRMWIW-UHFFFAOYSA-N	1749	655	HMDB03701	C03114	675
2,6-Diamino-4-hexenoic acid	25	144.08972	2.391
Monobutyl phthalate	47.62	222.08875	1.88	YZBOVSFWWNVKRJ-UHFFFAOYSA-N	2821	8257	HMDB13247		8575
tybamate	46.43	274.18894	2.013
MFCD00025555	53.85	202.13135	2.331
Basic Violet 1	45.45	357.2192	2.049	AMPCGOAFZFKBGH-UHFFFAOYSA-N	8310	144545			164877
N-pentylpantothenamide	14.81	288.2043	2.025
6-(Methoxymethyl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-ol	21.62	237.05506	1.879	QSTGZLCZEQENNA-UHFFFAOYSA-N	6856	2026299			2744811
Hordenine	11.9	165.11527	1.884	KUBCEEMXQZUPDQ-UHFFFAOYSA-N	7293	61609	HMDB04366	C06199	68313
METABOLITES_END
#END