#METABOLOMICS WORKBENCH sbhattacharya_20240611_104138 DATATRACK_ID:4907 STUDY_ID:ST003280 ANALYSIS_ID:AN005373 PROJECT_ID:PR002032
VERSION 1
CREATED_ON June 21, 2024, 1:26 pm
#PROJECT
PR:PROJECT_TITLE Metabolomic Analysis of Axon Regeneration in Xenopus laevis
PR:PROJECT_SUMMARY CNS injuries of the anuran amphibian, Xenopus laevis, are uniquely befitted for
PR:PROJECT_SUMMARY studying the molecular compositions of neuronal regeneration of retinal ganglion
PR:PROJECT_SUMMARY cells (RGC) due to a functional recovery of optic axons disparate to adult
PR:PROJECT_SUMMARY mammalian analogues. RGCs and their optic nerve axons undergo irreversible
PR:PROJECT_SUMMARY neurodegeneration in glaucoma and associated optic neuropathies, resulting in
PR:PROJECT_SUMMARY blindness in mammals. Conversely, Xenopus demonstrates RGC lifetime-spanning
PR:PROJECT_SUMMARY regenerative capabilities after optic nerve crush, inciting opportunities to
PR:PROJECT_SUMMARY compare de novo regeneration and develop efficient pharmaceutical approaches for
PR:PROJECT_SUMMARY vision restoration. Studies revealing metabolome alterations during optic nerve
PR:PROJECT_SUMMARY regeneration are sparse and could serve as a solid foundation for these
PR:PROJECT_SUMMARY underlying molecular changes. We profile the metabolite changes in the optic
PR:PROJECT_SUMMARY tissues of a transgenic line of 1 year old Xenopus laevis Tg(islet2b:gfp) frogs
PR:PROJECT_SUMMARY that either had a monocular surgery of either a left optic crush injury (crush)
PR:PROJECT_SUMMARY or sham surgery (sham). The matching controls of uninjured right optic nerves
PR:PROJECT_SUMMARY were also collected (control). Tg(islet2b:gfp) frogs were allowed to recover for
PR:PROJECT_SUMMARY 12 and 27 days post optic nerve crush. Following euthanasia, the tissues were
PR:PROJECT_SUMMARY collected for metabolomic analysis. Samples were pooled for each category
PR:PROJECT_SUMMARY (crush, sham, and control) at n =3 to obtain sufficient metabolite
PR:PROJECT_SUMMARY concentrations for analysis. Metabolites were extracted using a Precellys
PR:PROJECT_SUMMARY Homogenizer and a serial extraction method: (1) 1:1 Methanol/Water and (2) 8:1:1
PR:PROJECT_SUMMARY Acetonitrile/Methanol/Acetone. Metabolites were analyzed by untargeted liquid
PR:PROJECT_SUMMARY chromatography-mass spectrometry (LC MS-MS) profiling using a Q-Exactive
PR:PROJECT_SUMMARY Orbitrap instrument coupled with Vanquish Horizon Binary UHPLC LC-MS system.
PR:PROJECT_SUMMARY Metabolites were identified and quantified using Compound Discoverer 3.3 and
PR:PROJECT_SUMMARY isotopic internal metabolites standards.
PR:INSTITUTE University of Miami
PR:DEPARTMENT McKnight - Ophthalmology
PR:LABORATORY Bhattacharya Lab
PR:LAST_NAME Bhattacharya
PR:FIRST_NAME Sanjoy
PR:ADDRESS 1638 NW 10th Avenue, Room 706-A, Miami, FL 33136
PR:EMAIL sbhattacharya@med.miami.edu
PR:PHONE 3054824103
#STUDY
ST:STUDY_TITLE Metabolomic analysis of Axon Regeneration in Xenopus laevis Optic Nerve
ST:STUDY_SUMMARY We profile the metabolite changes in the optic nerve of a transgenic line of 1
ST:STUDY_SUMMARY year old Xenopus laevis Tg(islet2b:gfp) frogs that either had a monocular
ST:STUDY_SUMMARY surgery of either a left optic crush injury (crush) or sham surgery (sham). The
ST:STUDY_SUMMARY matching controls of uninjured right optic nerves were also collected (control).
ST:STUDY_SUMMARY Tg(islet2b:gfp) frogs were allowed to recover for 12 and 27 days post optic
ST:STUDY_SUMMARY nerve crush. Following euthanasia, the tissues were collected for metabolomic
ST:STUDY_SUMMARY analysis. Samples were pooled for each category (crush, sham, and control) at n
ST:STUDY_SUMMARY =3 to obtain sufficient metabolite concentrations for analysis. Metabolites were
ST:STUDY_SUMMARY extracted using a Precellys Homogenizer and a serial extraction method: (1) 1:1
ST:STUDY_SUMMARY Methanol/Water and (2) 8:1:1 Acetonitrile/Methanol/Acetone. Metabolites were
ST:STUDY_SUMMARY analyzed by untargeted liquid chromatography-mass spectrometry (LC MS-MS)
ST:STUDY_SUMMARY profiling using a Q-Exactive Orbitrap instrument coupled with Vanquish Horizon
ST:STUDY_SUMMARY Binary UHPLC LC-MS system. Metabolites were identified and quantified using
ST:STUDY_SUMMARY Compound Discoverer 3.3 and isotopic internal metabolites standards.
ST:INSTITUTE University of Miami
ST:DEPARTMENT McKnight - Ophthalmology
ST:LABORATORY Bhattacharya Lab
ST:LAST_NAME Bhattacharya
ST:FIRST_NAME Sanjoy
ST:ADDRESS 1638 NW 10th Avenue, Room 706-A, Miami, FL 33136
ST:EMAIL sbhattacharya@med.miami.edu
ST:PHONE 3054824103
#SUBJECT
SU:SUBJECT_TYPE Amphibian
SU:SUBJECT_SPECIES Xenopus laevis
SU:TAXONOMY_ID 8355
SU:GENDER Not applicable
#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 - CTL_12dpi_ON1_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_POS1.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_POS2.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_POS3.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_POS1.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_POS2.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_POS3.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_POS1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_POS2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_POS3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_POS1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_POS2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_POS3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_POS1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_POS2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_POS3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_POS1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_POS2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_POS3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_POS1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_POS2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_POS3.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_NEG3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_POS1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_POS2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_POS3.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_NEG1.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_NEG2.raw
SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_POS1.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_POS2.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_POS3.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_POS1.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_POS2.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_POS3.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_POS1.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_POS2.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_POS3.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_POS1.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_POS2.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_POS3.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_ON_POS1 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_ON_POS1.raw
SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_ON_POS2 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_ON_POS2.raw
SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_ON_NEG1 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_ON_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_ON_NEG2 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_ON_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_ON_POS1 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_ON_POS1.raw
SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_ON_POS2 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_ON_POS2.raw
SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_ON_NEG1 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_ON_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_ON_NEG2 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_ON_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_POS1.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_POS2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_POS3.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_POS1.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_POS2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_POS3.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_POS1.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_POS2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_POS3.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_POS1.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_POS2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_POS3.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_NEG3.raw
SUBJECT_SAMPLE_FACTORS - Blank_POS1 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_POS1.raw
SUBJECT_SAMPLE_FACTORS - Blank_POS2 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_POS2.raw
SUBJECT_SAMPLE_FACTORS - Blank_POS3 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_POS3.raw
SUBJECT_SAMPLE_FACTORS - Blank_NEG1 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_NEG1.raw
SUBJECT_SAMPLE_FACTORS - Blank_NEG2 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_NEG2.raw
SUBJECT_SAMPLE_FACTORS - Blank_NEG3 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_NEG3.raw
#COLLECTION
CO:COLLECTION_SUMMARY The tissue was removed via dissection from the optic nerve head to the optic
CO:COLLECTION_SUMMARY chiasm. The optic nerves were collected at 12- and 27-days post crush and
CO:COLLECTION_SUMMARY separated into biological samples. Due to the small tissue and metabolomics
CO:COLLECTION_SUMMARY resolution constraints, tissues were pooled to generate higher signal
CO:COLLECTION_SUMMARY intensities. A total of 3 optic nerves were pooled into one tube.
CO:SAMPLE_TYPE Eye tissue
#TREATMENT
TR:TREATMENT_SUMMARY Optic nerves from each transgenic Tg(Islet2b:EGFP-RPL10a) Xenopus laevis frogs,
TR:TREATMENT_SUMMARY 3.5 - 5.0 cm in length, underwent monocular surgery of either a left optic crush
TR:TREATMENT_SUMMARY injury (crush) or sham surgery (sham). The matching controls of uninjured right
TR:TREATMENT_SUMMARY optic nerves were also collected (control). Operated individuals were
TR:TREATMENT_SUMMARY anesthetized with 0.05% ethyl 3-aminobenzoate methanesulfonate (Sigma, USA).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Optic nerves remained on dry ice to prevent metabolite degradation while the
SP:SAMPLEPREP_SUMMARY metabolite extraction was conducted. Tissues were transferred to 0.5mL Soft
SP:SAMPLEPREP_SUMMARY Tissue Lysing Kit Precellys tubes containing beads. Then, 84 µL of chilled 1:1
SP:SAMPLEPREP_SUMMARY MeOH/H2O were added to Precellys tube. Pre-extraction internal standards were
SP:SAMPLEPREP_SUMMARY added to the tubes: 5µl of 1mg/ml Caffeine 13C6, 5µl of 1mg/ml D-Glucose 13C6,
SP:SAMPLEPREP_SUMMARY 5µl of 1mg/ml Oleic Acid 13C5, and 1µl of 5mg/mL Isoleucine 13C6 to each
SP:SAMPLEPREP_SUMMARY sample. Tissues were homogenized using Precellys 24 Touch. Cycle parameters: 2
SP:SAMPLEPREP_SUMMARY cycles: 30 seconds homogenization at 4500 rpm, 10 seconds rest. Homogenate was
SP:SAMPLEPREP_SUMMARY transferred to a microcentrifuge tube and centrifuged at 18000xrcf for 20 min at
SP:SAMPLEPREP_SUMMARY 4°C. Then, collect supernatant and transfer pellet to Precellys Lysing Kit
SP:SAMPLEPREP_SUMMARY tube. Add 84uL of 8:1:1 Acetonitrile/Methanol/Acetone to pellet and add the rest
SP:SAMPLEPREP_SUMMARY of the pre-extraction internal standards: 5µl of 1mg/ml Caffeine 13C6, 5µl of
SP:SAMPLEPREP_SUMMARY 1mg/ml D-Glucose 13C6, 5µl of 1mg/ml Oleic Acid 13C5, 1µl of 5mg/mL Isoleucine
SP:SAMPLEPREP_SUMMARY 13C6. Final pre-extraction internal standards concentrations are 50μg/mL.
SP:SAMPLEPREP_SUMMARY Homogenization cycles were repeating using Precellys 24 Touch. Centrifuge as
SP:SAMPLEPREP_SUMMARY before and add second supernatant to first round of collected supernatant.
SP:SAMPLEPREP_SUMMARY Centrifuge at 1800xrcf for 20 min once more to remove any remaining tissue
SP:SAMPLEPREP_SUMMARY debris. Collect supernatant and dry supernatant in Speedvac. Two extraction
SP:SAMPLEPREP_SUMMARY blanks were prepared in the same manner as the biological samples. Dried samples
SP:SAMPLEPREP_SUMMARY were reconstituted immediately in 0.1% formic acid in 44.75µL of HPLC-MS grade
SP:SAMPLEPREP_SUMMARY water. Post-extraction internal standards were added: 25 µl of 5mg/ml
SP:SAMPLEPREP_SUMMARY Phenylalanine 13C6, 2.5 µl of .5mg/ml Uracil 13C 15N2, 1.25 µl of 1mg/ml
SP:SAMPLEPREP_SUMMARY Arginine 13C6, 1.25 µl of 1mg/ml Serine 13C3 to each sample.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY Positive ion mode
CH:CHROMATOGRAPHY_TYPE HILIC
CH:INSTRUMENT_NAME Thermo Vanquish
CH:COLUMN_NAME Thermo Accucore Amide HILIC (150 x 2.1mm, 2.6um)
CH:SOLVENT_A 95% acetonitrile/5% water; 10mM Ammonium Formate; 0.1% formic acid
CH:SOLVENT_B 50% acetonitrile/50% water; 10mM Ammonium Formate; 0.1% formic acid
CH:FLOW_GRADIENT The gradient began at 1.0% B for 1 min, then shifted to 95.0% B for 9 minutes,
CH:FLOW_GRADIENT then stayed at 95.0% B for 1 min before ramping down quickly to 1.0% B for 5
CH:FLOW_GRADIENT minutes.
CH:FLOW_RATE 0.5 ml/min
CH:COLUMN_TEMPERATURE 35 C
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:ION_MODE POSITIVE
MS:MS_COMMENTS The samples were run using a Q ExactiveTM mass spectrometer coupled to a heated
MS:MS_COMMENTS electrospray ionization (HESI) source. The spray voltage was set to 3.50 kV,
MS:MS_COMMENTS capillary temperature to 350°C, sheath gas to 55, aux gas to 14, sweep gas to
MS:MS_COMMENTS 4, and S-Lens RF Level to 30.0. The mass range was set to 67 – 1000 m/z,
MS:MS_COMMENTS resolution 140,000 for full scan and 35,000 for ddMS2. AGC target was set to 1e6
MS:MS_COMMENTS for full scan and 2e5 for ddMS2. The max injection time (IT) was 100 seconds for
MS:MS_COMMENTS full scan mode and 50 seconds for ddMS2. The number of microscans was 2, and
MS:MS_COMMENTS normalized collision energy (NCE) was set to 20, 35, and 50. Samples were run in
MS:MS_COMMENTS both positive and negative ion mode separately. The parameters for negative mode
MS:MS_COMMENTS were the same except the spray voltage, which was set to 2.50 kV and capillary
MS:MS_COMMENTS temperature to 380°C. Metabolites were identified from their Thermo.RAW scans
MS:MS_COMMENTS using Compound DiscovererTM 3.3 software. Extraction blanks were used to
MS:MS_COMMENTS determine and correct for reagent effects, allow for the creation of exclusions
MS:MS_COMMENTS lists, mark background components, and filters the background components from
MS:MS_COMMENTS the results table in Compound DiscovererTM 3.3. Pooled QCs were used for initial
MS:MS_COMMENTS compound normalization and identification. All non-identified compounds were
MS:MS_COMMENTS removed.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS Peak area
MS_METABOLITE_DATA_START
Samples CTL_12dpi_ON1_POS1 CTL_12dpi_ON1_POS2 CTL_12dpi_ON1_POS3 CTL_12dpi_ON2_POS1 CTL_12dpi_ON2_POS2 CTL_12dpi_ON2_POS3 CTL_27dpi_ON1_POS1 CTL_27dpi_ON1_POS2 CTL_27dpi_ON1_POS3 CTL_27dpi_ON2_POS1 CTL_27dpi_ON2_POS2 CTL_27dpi_ON2_POS3 CTL_27dpi_ON3_POS1 CTL_27dpi_ON3_POS2 CTL_27dpi_ON3_POS3 CTL_27dpi_ON4_POS1 CTL_27dpi_ON4_POS2 CTL_27dpi_ON4_POS3 CTL_27dpi_ON5_POS1 CTL_27dpi_ON5_POS2 CTL_27dpi_ON5_POS3 CX_12dpi_ON1_POS1 CX_12dpi_ON1_POS2 CX_12dpi_ON1_POS3 CX_12dpi_ON2_POS1 CX_12dpi_ON2_POS2 CX_12dpi_ON2_POS3 CX_12dpi_ON3_POS1 CX_12dpi_ON3_POS2 CX_12dpi_ON3_POS3 CX_12dpi_ON4_POS1 CX_12dpi_ON4_POS2 CX_12dpi_ON4_POS3 CX_27dpi_ON1_POS1 CX_27dpi_ON1_POS2 CX_27dpi_ON1_POS3 CX_27dpi_ON2_POS1 CX_27dpi_ON2_POS2 CX_27dpi_ON2_POS3 CX_27dpi_ON3_POS1 CX_27dpi_ON3_POS2 CX_27dpi_ON3_POS3 CX_27dpi_ON4_POS1 CX_27dpi_ON4_POS2 CX_27dpi_ON4_POS3 CX_27dpi_ON5_POS1 CX_27dpi_ON5_POS2 CX_27dpi_ON5_POS3 CX_27dpi_ON6_POS1 CX_27dpi_ON6_POS2 CX_27dpi_ON6_POS3 Left_ON_SHAM1_POS1 Left_ON_SHAM1_POS2 Left_ON_SHAM1_POS3 Left_ON_SHAM2_POS1 Left_ON_SHAM2_POS2 Left_ON_SHAM2_POS3 Left_ON_SHAM3_POS1 Left_ON_SHAM3_POS2 Left_ON_SHAM3_POS3 Left_ON_SHAM4_POS1 Left_ON_SHAM4_POS2 Left_ON_SHAM4_POS3 Pooled_QC1_MS1_ON_POS1 Pooled_QC1_MS1_ON_POS2 Pooled_QC2_MS1_ON_POS1 Pooled_QC2_MS1_ON_POS2 Right_ON_SHAM1_POS1 Right_ON_SHAM1_POS2 Right_ON_SHAM1_POS3 Right_ON_SHAM2_POS1 Right_ON_SHAM2_POS2 Right_ON_SHAM2_POS3 Right_ON_SHAM3_POS1 Right_ON_SHAM3_POS2 Right_ON_SHAM3_POS3 Right_ON_SHAM4_POS1 Right_ON_SHAM4_POS2 Right_ON_SHAM4_POS3 Blank_POS1 Blank_POS2 Blank_POS3
Factors Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:QC Sample source:Optic Nerve | Treatment:QC Sample source:Optic Nerve | Treatment:QC Sample source:Optic Nerve | Treatment:QC Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:NA | Treatment:Extraction Blank Sample source:NA | Treatment:Extraction Blank Sample source:NA | Treatment:Extraction Blank
(-)-Borneol 1831923.393 774929.0047 2523896.708 951455.2158 3589412.273 19575734.36 1892044.666 5753699.48 1795459.028 1240001.01 893320.5753 2631446.075 1932085.175 794318.0252 3324831.089 95755.85856 361039.1139 468532.4822 2178837.317 28441528.46 498871.2561 865885.0622 1685054.098 1389145.531 4149532.504 21007762.2 2453844.564 3651178.709 3765257.696 1437605.027 5618123.704 12586855.59 7699773.122 8342813.165 3383532.061 2041269.752 318577.071 10122992.17 13347488.71 1534019.982 6059146.82 1626817.794 1325307.64 989113.5532 973993.2589 2460697.698 1445863.452 1523520.102 2808463.095 616908.9762 186107.1285 1163565.049 2922692.988 5283274.938 390067.9955 3574989.154 1452454.099 1140461.617 224440.2033 281807.446 211722.1988 3121755.662 2467594.575 4271646.738 20466487.32 4619966.602 4996240.607 3710762.078 7560489.933 4197928.085 855777.2905 9357895.785 50017384.67 584345.1905 4968571.873 4336698.878 389956.4617 2278184.977 2907768.948 149350.7291 314416.829 148281.92
(-)-cassine 563058.6166 617637.7343 368258.8371 363076.1596 2923956.527 1039532.927 342142.3608 191238.4642 327528.2764 604072.0398 392722.6639 283414.5189 121209.5091 674752.0731 430267.2981 530211.6145 241924.3169 334192.8474 223158.1364 426872.6034 332040.2715 360668.6624 237976.3637 54054.61202 264660.0615 269651.2978 159703.9148 340686.5794 302874.7665 160664.9927 1115033.662 266974.2953 242747.9684 417981.3665 279574.9658 553680.101 848931.3031 440579.748 230216.9887 200081.0151 435727.3917 497659.9416 1312931.672 1623453.521 319168.7084 347872.9009 244143.1819 717920.5982 1098611.933 198383.1918 165823.5096 173572.2825 439734.0341 686243.599 311825.3897 355623.1888 761921.1138 253518.6205 1207453.589 1866991.656 337866.3899 448857.3072 173257.479 643816.7014 317383.2374 417900.5763 740029.1618 409800.1666 2494736.776 1020727.196 756667.2108 1111983.526 273475.9428 411222.085 697026.7882 649239.5108 378351.2847 315445.0719 254165.5934 236618.4329 36656.00367 20927.08176
(-)-Lupinine 13390880.19 38454175.24 53505186.99 26231494.7 30291670.88 44672492.09 45288821.08 32677512.25 40254315.41 59062551.9 40307056.17 61915462.71 42303912.15 82177331.47 47731071.02 70749487.51 37541243.92 29798870.82 42248380.65 117885578.8 97609764.97 34269418.99 38046063.62 60705811.93 53253931.9 52076137.47 34549150.46 38882996.76 29807109.16 85012880.02 52711209.62 26499981.2 50387160.75 42211697 43845211.17 58738306.57 63981367.31 114946378.3 31606170.76 30433175.54 24916620.55 33211123.91 66909270.42 88191496.16 55368617.97 52715695.18 48383686.05 53303268.73 61316050.25 24204893.51 31723991.25 31011608.57 86453671.83 55589048.21 26762349.92 74431560.9 28034343.86 48488855.33 44039884.89 33270341.79 26581669.74 47221789.33 46771378.36 27557979.21 42775477.82 33058482.08 104549025.6 25278215.79 21295740.72 30870096 16717707.24 43680669.63 55141796.81 22444073.69 28171831.12 127455424.9 30174897.11 39052541.94 46469366.13 4275617.731 3685557.598 576370.8617
(-)-Phaseollin 14270.12498 31867.5242 113881.8674 50181.04239 260559.1029 207856.1326 12015.91778 207999.0855 21160.26984 10977.13788 9141.699267 25583.07679 194017.6376 571674.1392 8007.238785 341514.2195 40394.58054 244174.8547 289147.2957 344441.6324 67205.32656 336261.4032 162176.7565 51361.80889 10129.18071 304629.4582 179522.1862 172323.9419 82926.88152 6836.198252 165062.944 122898.624 259236.9408 602549.083 57237.71155 95093.60712 31121.64105 101879.1878 523988.5532 14417.55901 8722.639132 38536.87089 28436.99111 29078.77815 104077.982 142456.7034 62236.7586 83816.81668 91812.01055 60428.3987 14945.03122 16494.55179 61958.12192 122916.8777 39242.8906 36914.2694 58437.87832 10698.27924 82193.60539 30016.44724 192084.8327 20407.15839 393928.8585 36736.51385 155195.0375 208387.0604 48378.98742 445518.7166 180617.4557 56515.27334 137438.9903 530261.6508 9784.919615 9332.198486 323267.7137 15154.90786 8482.140955 8532.86324 231301.886 3553.208712 2395.32691 3019.042044
(-)-Salsoline 3212.761905 4944.23753 3148.41566 9519.988581 5946.441504 7985.164698 639484.3176 748521.4024 263099.4661 373808.0495 86932.09408 1339373.794 276073.386 540081.5576 187770.7933 196686.1732 77852.23389 158711.6562 212562.2831 5824.027259 306302.1587 9249.922629 242924.8692 45640.26047 124471.5702 67873.26518 243171.6728 16714.31099 78391.16648 5296.705679 11202.57688 3435.754264 2949.634986 104405.5894 32683.1004 9832.053498 46713.37768 1386857.333 6475.40842 170037.8733 78874.31992 686343.8826 822603.1636 1828645.874 2034016.416 813392.4859 182551.7041 315899.4178 253630.7218 1461606.853 1943585.124 379005.2052 1688923.591 23840.44824 536702.2024 508302.4881 203390.2219 37474.06798 532512.0991 630161.209 76706.61777 811341.0024 20330.59331 8282.943933 82326.34706 12711.79663 232370.7761 5329.03791 5627.806184 3490.685782 11495.99287 5860.996442 31330.89116 7314.003264 99912.83156 4849.760151 34494.46847 167686.5543 217032.9262 42881.54054 199032.0881 2478.054468
(-)-trans-Carveol 315340.7093 120478.8409 45590.30526 8048.35574 221023.8686 134050.6072 9688.807097 52569.29119 11105.81832 3277.789666 41062.32794 1948.495143 1617.539511 7794.501755 1943.630815 26811.76937 19243.25535 3790.205154 6581.419354 53604.67239 5388.723938 31486.9366 9557.319328 16756.92861 17767.45453 21728.59445 9538.964201 30675.87388 16712.78451 12982.50121 60571.40519 32073.222 5754.674162 8216.575266 4835.713473 13350.70424 13204.46976 2309.342912 21462.85582 73912.41593 17127.33433 18971.74617 29394.902 30032.00368 12741.35385 3319.396466 12856.10844 54546.65874 24580.28533 16985.0588 6593.544111 34731.09328 15674.27067 47640.38619 15161.02187 4079.083655 34761.71565 17668.53596 64065.72008 23137.97209 68434.03111 10606.24283 87374.7217 166786.1509 24961.25649 21117.03873 24691.86573 211526.4416 28501.2258 11107.67872 39821.46917 9128.815942 35499.25524 272779.4947 34699.61734 241688.0981 20056.28837 37497.42702 200648.6815 4332.662636 3036.803749 769.4941347
(+)-calycanthidine 3864260.628 7540810.287 8726411.925 3988677.416 2160739.9 7705398.742 726101.3743 2829305.807 483899.5755 2484649.083 715339.8772 1303021.193 135696.9543 182370.3088 259395.6571 257967.7329 1512882.362 415825.4967 462741.3899 4384995.738 1061756.02 1799263.391 1506719.612 4737033.885 611695.6255 733259.5873 159862.3094 1284771.022 1590230.345 12185170.32 1354344.772 370554.3818 1032004.289 1003184.174 13581575.76 3107863.303 7046520.678 5168656.339 5014780.55 1254766.471 597368.3593 1687597.746 764879.5704 841787.2957 1376209.338 1557712.515 1976057.063 2857408.473 132347.5918 131342.2687 135764.7779 1521588.112 505878.8167 1297916.376 503033.3419 208545.9813 466189.4067 2412622.005 191648.2809 129337.7497 1115159.005 3781972.092 2080362.142 2993792.368 2562214.921 4819105.429 2688520.465 878415.3126 2161381.69 494330.3098 4809388.574 4448840.354 979171.1985 6842246.754 1249940.008 1098987.614 2597664.053 675933.0778 305410.2567 59540.4943 9740.292397 24696.42302
(+)-N-Methylconiine 13041599.92 15714709.24 6590141.145 10512776.68 14389667.58 16128357.47 24717456.23 18616298.51 22201645.12 6286886.084 6887276.286 7396326.325 2792513.205 4348702.143 4483916.647 3264111.756 3790101.377 4657112.523 6885595.817 5627602.382 5355848.902 7577335.737 5884677.452 5855141.804 4489001.08 9918714.558 6057283.279 9717953.026 4924007.035 7172618.816 11486503.38 12251020.97 13230674.58 7761822.026 11249978.64 7296162.984 7468112.607 5380314.36 9548107.462 4980100.641 4429204.699 3491806.282 3729743.939 3089874.87 3788802.658 2477145.676 2322813.436 2537971.937 5068020.625 3498972.152 3721978.081 4411549.533 5865939.661 7800211.006 5720092.279 4140952.023 6521832.8 62649484.17 50334072.06 63031201.25 13712768.95 9065007.359 16116766.86 11599958.76 13578130.4 6448865.352 15267454.32 7765952.367 13649221.66 16052947.91 22336393.99 6749385.228 9618846.099 10432682.01 9867375.983 11166785.87 6975805.569 5991265.813 7067991.99 1317447.906 2244843.396 756720.7043
(+/-)-Eucalyptol 24340398.88 16670017.77 35139375.63 47896997.34 27012961.92 21585763.81 8331913.338 12558440.59 10525733.27 12058210.82 20305023.24 5966395.985 9152289.185 12700144.84 16982566.74 7407057.267 11540692 9678914.299 7988218.621 34448795.09 12088712.23 11865655.96 10973873.22 20671001.21 7665735.712 20311288.04 8202049.716 18637497.13 15672046.94 17355978.58 17103977.97 23287833.77 15933031.21 57471669.76 24672840.64 8816670.724 27304965.4 28538590.42 58898434.24 10801763.56 12220543.79 7630504.41 5323205.201 10485287.35 10481111.38 10655790.74 6901127.438 9070080.629 4591506.861 1814410.526 2923316.705 6322326.047 7411438.553 34073162.23 6465519.756 4185027.501 4687698.07 9162195.461 3400129.155 2858892.98 7416824.763 10150405.78 16809581 9602437.184 14278821.55 6874812.882 28057859.04 42556887.94 39220925.66 19490241.96 16397369.89 24389422.22 19080864.17 28089370.99 10970749.61 7500690.398 3675698.313 16434022.67 13408238.41 502145.8438 2311820.011 804483.787
(14E)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 2-O-butyryl-3,4,6-trideoxy-3-(dimethylamino)hexopyranoside 1930240.791 4633527.839 842773.6142 2237643.311 3638783.552 5119696.055 2140135.201 4539395.031 2180330.486 2741780.984 3964221.289 5909687.972 868635.9441 557729.721 3657414.418 1733932.797 1268916.32 1324035.494 7984726.191 1869514.364 1092816.595 2995060.059 850559.8699 2864760.416 511207.0338 3312048.373 1024806.539 1081049.06 2452622.078 1190618.104 4420580.619 3003210.651 5836800.907 3877312.139 2878317.418 3822275.65 2189503.208 2834188.715 20250953.29 2393972.676 6790481.454 1401421.172 738503.5716 918336.1368 1213271.57 1680211.62 1348595.372 1212026.25 1001419.102 1630692.836 1063283.501 742846.1763 2194659.638 2268977.879 1485914.89 3053979.998 1261847.546 1686923.202 1750626.396 1306615.187 1661387.461 1664046.337 2381174.006 4990237.049 4095412.047 3431764.884 1611214.734 6396094.727 8038575.134 7847134.186 2578284.156 4728853.753 4898369.332 6255722.548 3535342.029 3873225.509 1439167.377 4365469.661 1878278.085 426013.8155 251941.0012 211591.2183
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate 5104.750169 108139.4453 47528.83495 8728.290052 13743.2497 7166.242034 43937.02184 102167.528 23304.07775 27582.02056 31899.63825 65385.98074 38002.0351 19836.67763 35068.89165 9776.69695 200992.0788 43574.58707 225496.0526 290849.57 37974.22784 238932.9174 115321.7786 23412.77467 35191.87833 27314.51124 22672.55674 227858.8274 153085.8277 192660.4131 10083.78618 20276.2556 6045.959455 189807.2835 168047.549 86555.20563 33749.56548 50389.06209 62598.64964 121193.1209 61926.71489 76597.64191 139164.1502 98109.58644 135834.2246 687064.1872 101406.6116 284963.9206 25071.18206 26908.78181 53964.97455 393586.0477 70120.2868 195854.5384 102662.7298 43041.17464 29557.71196 56096.55174 74736.58856 27768.51309 399899.2253 441949.237 71408.2169 10535.77072 129763.9623 40221.13737 40020.61574 2747.263997 16069.31051 4848.343898 11165.81573 116477.2203 77240.52499 2168.586906 65296.77654 258644.6555 63923.47019 31197.60674 30320.80665 726.449974 7634.650258 1140.120525
(1Z,3S,4Z,6S,7E,9S,15aR)-9-sec-Butyl-1,4,7-trihydroxy-3-[(6R)-6-hydroxyoctyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one 621050.6614 91760.22983 251052.7313 459677.6296 175661.4242 420537.6355 178551.2224 156130.7709 591397.7111 209308.467 120779.2214 79341.64063 107336.158 375091.5478 76279.48216 162378.1275 178203.4521 28242.63475 105175.3428 74743.71527 247134.6659 281351.3337 122065.0582 235113.4666 61895.51394 192615.7516 245272.4883 530110.38 576572.4445 467357.04 538888.7339 289805.9786 1608947.613 39839.58179 69722.10688 155409.6633 278831.2946 136079.426 183283.824 373557.0566 149665.1124 93680.30997 111068.0676 252175.6306 68370.74655 83514.92457 48533.9836 53143.31877 119409.868 107805.089 121389.5587 78582.76249 206883.9372 131039.5865 116598.7006 376790.4947 352331.3931 122679.4017 230189.8514 138339.2862 355336.9344 103548.1182 163290.8198 213004.354 18663.55549 126936.0804 498688.3906 428179.9129 60440.68697 239289.3934 278084.2966 287965.7378 266327.2173 244354.9591 139504.1275 660022.6009 85951.60427 104144.039 159565.2737 48295.47746 42234.0935 8904.455724
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol 5471762.792 11989110.45 12916865.12 8707848.777 11445257.3 14088508.66 19127243.18 15456704.23 10870119.09 13034968.15 19689185.5 7833855.591 9481401.359 19132468.46 21545537.9 14381764.26 13384820.08 14267765.23 17621713.27 18213192.41 14022676.92 14046468.12 8777692.519 12499418.22 12089208.73 4964905.721 16233235.71 7168806.874 5488204.257 2961298.081 9189246.231 8870872.526 9526710.121 15593213.13 12320929.42 14890954.78 6905435.791 36758942.17 6709141.016 7892585.416 6658252.719 9325054.968 10527852.83 19638082.62 20040584.38 16929263.77 15101245.82 14700801.15 9713484.399 18120533.41 6054772.534 21609105.25 18012589.43 12025254.13 19671410.35 8348620.007 21069240.26 7972446.824 25462061.97 18752617.01 14736670.99 17310521.78 24667909.03 6072871.055 7082279.518 13513693.22 18799198.03 8587453.428 12237863.76 6398179.95 9977049.122 12043441.97 16717828.09 11974161.47 8978250.919 19458105.16 16304576.31 10968023.65 35409830.77 781389.8244 618018.798 370546.9531
(24R_24'R)-Fucosterolepoxide 411465.6194 1965722.277 1423704.378 2089999.752 4297219.614 4678255.439 63048.37367 475052.6284 914761.9424 218443.4941 140964.62 1554995.512 498850.3755 754120.4644 968676.1975 1509916.523 1045980.802 579389.0609 412582.9683 124210.6001 1773887.794 5269475.653 1692341.346 3557465.468 973674.2337 1233109.375 3397776.926 1764354.626 1078661.172 2811896.624 486495.2146 1747589.635 263904.9586 2237691.674 1019629.48 2875721.569 4632386.171 1489587.536 1770075.738 932096.6454 462098.4842 1650989.095 8398548.387 2770790.036 1130214.163 4027853.337 2749870.33 2980117.828 538270.8606 585386.1218 783425.3004 685326.3551 258863.8392 1074480.645 440583.3239 1705613.821 2826828.161 250495.7291 213208.2226 1583469.939 882478.2874 576578.3923 235252.073 500861.3879 622540.6635 1825922.879 1146748.137 1447653.545 7609908.226 1142396.644 412407.7384 3972462.114 144018.5101 311832.037 1067276.256 1302487.303 334548.1537 3418017.913 256081.9155 66946.53176 14428.35754 20861.86648
(2-Chlorophenyl)diphenylmethanol 106869.1291 422804.6013 684261.2015 662743.5248 348679.3817 1183407.504 792897.1725 427177.4167 401160.1548 291045.5109 944980.8526 469491.4425 854770.6666 1708575.58 1079878.476 820116.2513 586218.7837 464720.2317 390469.155 161903.4974 1050597.976 1522789.079 671818.6242 664967.3443 405473.0449 681836.9763 503349.9125 754731.4793 777272.0891 143541.4909 941972.2725 625859.1363 375070.452 16601903.7 8117214.694 1701655.17 497805.7728 688809.8263 680218.8678 554690.5236 4470897.742 445322.8753 373381.3429 445085.1696 449307.8506 443358.716 515645.7843 473287.2058 379313.269 376098.0757 472868.8394 545556.5482 403942.062 792233.9684 286373.1494 719294.7798 2318332.769 537695.5859 572969.6665 643170.1536 364878.6469 758463.2776 543074.751 2024532.974 170915.7512 344817.4804 326424.5628 530617.4618 1785176.901 58249.40426 586855.6054 236067.0935 70843.4686 628980.7201 1080024.845 78547.24238 100252.2602 492655.4786 919730.2666 114016.861 120645.6272 49375.7759
(2E)-1-(4-Hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-2-propen-1-one 348866.8805 2045583.541 3151427.252 4572658.897 1613201.249 1456553.49 3976594.48 1659766.184 717597.2975 111530.3029 4171895.576 166426.7412 232348.4805 929694.4112 502974.4626 1847340.585 2098786.885 361151.1433 474628.9245 541546.1478 1757461.426 1328009.317 1931765.524 1727905.946 1004423.333 1194567.752 1362420.764 4272431.987 644170.1475 8640027.929 2383613.912 2551615.09 2356602.151 3607600.154 1053790.903 926426.6276 416294.1738 851878.7917 1514899.425 290777.9534 231106.1471 228964.6644 1152146.368 797098.4666 355246.5638 877383.8261 339607.7345 1870019.72 1097383.979 1601055.036 586924.6747 504941.8705 2676289.001 301027.0435 3436249.376 1367916.082 2624742.154 634672.9389 691108.4408 1341001.878 745224.1324 1270035.965 185255.4948 3403302.035 430114.9757 9710956.266 1463007.627 340177.0863 746439.3931 206596.7814 52311.45643 174340.1299 131160.712 447772.0409 128456.052 4446559.345 506502.0619 476984.9411 179725.524 491001.8248 249841.5559 152016.1367
(2E)-2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile 440868.9219 38946.52036 350456.4497 37545.47872 48479.01526 400767.0855 261674.0623 114282.8153 20385.62266 561867.3951 453420.8151 1878133.696 461558.4168 165249.3871 146750.6275 216977.4659 20530.04007 996463.5399 909941.0091 64652.61494 3003532.074 225616.6866 416632.51 90118.3826 19200.47504 25578.54661 319947.5478 111639.3268 83431.49232 938607.6745 228836.1192 167841.2297 9691.394547 692008.0632 395965.5967 409829.165 907152.7608 125321.5857 1390723.058 1938434.331 3271237.256 221973.8886 349562.3245 294494.1698 845533.3618 57188.78819 223443.039 118957.6919 65365.13648 240647.8077 268604.0547 214645.2422 100921.1481 120519.5578 30216.38593 385189.145 84618.28163 25409.88168 17900.7082 11855.80657 312284.6991 358713.8482 890541.7307 246035.862 211573.6224 404108.1444 430106.8926 414546.8768 1120875.523 329342.0417 316411.24 207332.829 188448.148 351039.9852 157463.9927 79646.5746 342230.855 396883.5784 62336.32732 21997.88353 2523.371128 9901.915489
(2E)-hexadecenoylcarnitine 35301.33118 313817.2961 33588.19168 227858.788 140657.0813 277934.6073 98989.98151 101098.5268 84547.01184 63470.68476 49959.49195 72995.48054 180681.3656 109688.8224 66949.3336 136873.8614 94240.22307 60188.535 142414.215 200715.2018 187649.7444 228750.7077 284002.4032 167325.6067 139483.4172 50946.03033 46628.95663 486567.9397 455606.8478 125176.739 72856.19284 83120.70939 238204.955 49076.28875 67989.82889 76842.2225 87140.54419 90356.15125 42519.5482 100974.1965 44053.99537 68887.72712 184110.7162 95195.32007 79851.89592 48627.83546 53545.14927 60536.43778 49713.47199 50010.80823 43358.57059 274909.1119 131980.1441 1142295.148 1233077.645 599565.7186 1955718.681 173771.9155 69781.7711 94392.51632 314272.8929 258797.3838 109080.5228 65668.43461 174254.6142 114231.7453 336014.8663 58493.06625 50182.6447 68012.16569 62170.21904 451794.0357 232405.5044 30164.44202 269395.9883 115996.2543 149923.3081 620476.2625 1123598.691 1524.150795 19596.15869 9479.46149
(2E,4E,16Z)-1-(1-Piperidinyl)-2,4,16-icosatrien-1-one 22626522.67 33222943.5 46441929.48 41599871.26 49876701.79 16008710.5 14139774.37 24829218.85 23469764.46 12346467.58 23642423.93 29565194.47 10817129.14 14237537.51 17850700.82 16157530.11 10708935.26 12833752.53 10864962.45 34084555.38 11865079.89 30592426.36 8633184.195 20461512.8 11920510.66 31220156.48 9115046.939 11279540.2 21601868.58 13715462.4 30616811.99 24705411.31 35917878.62 22453333.95 17619045.46 24215214.15 14336248.18 20981117.46 59083497.98 13608786.45 18186641.04 7928365.613 9024213.823 10329436.1 6955335.436 9272085.908 8496177.737 9283308.059 7972295.586 10116588.8 6886771.7 9279543.549 23983067.43 23914606.69 11160261.56 17661639.73 22457948.72 20580202.69 16138069.11 19868237 21853228.5 24812135.43 24693810.49 17812607.61 60650885.07 15362867.16 19286414.02 22032042.68 31848670.07 50303795.07 30335459.98 23178838.83 30508925.25 33062910.03 20163495.13 25006322.48 15230882.61 19842559.72 14131220.35 4951049.578 1862988.105 3615093.337
(2E,4Z)-N-Isobutyl-2,4-decadienamide 1632341.823 1521393.814 926635.3822 2815010.741 1889962.082 2770799.523 627089.4484 1232595.291 1114565.092 561345.4211 1338359.504 1667017.007 689260.0092 708325.1717 508617.8912 894983.5675 215284.7957 1154318.246 2387198.762 1314044.09 377623.5456 3220631.291 397079.5157 1131444.846 507129.5996 730634.8112 457463.0708 881294.311 351752.9226 360378.348 932646.9244 790277.2341 3225806.963 944280.732 735880.8497 569326.2655 1458410.544 992971.9828 1096605.002 836695.8178 1258823.58 223596.0465 324253.2542 180985.1768 186524.3544 330034.7899 255326.9508 271130.0373 508505.976 437240.2633 552023.6762 574670.6721 2081007.318 2567476.326 1566550.17 1189539.92 1743880.044 1637011.555 2350628.993 1959689.818 4642849.025 1998303.154 3032652.333 2164757.515 3181758.223 903784.1421 1048805.723 2648945.166 1460055.996 5073635.476 885608.7437 2769678.643 1508061.321 2531650.186 3013581.751 2130269.74 592185.1486 717220.6058 1343032.305 149074.1274 61733.82611 71346.77486
(2E,4Z,12E)-1-(1-Piperidinyl)-2,4,12-octadecatrien-1-one 182648801.6 90000607.1 114603119.4 153041144.2 80997476.16 182297871.1 148503417.2 84977977.31 97821046.99 103900838.8 55301839.75 60639440.32 137139963 106172471.3 168199993.4 31190934.1 63485941.23 55910827.11 49006643.02 112604464.4 44099876.96 35632149.99 69624624.22 49765105.29 74709538.93 48059446.27 50930563.04 49741392.02 69501808.43 108456244 107049341.9 102619185 146035376 63856323.39 115891051.6 85497677.7 62356467.81 41554134.68 54336026.1 56271394.04 126766035.7 126282967.4 106806612.1 175820194.9 44333162.18 171697414.9 62272210.12 191062644.1 66147095.04 67752227.32 46356540.33 58747566.74 66917147.5 58121574.07 32677340.53 54310282.3 70753901.23 87341940.73 65809773.84 42125990.58 62517410.06 38827386.83 113246049.3 91772276.63 76098191.56 115420808.1 64828117.87 126203983.7 72951185.9 157335792 55319975.71 70710528.56 35779035.39 94717420.32 39354549.26 55860835.77 121415229 37481496.14 60048552.03 8125088.338 7979362.581 23819490.11
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide 464728.9858 1307897.952 308583.0734 1807963.637 217173.1976 3600078.308 449545.4616 218555.256 223359.2093 381104.4682 177600.5116 328891.7379 256255.1512 422587.165 262332.4438 302446.8318 1652586.138 178265.7698 347105.388 607623.9194 242869.2185 2689249.282 1860988.384 8524174.403 100821.573 158626.1129 114604.9538 179112.8208 461965.1064 282195.1735 188952.1824 951200.8519 38367.83411 354395.0112 226935.3957 603056.5279 501934.458 174704.3567 130181.8226 213749.6706 382417.4781 259306.5214 349867.3091 1084445.99 263596.4651 2911445.627 2821618.749 906171.4791 528988.7053 441741.0584 449012.5442 846377.4955 279910.3759 3806283.485 132703.8946 111721.1034 152926.7675 613321.8124 1537088.913 273401.1935 1318144.934 1595572.092 256933.0767 251133.4736 178684.7353 188231.165 663411.542 209044.4952 62833.50721 197162.3255 205416.962 395717.1932 1950170.463 411146.8221 200149.3161 617089.3108 295389.881 370198.4351 133248.8778 11019.92614 44114.72431 14996.42675
(2E,6Z)-N-Ethyl-2,6-nonadienamide 711770.1198 1321276.707 694551.4656 1105264.585 637490.7444 1254738.272 1061110.604 777866.816 827461.5288 1225842.499 853536.0326 1257231.93 626553.9471 630895.6071 699520.2427 923177.7264 677129.9049 291069.233 755118.6224 388522.549 821945.4169 732152.0147 341579.5668 562673.3814 563803.8562 671334.5507 136863.0973 656581.7539 391584.0374 898429.8146 1255787.552 1892859.72 3677389.54 478724.4693 701942.602 640763.8216 667507.8249 516942.9104 1727524.443 489124.419 897983.48 604454.7826 344144.0777 532340.6743 332568.8777 251240.1517 312215.7416 392888.5428 1019044.857 779534.5165 209384.1353 387810.1072 483567.2355 1778532.37 786039.2722 631203.6056 2109777.066 482736.6976 2104712.717 1507864.973 2494453.339 1319410.792 466631.8873 1100410.636 1611690.234 507922.4332 1497349.104 1093536.804 1051173.563 2276029.304 1676340.751 1142500.598 893845.9563 2232852.604 531627.7781 1007584.669 978725.052 1955915.118 895685.5143 168230.2445 91343.93416 67708.77518
(2R)-1-(Phosphonooxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate 2231388.733 1451836.019 1667314.867 522109.8356 1401917.378 277326.2966 115625.2037 811726.4168 661986.5318 3710553.359 2714427.494 61618.41951 60934.93719 32000.129 100159.5827 33485.78035 91328.18614 46188.572 67444.92397 446173.7226 341863.6504 162621.7806 733801.4595 355200.6435 770171.4454 824391.3276 124761.246 525541.3107 1554773.068 1881606.005 522738.1859 725398.6371 1501108.002 100149.0727 156749.2926 424338.264 412871.0737 312742.395 1069851.451 1750871.945 59286.27801 140157.5339 55110.81067 52890.86432 54306.44132 47432.74867 72211.17189 47906.32127 41381.49951 51329.52351 43716.21353 498765.137 44861.39879 86058.41222 1102479.419 240283.3183 264776.0163 508800.8453 142423.4411 860532.9957 415724.2097 189679.3295 135886.2559 1519351.077 200825.8649 317320.873 736441.8406 522749.18 424758.7522 1223167.788 2633637.282 3207247.153 1646120.538 848991.19 840800.4501 4091157.551 2069413.664 1579002.945 85008.16285 16945.30445 124372.8439 89856.71626
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate 29715.93551 1254712.629 165210.571 192432.1373 97025.14794 1819910.149 949957.9759 559529.2564 629107.6469 1291724.326 913692.3591 1135456.526 347436.4546 145334.0092 176115.1235 141962.3733 279774.6213 518912.2412 924159.0067 140386.1601 1220718.23 1258388.645 2434951.379 2911429.383 1634210.552 276873.778 300501.2059 2577161.116 1083103.663 80747.96104 54552.08956 318870.4038 114689.2627 763853.206 414282.1794 341337.8728 2992767.733 777229.1337 129798.8302 569990.8056 106034.6986 1425245.054 3243244.542 3398708.265 3159205.126 2152091.503 1031853.492 582774.3876 294814.3051 131047.9638 145778.7466 171230.2989 988862.8504 538237.6867 675212.1937 180452.5085 276018.8944 531074.9887 165718.4515 132673.0509 608723.414 237875.1793 868864.3341 135814.2553 309533.3687 733076.8814 466424.7214 84903.62495 117468.0586 107151.5101 111058.852 304106.6612 711964.9076 108661.3199 624355.7802 61867.32739 277931.7665 317765.8417 382663.5915 3912.26263 42645.5919 9672.089906
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate 47381.77603 2941317.728 198266.9657 230935.1982 117994.0604 2184049.488 1103581.902 2780257.113 662639.8839 3546256.977 3750226.139 1315080.778 837870.6933 1581322.746 344522.2969 3093759.331 3111734.762 2828015.981 1267005.677 145821.1283 2090660.785 10804686.87 1714684.866 11131375.75 976504.7705 5501970.189 5271488.584 13848823.14 10699781.76 1321101.298 99602.23844 896086.4863 227653.6618 14182922.19 17042810.33 17791252.64 16153780.24 11798036.64 2918055.819 7697994.79 4730285.987 6960612.126 19474337.5 18394647.93 21296947.8 12143907.42 12116795.05 14009751.41 7737293.648 8130769.085 1223928.799 5814657.912 5241950.763 3731773.967 2871213.181 3360866.558 3278241.483 637335.8915 198876.4661 264896.5586 774111.4861 3201413.126 811270.6463 990691.475 6212391.298 5779612.916 11605407.62 101891.6888 140971.8241 128591.074 133280.2221 300422.9465 2029567.249 130402.9763 1444375.083 137735.8642 333542.1437 1113131.948 264720.7335 4695.053324 51178.39648 11607.34392
(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate 428905.203 21341382.97 1161998.919 720463.6757 478788.4938 2739935.019 23982841.09 3790652.003 5786832.866 25731804.33 21728886.19 15521377.35 17974977.73 5814284.202 22353062.82 9318372.345 4752445.216 4893628.728 3962437.227 1132385.052 34995553.4 7085180.014 11200501.7 26926984.65 2584474.856 3339946.479 5180982.357 10188083.94 39151790.05 1462496.285 132642.2063 190052.7884 234566.1598 4127653.993 3645430.518 30260588.16 14748019.82 21298173.24 3542893.099 23195890.95 8847553.134 32723569.67 4860743.994 33126622.1 37088793.01 47807770.33 54296374.8 50097821.43 9663327.915 20061352 3065807.03 26632994.6 11353511.93 548759.2665 4228103.991 2859660.354 27394613.03 1639031.296 668860.3731 1277526.944 8608991.926 14997178.54 1339874.231 690517.0143 3670413.492 6676558.075 3897694.978 145097.3362 134323.4335 221703.9771 651088.0343 3491510.739 3453531.42 402115.9035 1263886.286 376380.6606 1349697.444 2733260.312 5262082.296 2768.102365 33888.34689 5843.2256
(2R)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid 56495365.55 30318816.23 121125011.2 75748197.15 41916673.49 71007947.42 22713004.8 22122716.91 28861295.24 12068545.14 41628823.27 31763998.76 8884258.724 6666627.304 19462141.48 13096250.13 12717757 20734925.35 4967940.339 97740221.97 7293181.101 57712455.99 8896443.523 26097458.92 18061114.06 47661577.6 11456272.29 8979498.792 19185919.66 16417188.38 19451188.3 27499577.69 63721085.8 26738684.18 22081135.36 27607491.26 20557470.86 41850887.67 63018214.66 18380712.59 21121269.18 11705041.89 36827163.64 5086494.797 5678701.888 13281311.62 8817530.119 16606527.39 29551749.14 11030280.53 5535101.964 45116852.62 33689828.13 184749299.7 12131377.05 49538171.58 23064596.79 35777648.84 25469966.92 12901383.16 58935054.74 66729656.93 50594201.86 79553179.23 67128180.32 23928984.28 22322982.47 59485143.1 43280386.29 88866493.05 38459776.54 33124842.07 54159096.31 48889989.36 31490722.47 55309501.6 25066744.56 21316800.69 9720930.063 4624207.064 8519545.762 8082493.361
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (9Z)-9-tetradecenoate 754553.9568 1681180.789 2869452.388 381157.3003 41768.20026 66456.73729 655711.9784 476358.9429 60836.76156 1310215.478 633208.7605 2333574.873 1385497.312 62424.64141 47940.90177 59947.81122 429938.0548 3488736.922 573237.2788 180988.1053 1290097.48 221061.3962 483186.9052 1644431.303 143085.8063 19998.42505 126796.5176 171464.684 93485.82 1709903.025 451236.3057 1601656.335 87059.67337 2393165.896 3660235.038 1600698.085 799491.0608 149247.7595 1168433.713 397817.9611 163818.0896 268026.8142 258883.7395 234906.2152 271697.1641 60366.56521 215385.9766 388958.107 189254.4919 188609.9358 319885.462 118870.2209 350471.7439 1164487.108 101675.1112 226030.0949 249616.216 813915.0291 420628.1244 199808.3961 364761.3697 427198.8565 1730326.76 703010.0256 207706.0488 602812.1131 547284.5324 204088.4001 848804.1554 1086551.222 757941.4671 837571.3564 188033.2911 316565.7974 187526.7374 33978.11169 269184.4537 246806.9865 178075.5745 26197.68023 12142.17788 5022.576477
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl (9Z)-9-tetradecenoate 410907.7125 381105.1388 32380.78918 874070.6199 555391.1201 187227.9653 4070977.044 868751.6335 2878286.491 2481283.113 1747601.93 1862469.977 914346.8041 107746.8259 236201.0489 429756.0697 3645764.264 303287.6221 1213260.501 70482.13863 6700250.29 488003.6245 1152550.097 1219993.354 430115.4298 432179.2343 479117.824 646632.5179 2138896.812 114867.3301 65986.02205 157760.3538 140750.9231 375700.123 271537.2221 347211.6432 387830.9078 138988.5831 1994482.77 256582.5649 289929.9344 788268.2122 230425.6253 249855.6257 266230.6096 216516.4504 177546.0052 168862.3642 119683.0614 542002.0906 91869.7686 1121768.405 412022.8423 176874.8708 1069986.07 2627690.48 647320.1452 96721.15343 1899251.596 529556.6858 380407.2901 1913012.958 51386.58262 78005.02559 67341.49372 618823.5078 409434.5396 152693.4872 168001.8697 972245.7701 400909.6284 325813.5012 747050.7889 856378.3337 1212668.671 626817.6882 292263.6978 602199.1243 1305151.834 22711.32375 21456.97102 7848.302165
(2Z,4E)-1-(1-Piperidinyl)-2,4-icosadien-1-one 56919760.99 41215264.64 66055032 39447647.36 54417488.63 60532899.27 39545238.59 26206994.78 38666601.04 66381718.33 55169466.64 55235705.61 66607070.82 41881938.56 57397138.34 36903154.37 18643897.3 143945836.5 43888352.92 34655005.86 30207445.69 37360555.09 31100619.58 50840954.94 20046960.82 19071369.88 15965477.31 17273401.69 16485595.82 15551745.14 44893789.5 32631446.29 28806911.73 80147319.4 51837027.89 91896477.04 53941589.03 22091378.55 39071542.04 25038546.71 62394203.26 28227528.29 18345245.87 46338158.43 25315592.39 24387150.97 17514303.5 29174699.73 26114177.25 24835450.52 32722458.51 33361697.07 20926703.53 26201774.96 24168567.19 32832518.26 22403248.65 38977510.25 19124182.24 19264366.28 32130601.6 22726705.03 56051294.85 36732572.39 53158883.25 27019387.47 26813945.17 88439920.53 81833456.21 63942802.28 40499769.97 75331829.57 57058639.81 76447195.73 61712536.81 65626845.14 39745874.12 43333398.52 52669493.27 4498767.181 1727716.244 1205531.952
(3E,5E,7E,9E,11E,13E,15E,17Z,19E)-5,9,14,18-Tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7,9,11,13,15,17,19-icosanonaen-2-one 233999.4584 101991.2436 303025.6789 209122.7295 1883033.39 1320000.737 164720.6393 1179189.517 456629.4579 795459.1078 252110.0539 296157.4596 924852.2365 422822.8469 224276.4694 248612.3877 713420.5883 1177528.813 1116740.703 3161231.953 340298.7803 415236.3379 567288.7089 846760.0265 123690.6488 257876.1802 1042877.149 451376.5987 499976.9104 333638.7598 3758077.648 1646401.273 2216018.809 874396.2857 669607.4489 419587.6576 988213.613 452375.2742 1591960.142 1294990.407 1540644.434 516131.8566 243327.4027 170808.3231 556625.5783 655265.3726 492959.3816 193373.3087 260331.7735 191573.3161 260496.3484 46086.05773 203635.6202 384903.2593 385139.5855 351927.1903 292137.3211 224802.5034 589136.4013 99920.78414 1076086.35 431716.7365 922873.1928 4098048.412 753817.2789 1046602.886 774620.4187 1451405.757 2670239.975 237663.3268 931872.288 989559.6582 3889169.37 1335159.734 1737792.55 370659.7172 1157741.862 455791.2006 347850.3021 34310.29242 22581.7284 24142.995
(3R)-beta-Leucine 50301316.04 58369297.45 98143216.13 88464570.8 75453754.11 21824125.89 86934792.8 47094460.33 26037972.84 82325028.69 88974973.14 75439773.96 82367451.33 95369882.49 33384577.47 73586503.36 42447531.91 61870190.83 116296416.7 21915841.46 90754668.65 176132050.6 142434430.3 94160973.06 100942192.5 52473716.94 82245778.05 119088211.7 61082576.83 117217356.5 20401172.15 45944407.5 45003422.14 52471370.53 92952180.03 48752213.54 60672751.36 337003435.5 101953290.7 54404991.65 73015799 134195992 225591592.7 206965011.8 147179911.4 116951774 228082647.2 198026929.8 119838486 107672893.4 70974394.79 163762349.4 192682952.7 86796187.74 88543599.9 68036505.62 66649838.58 27419556.8 70936504.89 36543768.7 67437213.28 104358868.1 129111424.2 105294896 67109717.48 72033470.66 176299638.2 31630397.74 20005575.22 50966477.75 86932340.28 60123589.97 112799134.5 24236646.39 58040024.55 108324026.5 68506518.38 58458860.37 90438993.63 6887742.651 18499922.01 7903376.498
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien-3-imine 1156503.498 3495081.549 1683321.248 2587197.707 2602093.665 4171497.437 896185.3682 1202294.72 1283256.308 1558829.182 2099854.429 767495.3358 619805.469 493668.855 1158802.644 629698.6004 474402.8401 1305392.192 1491060.38 932880.8003 1887868.623 3101299.707 441371.7419 1565090.556 677158.3045 893764.3115 561088.8604 639394.8601 733691.0502 728407.6471 1491167.383 1397113.484 3395573.561 1529197.148 4518499.131 1088281.044 916714.2097 1062937.323 2944352.639 567562.3798 498630.46 288125.097 809961.6708 286937.3182 584179.0693 299429.7218 380620.3011 468633.1451 514122.2204 566236.7371 358011.9181 989412.1144 1282123.052 2063218.639 1718898.677 1061690.421 1374727.514 2541426.709 1602169.254 3018914.695 2375936.22 3580303.414 1574062.979 958202.6167 3617518.222 839646.8764 1859904.915 2820827.056 2114100.663 2900684.334 1953747.829 3001794.563 3762522.093 1739325.851 669945.9147 2850867.094 1957923.311 1665695.587 1342070.027 292759.8599 109756.8448 119630.5775
(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxime 274284239.5 197685348 319918986.7 325868215.2 407715005.1 406828361.4 288202701.6 277818179.1 218309797.1 433335665.7 224519512.4 665456687.7 508736615.9 399705236.4 281595698.3 464415158.6 377720946 356509815 293438079.8 214114313.8 318140345.2 310713404.9 463344682.1 423949071.3 270676688 327689027 377791363.1 297594093.3 245099236.3 352370383.6 637224319.5 585157138.6 356905758.6 412026148.3 173075059.5 265585337.2 308175795.3 184686795 398207466.9 271763403.2 304578788.3 289687878.6 318291700.2 360625100.3 285655748.7 275238700.8 359811557.7 433167838.1 282091074.9 378250055.6 352919663.7 200920358.7 332478143.9 151448625.3 437925117.1 322882068.5 273172356.4 246209039.5 243979475.9 412146378.1 443983208.5 226354100.9 319722717 365195894.4 267291900.1 346785095 216243949.6 375968294.1 401092025.2 226673577.2 283930380 476931033.2 199507882.4 411968581.5 214221188.9 307511498.4 338147527.7 405727780.5 334235963.5 21575134.77 3302752.749 957820.8386
(4-methylphenyl)[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazino]methanone 38012322.99 12060257.99 119097312.6 33004116.02 24958310.83 5648086.217 13657079.21 10436835.8 11758455.78 4552432.985 29325369.27 5320991.435 5490597.646 9034837.436 7872348.221 13573016.85 4405252.321 11433698.35 9948783.249 4154958.224 5160401.43 22783875.81 13833973.23 21897757.49 16823353.58 24592282.53 21799963.41 9072623.042 30541778.34 19562538.7 44990583.25 14678381.31 33858558.16 37606823.47 48576067.11 55383608.83 9665897.466 13947287.62 85661248.58 18196149.31 22564622.92 9637129.675 13805515.2 11741493.53 9417293.28 6718389.97 8261706.591 9331413.492 6507546.44 6729259.27 11866664.02 8392793.584 9080402.367 9759039.288 7570732.09 12124228.3 10954783.61 6649299.445 38497672.85 4792894.723 18716540.27 5632543.611 8126731.788 31861258.88 13098127.35 24551759.37 8366046.324 13837679.81 10973623.35 15563493.86 15834892.41 7098010.349 5213188.985 15920147.57 4037678.486 15535286.86 5184832.03 7483333.164 3341331.449 2550423.743 5992613.955 3495299.363
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate 136142.3024 348466.3173 72204.02051 79804.99378 27681.94064 199906.3048 657593.6627 179547.8366 180887.3663 1306208.33 235293.3133 268552.9547 142220.3186 222121.1618 267816.9131 287854.4043 232368.6949 1089134.924 162464.5671 24824.37744 268926.2515 158728.3624 89468.35259 78870.2512 307329.6492 109799.3643 135501.8266 111794.74 249991.7256 235687.83 147856.2239 271192.62 519641.4137 398636.1876 393882.2991 612063.7029 479315.8544 416264.1604 22428.29077 355308.8879 58034.7033 1151552.014 249199.595 240999.8339 628044.0922 279112.3103 482222.8471 155601.1231 1572243.555 198515.1187 109802.9389 272519.8157 223253.7225 21112.28402 83640.68082 79039.39576 169086.1758 92421.99872 186138.8967 175706.7137 547678.5002 394161.2691 98397.57286 24074.10141 853140.1376 198509.8847 1045189.447 107498.8835 716573.8916 454594.4583 312287.5109 185702.1053 948504.2161 199088.2725 98702.44515 114947.7451 52027.86785 239274.9622 200968.9665 1907.703024 22110.19172 2756.178252
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one 13625306.02 1876435.72 3004025.288 16090294.88 26284467.7 7096564.125 2359812.902 1993707.385 25463311.81 3308157.709 1964870.893 611253.6173 573056.5399 662394.6051 2868542.654 1203864.5 7483715.684 1174599.625 925824.2444 25697450.93 5407416.08 5764723.334 10051557.29 2632959.184 1292441.044 11949876.79 4414525.316 7095007.873 4333678.557 15023931.18 1897061.108 11611063 9383813.255 5633832.441 11761949.67 20590366.93 20055056.53 4975791.549 20396953.23 9826202.811 2766392.564 1888975.643 1768727.461 816461.3165 1763197.638 414627.6659 3639394.952 503844.7793 809070.7212 1396372.403 566480.7934 243806697.9 22005648.06 207180063.3 4426813.185 10493962.8 10929740.6 7320556.018 874553.4904 17556915.25 48543307.54 107842273.9 27070083.61 21048947.45 31181480.85 5159458.733 7379824.166 7477872.14 3809548.512 290806.8781 18502856.03 7823603.284 13639499.72 7972589.117 20669568.19 31307031.56 12548492.01 8645907.544 19232468.49 227813.6435 470532.9494 1154885.121
(5S)-5-hydroxy-1,7-diphenylheptan-3-one 355177007.9 110130491.2 360569205.2 181928360 217139682.8 323598150.1 125780038.4 221563085.6 176170564.2 91242656.92 122219199.2 94926209.81 135109885.8 55398345.4 120195380.1 59947997.14 76611422.21 44539937.67 119801937.6 212708878.4 79096112.74 225436106 213691049.8 173740985.4 105283314.3 123632830.6 150222123.6 194127303.1 124769119.5 283284201.3 344563286.1 295805848.2 169988744.7 98763288.13 222830400.9 159413303.7 176625389.1 191567188.1 281748335.7 145726509.4 118671085.9 78238003.7 97317977.28 75843993.2 59406751.87 70159869.3 79103829.62 67758839.6 56412590.82 57305231.08 123258783.6 635088271.6 737614004.7 474667871.3 223953006.6 211443103 210677121.1 319827640.9 117157579.9 206226977.8 756442343.1 464949374.1 1077734131 290854476.1 276022871.8 174167952.7 189609087.2 205036916.4 381680755.8 190720176.7 537324688.8 485692179 551578455.2 281393785 290685991.1 204941414.3 287641999.7 339436178.3 129199187.7 31928060.53 39149122.6 49918895.78
(7alpha,18S,20R)-12,20-Cycloormosanine 4270032.472 3654096.672 4151990.284 4689841.135 1835123.026 9730545.256 4180209.974 1901410.177 2066763.421 4782142.703 1143669.044 3354780.492 8316833.746 878290.451 1044955.575 1621195.778 718853.945 3875742.749 1857807.207 3603902.386 9109546.74 2597136.632 1618703.373 5292601.187 882164.7172 531561.9039 605752.4721 474518.1248 411405.9226 263577.5669 1444893.97 5236229.223 1822146.075 2259559.312 2051743.291 331760.4739 1721344.777 2710484.178 3505300.762 931385.0943 323985.2081 6028081.674 385420.2366 1523991.099 1561339.266 590625.3277 459599.9242 864982.3401 662679.3647 1493718.144 5386750.765 531164.9615 846677.7635 1426402.98 896969.0058 3409924.692 589424.7004 16585825.71 5266060.88 4037873.353 6413963.9 1222446.328 3745717.824 2270066.19 3999888.627 2478755.625 1424623.336 917103.294 5576376.579 1196790.959 996414.7082 3141027.133 5329137.429 3695020.712 473658.4245 1383163.218 963175.0866 285720.1786 937422.3501 28852.61239 9381.411901 13966.47012
(9alpha,11alpha,13E,15S)-5,6,9,11,15-Pentahydroxyprost-13-en-1-oic acid 1039123.855 1752085.256 294264.7975 593725.7048 1058681.925 1231501.152 1079156.923 654804.4724 925217.5142 208051.3882 497491.267 549600.1553 1668396.971 691730.3787 1263086.653 274003.0857 713915.3891 773242.1893 1229979.585 1437580.719 1472356.536 1289086.11 439000.2173 453447.12 1904927.32 684029.4568 277899.3587 239162.0704 747182.3723 818038.3309 570579.8478 652377.4811 1359390.152 660487.2876 453327.786 2418793.577 963548.6775 849745.2691 1406122.058 426045.3323 410799.6512 623674.3367 699240.892 759669.8395 643090.1939 784657.6324 414313.1016 678968.55 374561.7344 693966.0415 985080.2882 5701772.375 6593867.996 2583994.074 674827.2342 858436.0415 295147.9906 4158836.611 2220753.621 993224.9932 3637370.962 2966651.268 634111.8146 1480265.173 638805.8561 1258730.24 2551776.421 830267.5026 860158.2797 2674847.238 1100951.786 273635.6762 879323.057 698251.0199 95536.51612 1021431.487 364026.1848 453715.7962 1068518.518 22697.27514 138217.5988 68032.73198
(9cis,13'cis)-3,3'-Dihydroxy-7,8-didehydro-beta,beta-carotene-4,4'-dione 92324.56104 120241.9944 15079.88747 8990.064383 365081.0579 1688415.03 151050.9681 98863.91141 35218.44521 12484.61214 14693.87575 1616896.754 81155.97606 7404.523635 92072.56046 136141.1729 4514.596365 42136.17404 120915.0331 39875.47991 33658.49928 17538.54112 40457.66706 48983.55413 32556.04004 204302.4767 80467.14646 29085.83915 56721.91284 198526.4942 232344.2236 158964.3945 579705.902 240578.2341 84480.87139 44071.22271 204866.9005 41719.30228 127660.5803 152263.083 229642.6824 27906.33897 28243.79326 34842.75039 45297.32631 111439.9473 72958.95644 85954.39277 59229.15411 119512.8659 32808.21745 89625.5019 9616.014858 14846.02014 17052.79217 5533.130856 13448.76516 20535.60033 39084.72848 14595.78781 73511.06642 5447.627618 72633.15785 96555.45169 1947707.825 111468.2105 42876.02179 177910.7757 45124.97019 203417.9484 22665.96763 286109.3848 189904.6833 308907.2941 24351.19474 6230.925744 56326.7142 20852.5835 124763.3564 21997.16433 27710.09942 5971.540053
(cyclohexylmethyl)pyrazine 2282991.8 2910824.523 863288.6666 1476002.719 2938712.628 3712463.832 1411512.545 4410218.999 3633716.544 2755246.254 1687956.115 1483043.921 849713.9226 940627.4847 2127447.692 1489721.73 1709032.145 842488.6959 542126.518 2417281.347 1198550.482 1651646.808 1437890.539 1888309.823 1759298.328 2045475.586 2604506.579 2416066.847 2976807.896 4781554.329 3554220.869 1991073.434 3562567.464 1496441.408 3184436.538 1903887.94 3495813.706 1552619.29 5810961.271 6254955.734 1157047.731 1430987.95 1520704.986 2703991.887 1774642.673 1263038.812 1253155.999 1653189.853 858361.5604 3701076.384 855591.9232 1417266.56 2731212.924 2956272.996 1918447.561 2331917.359 1929379.532 3504123.839 1019793.002 3157153.939 1954737.252 2121319.002 3267320.891 2411494.477 3577478.321 1846114.287 3691335.955 2581540.298 5258686.08 2271858.931 3246172.546 1490392.937 5407829.885 4048276.024 2549283.614 3914110.586 3738121.2 1837785.387 3271489.544 367598.8238 311211.7308 178325.579
(R)-2_3-Dihydroxy-3-methylpentanoate 39824.65262 179294.7995 52731.64633 134437.041 40592.50084 170855.2302 531966.3404 779718.6416 240725.928 323309.7902 422575.3532 568460.4506 4721432.37 672490.0724 1538793.784 124540.5924 183753.4822 316625.2102 1223416.025 4735613.507 1335643.745 385654.0861 237289.3475 657484.6607 328280.0191 213825.5363 418758.3625 334683.8771 330603.5864 621831.0577 416188.6992 2754539.339 191113.9943 107664.3465 140597.0261 405055.6357 432367.4868 5220941.683 184410.2232 480590.7157 296234.0336 5120850.56 1177735.302 1250089.988 1191967.331 3612673.767 2146551.343 1733587.248 641742.3684 227536.435 4147072.114 3312122.989 477791.3941 793027.5505 367114.5031 239973.0905 527036.1119 1025712.541 1245502.212 3567980.005 587877.5035 650292.5616 4072382.854 110405.3409 592687.3721 77238.02182 2254530.353 68851.77555 174427.848 120352.8186 221268.9925 213033.2987 274665.3777 54695.9976 853133.5181 493181.4218 301598.7006 415218.6936 663821.5704 1038.290297 781101.4174 54804.39489
(R)-2-Methylimino-1-phenylpropan-1-ol 15078.93127 75277.98847 23989.52665 39246.01106 21902.73733 26306.18339 26720.97829 5908.329412 24413.8185 80306.35433 24166.13811 8194.408619 22223.23347 16501.19626 76715.46734 6285.610582 113718.1163 20112.86751 15380.00613 25706.09372 155789.2278 56826.26151 91864.85767 9294.591152 17158.09119 31772.38812 32810.3445 10333.93983 14515.82481 60625.96458 58650.31943 218200.8326 39416.28073 16765.58402 33482.35152 45861.58578 28444.80897 21905.90835 332799.1564 49291.16353 26639.63432 8357.232851 119396.506 52161.84574 235727.4576 31536.16259 50245.83302 15512.20923 120545.9 41793.77343 9613.447986 68795.02433 115463.7007 14751.90143 61455.86901 86396.80262 20276.54765 65914.54966 139846.0996 247468.343 132406.5305 171886.233 32133.38543 14392.81848 12710.60727 105896.7799 165244.7568 12671.32549 222773.2519 119522.0162 6227.295689 20600.96503 10358.37018 14803.25482 24857.16033 25235.38953 91382.31186 44594.26033 16566.8093 7939.547351 4844.493694 3105.717219
(R)-3-Hydroxybutanoate 1935.147498 2820.846719 1749.397406 5431.460036 3392.636358 9543.806967 130811.8463 28847.26576 39082.3774 44071.39214 15772.55236 67204.59503 90856.37177 153887.2324 64133.6187 42195.13612 98491.08934 37443.97362 35666.59706 3265.751899 73390.34188 9656.341176 40052.7324 10188.06975 22169.42183 18548.1487 89287.59319 3454.765155 23659.53927 2980.374468 4124.754067 1816.974467 1711.063883 15943.02233 16744.47818 13410.4746 15316.16062 199307.1774 3694.429017 108571.2296 16662.93416 23266.77856 153552.1539 213733.6447 57166.97483 64574.03131 85894.58678 158247.4116 362683.8713 72905.13702 75020.65675 25329.87736 253793.2155 9369.826686 139020.7794 267237.0023 33055.3839 16783.25107 32831.40689 40736.34016 6002.458917 127868.178 4488.99561 4725.686231 29636.56532 5794.640743 46800.45503 3483.706163 2933.440615 2094.195379 5576.866603 4482.89808 20277.86604 4423.610805 39314.17991 2765.547159 41966.06374 22854.89005 51818.69957 1086.2643 6435.232629 983.7351759
(R)-6-Hydroxynicotine 801365.9692 356889.6538 1115987.582 816733.2218 512570.9558 620528.3502 649286.6267 194622.6196 367745.7237 291256.8548 507420.0044 172881.0897 305175.8599 488540.1952 339913.0102 233032.4845 592551.9458 596266.6808 1009116.484 767703.0058 365595.4011 292550.153 458245.5185 439100.4198 193023.371 497933.4712 552869.3847 593207.9504 336822.0198 200517.5462 480135.964 1590359.584 592365.9292 245964.5111 144686.0861 582286.7928 346957.1581 519598.1965 1435382.837 1086090.768 532285.0524 297119.7135 204081.9924 233826.6683 287869.4001 144183.8367 125380.5621 267598.3338 450373.1729 237036.8852 177220.7627 168562.4815 261041.3417 781731.8878 194927.629 686353.8656 316246.4414 312915.6142 792094.2893 360932.3172 493081.6475 315469.0311 230907.5229 585727.2743 547583.9496 454169.8743 214314.6261 541952.2592 1436112.265 195282.2568 924151.343 1192812.102 372136.4763 1220343.74 930415.8993 166213.8801 339662.0937 1602715.859 192711.7027 137393.2538 38974.11036 36688.50222
(R)-Acetoin 8355906.5 6267483.023 7594915.045 6599615.329 6182317.369 14028583.86 8400588.331 6151476.535 6599387.435 5845854.042 9807107.112 5331483.354 8484343.075 6497067.441 7407056.804 6938644.171 6635540.483 9849854.802 8102944.566 6091621.087 4099415.779 8278356.246 5183576.302 8205719.497 5349981.209 9163906.416 9389728.259 6220267.835 6289742.605 7611009.255 7638802.57 7849721.242 8103333.402 9927823.182 7348974.101 10876960.66 7867039.23 5306002.669 11773556.83 7986668.178 8089023.84 5305652.277 4140435.595 3896394.21 4909759.24 4053808.287 6846875.721 4223832.258 4186869.863 5039453.909 7467926.33 19967154.81 31353176.33 18978001.53 4834480.725 6733783.007 5826566.781 14832885.97 5906697.508 13546197.72 29036774.85 22829892.42 15685285.45 8966801.444 12633142.68 12556477.6 6389776.786 12610734.16 12815245.53 5309466.675 8081591.16 12088280.34 3953964.512 11641689.89 9647757.382 5609719.488 5914771.962 7670833.943 9336968.03 1539574.856 734583.5546 589086.4737
(S)-Carnitine 1817668.631 2402671.193 1556764.932 4822273.344 1891676.456 2641736.691 2003623.08 350093.708 283054.9834 1790885.054 542164.5827 285208.1722 683525.2747 1341461.572 510225.9267 877277.6426 575678.8538 175209.3545 2622561.991 2841897.375 340682.3787 709958.1061 1514453.849 1177391.396 447768.4883 443878.4951 926382.2183 1471205.343 1681003.68 5197277.196 1059885.705 656284.2958 1785770.85 476153.5264 1088592.804 546816.5286 2031900.546 978749.994 2168705.76 496239.3456 196103.8451 1727793.699 3002101.506 3013275.63 3196772.624 1898731.627 2772200.959 2422661.126 2154788.699 2619214.944 645928.3687 871262.6642 218501.1524 2306780.311 1495812.094 684999.8936 375765.4292 254254.5107 139107.277 185661.3074 2318180.817 1279524.652 3194782.476 2330868.084 2698659.776 543387.6698 2244981.257 822867.324 2822982.866 1228853.236 738685.7353 493827.6857 610941.1024 1074238.944 1349841.818 542790.6032 321610.4905 679683.1673 1343531.777 165418.9508 59271.96077 49113.36446
(S)-Nicotine 2268311.365 7472777.112 160729.0852 1539643.676 1131522.161 12349965.32 2684096.261 2219317.799 2874700.452 1703556.977 8478363.205 1702179.419 1886083.179 2236828.345 3448983.462 5865379.879 3246105.081 3403996.569 3165287.623 4618050.256 2376469.862 1201232.796 1574322.246 2564599.381 2818989.952 2164275.673 1673786.602 1983583.371 1348354.583 9143677.804 1940716.386 7348367.621 3370227.072 2967198.655 2193744.184 7152960.514 3249495.345 2306360.826 2935747.647 2827173.825 2055834.868 2522576.621 5970396.636 3043930.676 2963909.662 6961719.894 6996388.587 3150658.309 2744343.888 14794101.85 3373888.938 2952127.117 1482532.24 14077204.55 2285076.398 2097442.141 2452478.813 1560890.498 1329352.376 2157649.661 5608975.009 2048097.534 2826499.232 2269430.398 2358761.472 2162266.598 5247998.217 582889.0697 6029979.855 15490365.53 15229581.56 268860.9872 5826868.772 5158454.717 2070222.218 628114.5757 3261275.104 2207984.992 2017947.707 39547.87039 487271.5721 625756.176
.alpha.-Naphthylthiourea 2851086.739 12385119.91 47703255.99 2834641.463 51268142.67 58613468.71 6826978.035 2107211.161 20341335.06 9768997.078 10902665.16 1683607.275 7798332.975 41064158.65 22568383.86 17310672.73 5072330.274 28589607.93 16681470.64 2262106.246 8134806.478 41493245.27 36270048.67 32352588.1 14935971.7 9841945.685 29679392.63 12066073.81 6375252.858 36155735.08 39758633.92 7905778.324 22993795.62 15553319.51 21556521.8 23247818.52 9896880.483 12970250.81 20193923.46 12491171.51 40091041.25 16751914.85 21248089.09 23997476.35 47232739.94 22765336.2 9082048.252 30655029.65 4693874.654 32161638.92 5945845.305 412711.7903 6909475.833 1699693.07 12461977.89 6282917.184 9698768.723 688302.4841 5128368.038 1810116.234 8503531.31 1632907.174 10772866.19 20235909.21 11506413.3 17341168.42 7556091.137 30087419.42 31238332.4 15839724.36 44677109.84 22533174.43 5935040.245 12715664.4 21489576.94 7185181.096 41915554.72 11733569.65 864507.5512 75452.81089 26731.46015 18517.09858
?-Coniceine 118155920.5 90737529.22 1686463420 433156149.7 165428237.1 34211396.87 9373498.421 23574547.42 10038563.57 29511407.49 83623538.79 89477622.89 17612705.57 23340799.77 11605206.99 17037472.16 10024203.64 51604963.86 5968126.07 14811155.37 5984249.801 25038835.16 64714174.36 116659716.8 76136422.24 211810481.3 93158968.78 51307564.93 58620911.37 85729439.77 113639090.2 44452289.5 257132170.8 7755443.517 6525169.551 28775623.69 17818161.94 36904500.56 65959789.6 21588185.94 54301004.85 11338969.2 7545080.451 11594233.96 10021392.29 13628420.7 28648203.54 26833053.24 20584164.63 10849588.46 13233326.62 20779609.02 16807052.68 27114391.03 3253381.4 15525403.09 20495832.84 28526671.12 3401568.628 4894386.068 21095302.23 43254997.7 39955899.78 176181685.4 153686646.3 93420544.52 17384742.74 24951965.49 14266002.84 177549728.3 22313813.42 27214498.76 98543543.88 66591140.7 95409497.6 46004329.67 30641515.32 68075052.72 25433893.32 4233081.611 12627059.4 14383606.12
[FA(16:2)]N-hexadecyl-ethanolamine 14994152.45 8228992.405 13407877.04 7077755.116 3632741.322 7399843.109 9694228.307 6920015.192 6152476.181 7977290.244 5502562.894 2372761.407 12791122.85 3638976.75 10190349.67 2299736.472 5884753.102 1839888.317 7156783.376 2838830.055 2562014.708 13081714.11 16926933.24 15299098.09 7425950.657 11615821.48 4993566.555 26039488.44 23383817.51 5505589.717 12214884.71 6911916.763 3338197.997 16756298.68 9193780.758 14814880.53 7632133.31 4496393.976 3059169.961 5922880.666 3889493.366 8647000.811 8994540.388 13668385.9 3715930.3 4199125.517 5869699.683 7088824.291 6974616.994 6852301.695 5168667.847 12957659.64 4030140.545 9094310.587 12330537.24 7739704.391 6006638.214 5189911.507 15539266.85 6891154.032 6663026.509 4789966.011 2363058.025 4626287.191 2725803.411 11057263.72 7669500.932 7407333.394 18164370.79 1981206.452 16927147.39 12756522.14 7921221.81 10819946.18 5421857.129 12964113.24 10317150.67 8604574.933 8957734.102 267024.0594 622733.9548 555292.045
[FA]O-Palmitoyl-R-carnitine 296282.7639 578897.9437 55385.51566 239231.7765 78473.33602 631349.9354 4666525.813 943858.7548 3029455.429 2501960.876 883656.6021 534051.2681 590471.9713 177801.3149 558795.7096 179047.5625 1226213.171 567086.1497 4316568.735 379140.138 1759397.899 273541.2408 609069.4907 548333.9984 247212.5239 239304.6339 216884.7091 1051044.966 325222.6359 215793.8669 76593.52765 277686.8761 115662.7538 150080.3494 316472.0624 377418.4493 153369.2922 375089.189 159153.8883 711559.3685 332090.8395 719722.2483 406059.2883 852792.7586 406705.385 716525.3056 525326.985 286536.2882 238083.3128 637240.4297 96781.67556 1800887.872 756301.4582 222497.6886 785646.0318 1774553.109 1249699.788 263499.4258 228550.6346 874014.4865 628174.277 1482877.495 85457.71715 276272.9018 114014.4358 648013.3908 719175.5128 196994.9541 841607.2361 148069.9048 227297.0932 638958.6219 551407.6909 339861.8993 783394.8228 62030.64361 201614.3336 991792.7927 1560433.257 1994.328349 28038.18946 5243.385312
[FAamino(5:0)]2S-amino-pentanoicacid 270744621 197224409.6 339796579.1 304607019.3 172270629.1 169154368.7 303051678.1 170159703.7 268843881.7 122038656 184392608.4 133472632.8 286892241.7 199173678 147175062.1 231646118.5 137244712.7 188005118.5 279536260.3 303569530.9 137355230.6 229982678.1 207444556.7 213580287.5 201296042.1 330293488 190691103.7 186715134.9 151919659 245061307 283279727.4 217030531.3 227297603.2 156515287.7 130954448.9 185030122.1 115045866.2 186145398.6 167243805.6 129069914.3 230315436.3 172510798.6 248659122.5 200698542 287796757.1 385860146.3 180219051.2 212270449.8 196649572.2 330133304.8 193413795.1 132597378.5 138192077.8 152165937.1 135255182.9 156084084.7 215827009.2 224690736.6 185647887 205689313.5 141082543.6 142458319.5 210450050.3 356852422.6 203546363.3 171435519.4 147693834.2 238875025.2 191207735.9 196266015.5 283472156.5 176530143.3 200905596.5 187787686.7 193589960.7 156914867.7 204960223.3 190770663.3 163427966.1 74821302.57 54078451.31 48575892.6
[FAhydroxy(4:0)]N-(3S-hydroxy-butanoyl)-homoserinelactone 26605.05034 504044.5251 165905.1834 200766.0121 237681.8327 354436.1326 14969.62862 95388.44559 257776.4922 28536.98919 217699.4099 8410.519118 86478.27853 448477.7385 77887.88321 298933.1997 193240.9389 360854.4477 479361.7261 942089.8728 78878.4803 383597.5494 9166.519432 118047.2968 39804.39002 50161.52647 239197.0567 54717.67322 95848.7394 66539.52632 150981.7643 88241.70551 478606.5501 329738.4329 79200.21164 238950.4564 184525.6149 139210.6462 448006.9973 19673.33599 284693.0575 187601.8073 66641.14255 55372.34595 62499.26719 265433.8978 51032.66288 77189.13984 42965.62019 10247.93852 48773.47215 47573.81493 93033.66322 348408.517 179025.0388 12254.36498 40725.07275 91615.39367 171667.5737 93026.70338 342228.5821 136328.2718 2419500.628 532769.1428 104000.6127 9843.326543 30589.82878 477573.4555 109879.3611 8987.807025 90279.02608 61686.49054 44962.38557 302688.4762 118517.1327 144365.898 22277.33536 346292.779 592563.5279 142273.3427 11924.29261 5855.049025
[FAoxo(6:0)]N-(3-oxo-hexanoyl)-homoserinelactone 27309.84866 206263.8724 23351.71595 5394.446009 16080.28813 13063.96884 316099.7545 31135.25583 29968.37142 52567.28485 30424.95017 335446.7693 33743.44262 108083.1008 108946.7309 53710.54577 51000.56186 164174.838 41739.56999 93015.13219 307596.3004 30721.69426 44215.51023 32934.5458 167068.3055 35807.45139 21977.1823 33683.08983 48905.5658 17602.04992 127842.9592 47445.64309 19194.48971 115466.6878 67648.28279 145544.3906 115062.1325 148160.5472 165722.7565 42927.00547 18756.28969 509418.4202 109930.3454 33685.54384 33272.29242 119798.3462 155371.7312 237527.3013 329932.2247 70757.76924 190292.2595 55214.03503 120813.9187 74277.67459 208902.3249 58292.29756 45454.46572 88759.59929 65856.02769 137483.7297 49961.4219 39665.11417 414087.991 42369.37424 54710.5951 31174.44712 62286.17326 4774.249927 83470.80405 40571.99859 79659.80444 5553.178903 126775.7382 19369.27307 77961.71566 47702.44369 126275.3382 44192.26584 42502.98753 883.371396 40698.64131 23556.14225
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid 21450.92972 9084.475116 2134.876475 2432.647596 9212.469101 102022.8132 20858.6484 102806.5423 102822.4247 31533.49222 11412.75647 117888.2004 49536.31362 10118.72035 25471.70795 3401.792991 5936.860011 19650.74017 14025.37469 8583.812878 11115.38321 10915.82939 3270.016145 29889.63707 4447.316892 12109.33446 4861.249105 35369.23275 7835.942053 25067.10586 223900.8633 23814.17402 28633.54608 3276.950844 19750.71098 16941.19998 9333.486954 21184.01987 121198.1275 20880.47723 21816.2385 10291.79189 17753.13142 10808.16314 7993.68517 3510.154175 4494.179094 17279.76929 24172.15673 5794.696099 57072.8467 4770.003296 90474.34101 109154.5488 51827.03418 12867.70027 9450.970913 57383.27851 23067.89349 20286.13231 13128.8961 2727.647824 305121.956 65786.49392 15893.17841 13099.33944 2890.35891 121834.1781 360947.7874 100567.3103 56325.68094 2432.728349 8054.102585 18787.5888 7190.568643 4359.780279 15456.4897 4111.172014 15654.81213 7477.887966 3124.892684 3654.600197
1-(1Z-hexadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine 2020423.633 1186704.928 1230327.196 5644349.278 1108258.876 1986600.161 12778685.75 11921707.02 8188363.499 3331195.864 12550964.2 2001926.361 13278710.96 8925021.38 16526830.04 8747657.243 6645718.615 9824305.506 14244428.24 1160637.757 20862104.71 3937432.422 1405221.37 2013483.694 589252.6955 720624.938 544192.1009 3517226.942 2814632.692 182514.0293 479987.717 406763.2966 1719238.428 1125494.969 1365280.843 6166547.69 473621.3689 1890316.472 845494.5606 1159207.365 558935.857 1208504.606 5129116.51 8921161.578 4873961.469 3059855.824 3384379.233 12429116.43 3027102.023 10744810.95 399372.0075 12428178.72 5478530.058 373637.6721 4995553.14 8180822.894 1906496.557 1786068.765 1678704.38 1620415.137 461176.6971 1336731.881 235025.766 335601.171 330007.1131 1784784.302 1361794.249 1224514.322 887581.9801 350189.2205 2276819.389 1490895.233 340501.304 1605194.697 5735933.902 520250.0078 1036969.206 309200.5358 21347309.28 71416.0677 17054.62864 21910.46074
1-(1Z-hexadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine 9198572.789 154579575.4 13190308.41 9344741.002 21416146.98 38020708.5 511635484.6 391136744.3 277323689.2 495219942.7 162352934.4 99265865.29 338289024.6 329677587 405223803 190757137.9 428268284 196387240.6 478637475.2 30312951.2 705279695.6 196156496.1 232606943.8 145637838 80227762.78 51053493.38 61509336.99 369158506.3 209659124.3 38124316.76 7935252.842 26998003.71 6687052.843 76999251.55 175595877.2 178136642.4 198343927.3 35669753.53 20796062.43 45343436.02 193881000.8 276467368.5 242492447.7 86031105.15 223715372.4 197532463.2 87414776.82 249862379.1 211280985.5 200456172.5 67278708.97 575941063.9 327680392.5 11493413.69 304622403.9 288794142 602535770.4 52618682.34 65251467.44 116689256 197229401.8 431806843.7 54912391.96 61167596.52 37563235.69 208120873 309181254.4 5708234.911 23387787.5 8894461.978 16674475.02 24351870.85 172734523.2 16057709.06 36677148.96 9957447.085 61464280.27 245859195.9 66343287.48 3149.402091 157485.628 11924.57281
1-(1Z-hexadecenyl)-2-oleoyl-sn-glycero-3-phosphoethanolamine 1028835.061 10208960.43 590319.1101 2101556.055 5146602.867 2741506.494 17472072.72 15894443.89 15717242.67 4658810.387 12206053.86 4163491.605 14602937.8 7601318.618 18324526.82 6424715.069 15634118.86 10910567.53 12950292.12 956606.8067 26877289.96 13895670.37 14867094.76 13513703.33 9363814.967 3630568.276 7401338.346 17941930.09 15593246.24 1286662.878 358139.6951 2546695.58 1873222.536 6583463.389 1758695.879 2200557.026 9479438.768 2249318.064 4993806.979 10107930.24 5954505.274 8446250.008 13212455.54 11416998.66 13042480.7 5239164.568 5911562.858 4373531.469 1143337.085 6697824.222 293500.9315 16372130.56 4026730.328 2751124.725 8763668.551 3332014.107 7104265.77 981025.2035 9358885.579 5707273.146 6010866.813 13238873.92 849339.7155 1131431.92 430008.1467 8338942.331 8142001.22 458347.6182 1419872.32 3858562.834 1003801.753 815775.278 1870473.638 2503857.789 3036292.598 1569432.733 1116096.1 8294861.983 12463189.65 45270.74013 107981.7208 29518.75576
1-(4-Hydroxyphenyl)-2-aminoethanol 188672.9947 343186.7846 327681.2488 105846.6065 169589.578 83558.41972 192071.4704 79595.99646 220121.1498 88413.46693 133645.8777 261116.4459 125230.7378 124815.6587 115942.6471 162711.798 96086.13411 64791.82453 84249.27883 194560.9198 69077.78426 124815.6789 204377.2989 93403.99364 191657.1563 360029.3014 143331.9588 359894.9827 62625.3441 348179.0586 848620.0355 134030.4059 293399.0827 44503.73557 202727.1736 64033.66871 125911.268 235850.6988 358832.2905 112963.5168 34683.27832 344266.5265 325219.5682 192820.6654 148659.0126 38316.70331 165741.6582 42359.93187 103591.6755 39184.47081 101950.2468 59288.33356 113827.756 89740.79658 161233.1336 161799.464 428195.8437 268719.4324 405091.7057 42513.65083 41006.33478 110327.8873 64971.49232 150984.2273 87237.68193 133324.0008 328180.5921 146061.6011 120575.4317 221742.5406 19141.899 56877.76339 134542.5042 42610.73624 99151.22287 654089.572 105831.626 55920.7175 80797.09891 1158.896552 19354.33073 45340.2777
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 1579079.75 1430786.226 455499.6019 84764.36828 325583.3439 2250021.146 6675815.281 6240512.914 5626457.972 7291745.817 7495943.394 5116102.571 7831334.766 8598579.514 8137609.843 2340926.468 7338264.801 5896425.196 1248776.566 3906462.517 7901633.765 23336550.41 34432531.33 31344500.65 12341221.53 5401880.88 5001175.148 26640045.92 29326444.27 1360299.885 1700151.036 382395.2668 1659843.261 19909082.94 15467956.18 25436727.32 24354050.49 46230133.29 11258351 14224725.95 6329286.601 12851605.06 2656624.048 37210755.65 41903085.43 19242420.28 23760022.98 22249541.71 9109389.265 9542862.578 2469936.431 11314030.68 5081749.638 17847353.28 5310431.596 5362564.68 4778047.261 2717462.933 612842.0622 1873207.154 9312037.708 12972002.31 15280877.37 569479.9112 22909883.69 10222339.59 20723417.97 456163.2545 551502.0522 1007007.431 1846458.219 760709.5044 18076768.39 358759.5925 7324350.208 4733540.538 959522.6722 2907729.172 2731322.53 6218.736378 103287.1921 14942.49681
1,1'-(3,5-Pyridinediyl)di(1-decanone) 4306139.913 4936314.7 20877537.45 30257057.39 7465639.994 18717586.21 746854.383 1077726.449 2464914.106 1749398.022 1112506.809 1309217.1 5188718.736 2889542.042 1908680.578 453607.7639 3197033.516 1686382.206 1095666.963 11596146.94 1110465.94 3851716.144 6138804.515 4601599.666 2124766.901 1926064.291 1352020.279 3115474.037 3226960.543 15418785.56 3171046.912 3567605.036 2988611.975 3430922.71 3506035.576 7642282.853 7779752.308 2264173.051 15762068.26 4273815.918 1447978.319 1307988.349 1142151.95 1734241.581 699698.084 750321.8508 1512552.623 643765.0675 668134.0163 573900.1994 455014.0338 1878506.303 2309880.686 3386305.927 1584543.545 1253005.418 1389744.005 4827396.878 436983.5901 1471413.292 2457088.655 2085193.409 2961446.008 5921249.171 2698796.967 5341838.933 2614711.528 4375833.118 4201163.593 1645994.93 3636277.468 7740558.895 2436719.682 5552341.446 3783113.598 4487101.375 4907388.674 5268075.611 587054.3561 227087.2298 194102.987 73982.52114
1,1-Diethoxy-3-(methylthio)propane 37889.20422 194943.0118 71369.47389 23433.8988 103861.5605 16082.99174 360345.3938 210298.6239 195891.5283 628355.4965 976335.832 96419.94348 133215.9235 99228.22704 349489.8862 91684.38089 1008349.832 170689.8116 273897.1638 102150.9988 845917.1522 232234.8519 209415.6019 106022.8921 174814.8046 296870.1362 143657.616 109874.984 132435.2606 221410.6347 269410.62 61151.53242 99554.58442 87234.86122 135137.1984 356825.9356 1134672.05 457457.3798 115798.2932 855807.4968 478992.4245 630882.2422 417456.4573 359785.8377 246333.5069 137516.4137 214356.067 509209.5435 552609.1255 525811.8547 494402.384 593296.4192 88155.61279 297973.721 113402.051 817160.4354 531106.1879 794528.6258 197145.1273 726178.8205 229491.2953 301576.8144 353680.1377 47429.09927 405781.2966 174851.1782 225940.8488 27937.63593 51787.01599 139439.0693 172589.6581 363382.712 271428.8808 30894.9422 208091.0602 780051.1767 292571.3345 350507.2242 146011.8037 2337.982305 30716.19315 3911.26342
1,26-Hexacosanediyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate] 9960.337745 32047.88871 86413.51037 49143.28549 537118.6215 100875.9141 377942.2484 488271.984 136728.1503 177597.8752 219512.2941 37627.73646 229982.1857 240223.5289 33317.67111 255416.9735 314383.7008 486489.687 14687.54903 26314.57582 81377.04822 57922.93959 13354.79583 11088.60265 11283.41664 49199.22396 72794.09844 156142.1642 37975.71909 194982.1906 59326.49632 200373.441 12865.10735 533744.6176 18371.7322 128254.9815 517368.3166 34466.58913 110884.5989 25973.73541 166158.5428 304289.0618 96766.83438 78820.47431 294600.4222 93760.35658 182168.0777 24097.2647 26941.34473 30175.82457 21846.47305 91645.4078 107289.6241 11101.08688 504301.3301 10581.62843 248979.0262 442422.2056 311085.9512 77409.90931 175644.6584 91805.16219 129872.0246 102168.7201 74428.14415 129524.0023 91405.64575 202789.8559 94897.45371 728448.844 214235.5624 780757.7928 185134.0698 21784.08238 1059338.489 15258.80548 94717.22368 134640.7767 23344.55925 11531.07848 6195.071685 3238.048308
1,2-Dihydropyrimidine 4464893720 4396950118 4006497675 5026237417 4938798229 4607078411 24605482436 18545829408 22583433861 16179218708 17947802274 45294225633 40464678804 44596023075 30420458863 60195036644 24209363766 41707679091 29235932556 4236318138 28013846998 10110250536 36584691068 13404643488 25787588224 11450740179 37790217789 14990833073 37031168779 17998949817 3180924682 3478520325 4729737280 14388132860 8788570641 12800216083 10763811200 22211691176 5156579450 21385913492 47864726488 23949385795 24988267697 23143085015 23340674759 21028891775 21611372671 23841851766 23542169605 24234086045 25933756108 19633063086 28603674231 12114372821 26018293093 60525733755 26143301642 14589558783 23806966558 19815554504 10501539854 17882113333 14133415453 2671116404 12668954191 10303218060 14609219398 4090442285 4447167311 4160089946 5203690929 5044474421 13996053330 4401606832 14411756395 6324710341 33777882610 14498044343 22484022982 9966891899 1845326394 263974001.8
1,4-Dimethylimidazole 97415821.38 226595085.6 66532346.19 82950613.34 80688368.79 170889246.4 374904912.3 379825925.9 264300305.1 413615552.7 283644275.3 279491933.3 429853705.4 242723958.8 540336024.8 275524116 320905795.7 194219034.7 297379301.2 221373613.8 253598759 260087183.9 358042282 173233116.5 245291929.5 503396839.6 159952706.4 385586681 163018261.1 230768584.4 144752960.1 127642504.7 93124755.35 627069163.9 351300071.2 264382138.8 273323377 230115366.7 153040946.7 276037560.4 212103549.4 492183202.3 357314526.7 372008094.1 453876378.7 508665406.1 785508877.8 736348189.4 276012236.4 423267863.5 348461850.6 255212146.7 223230251.5 384852560.7 376640859.3 256985831.2 292382437.6 604736740.1 540082966.4 667952258.2 294734507.1 400022609 480365748.9 151790908.9 279345047.6 168243230.9 398717080.9 105978206.5 166832140 153207038 138731137.4 89495157.32 384171532.4 78369896.08 410437396.9 207680733.5 422560161.6 302482665.2 549385160 23695665.36 62731359.41 24174781.9
1,5-Dimethylbicyclo(3.2.1)octan-8-one oxime 1248160.605 77902.45671 7750.839049 577918.4124 43843.59869 436593.2388 28966.03189 116690.2641 27560.11498 100624.874 411923.0171 357895.2269 43599.76569 8843.393597 121482.5596 54097.17203 35089.06105 28428.35676 11787.61078 297467.0505 5854.666056 10956.29218 39240.16785 119509.0464 41760.5905 295575.4112 43958.58294 41033.80931 61867.1855 102629.2565 328564.745 24739.07138 124859.9266 51647.08428 143149.7539 18840.16799 15930.76607 193042.9981 535847.6495 58934.65444 45709.50842 14917.95709 6835.549583 16668.14137 20808.30551 49203.92869 51343.1996 39672.42713 114318.5038 33653.7759 57369.26167 68025.87789 180759.477 21106.48579 4048.932925 9396.16009 210567.4423 473314.0079 88215.21597 6267.285042 7434.660145 280225.9098 34163.19042 164034.9847 290153.5113 58358.14917 51321.75822 21320.69799 42320.5657 21170.16549 105232.614 119770.1606 50806.19672 76821.04531 79991.16344 24896.75246 22660.47242 58965.99038 281903.8784 33852.16328 13956.46184 4533.98229
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholine 2559008.715 55214292.61 1862736.259 1196914.09 3653284.438 11409977.97 75319086.53 79208792.75 22333437.49 96388081.53 24695440.74 397092696.2 14165725.95 105896633.3 67802985.32 77257887.38 52392162.47 58375143.77 92076727.32 30465211.95 22591633.53 34731804.87 36319553.81 18702084.01 66317235.74 12352544.26 24232439.1 88210461.69 37290653.34 5808193.631 5030427.361 2941762.164 3812286.847 27995844.06 25029045.97 25452051.67 21874855.89 166515009 7265199.651 48796125.98 28672321.04 51585701.76 41442387.3 31265309.46 42726714.79 37877802.63 43910374.85 43082502.08 9841801.052 37688205.98 8493348.493 91667965.27 193255489.4 161558665.5 53684279.48 93269992.98 259160077.3 27250746.77 17712967.01 40724560.7 88582986.51 120191687.9 135841714.6 9774861.671 80575222.28 10485434.56 38394755.19 1341396.458 3010956.429 3475895.479 6200177.124 9664592.26 84305552.73 2146422.298 74675501.69 5670458.356 67072639.57 106666250.7 204128455.5 3174.3533 99452.95945 8114.210211
1-[1-(1-Benzothiophen-2-yl)ethyl]urea 3623121.024 2685637.945 4450507.263 5231478.053 15132050.37 5692680.577 5470887.313 22919156.7 6480233.279 10410758.15 3383769.404 15821289.12 6922149.991 20777480.62 5189444.837 27366673.1 6137205.15 7565260.44 9757390.429 11026233.9 2056872.472 4120911.818 6382908.284 6237709.629 1266761.977 3374686.749 5653948.752 6688376.281 5683527.245 4665175.259 6678845.906 10847492.26 6853192.166 43539871.76 7555411.17 10602470.53 9698539.811 3790153.974 12059322.22 8110189.964 12676674.29 17043566.12 7914188.888 9978118.717 7017984.709 7591675.662 2474792.453 5806154.718 7671073.855 4587836.606 3556494.005 5825701.437 4747316.695 7625981.024 18382528.16 5308021.989 5230150.522 5284972.904 8152048.418 5997823.2 24759781.88 3778195.516 9163146.681 4932033.789 8313273.736 7335974.503 1336919.56 29319236.29 23312129.23 16193384.21 4906605.686 10859474.47 9008736.503 22277517.02 8339768.708 7238018.161 2653413.888 8843264.858 2000280.601 103562.3622 36937.14446 53230.58002
1_2-Diaminobenzene 1529166.041 2324754.929 970291.4618 2691843.383 6562216.313 4418980.958 2337365.113 1840827.334 1689116.369 2455061.052 1743363.166 2120477.562 1203427.665 993636.9709 4142328.003 1317693.538 1163658.344 1074502.592 2547439.425 3416912.326 1516787.608 6350149.088 1813203.716 1462451.68 1426567.196 2041869.119 2544230.643 3339788.06 2183466.459 1180310.345 5453456.094 3013545.529 2905940.182 2259333.477 1224568.622 1009253.133 5002586.872 603352.3546 2545392.057 1119243.498 1031280.087 2504900.611 1541047.395 1021714.58 1000865.286 1562353.445 2137171.592 3882876.615 2760268.329 1584071.255 1341562.714 814585.3785 964593.585 5583901.657 859792.7567 2113814.366 2085256.688 1152817.971 2505294.532 1592423.429 1444227.129 763054.9161 2197916.064 4341397.932 2078230.168 1017079.012 3601007.402 2633786.735 1916158.948 1338783.825 4636653.939 2475985.696 1515688.988 2933462.407 2451916.719 2092784.76 343490.8745 3286028.197 1514471.969 420534.6395 200670.1286 339932.7244
1_2-Dihydrovomilenine 83649.9879 990055.4014 166025.4328 1463858.43 3751325.915 1046196.675 264225.2922 209614.0226 26473.95214 22631.59075 41819.32561 298535.1403 53367.50072 37861.71586 101730.1106 30367.64601 774051.5287 929137.3641 33262.68517 155851.0156 25199.15497 19014.00893 53798.35509 761790.0872 202246.9762 123825.1921 84777.58529 86643.08164 490822.8518 626300.6105 612641.5204 111423.9392 227941.5492 881829.5742 183526.7148 2340367.102 1361767.392 324162.3779 128563.8442 861037.0209 393083.4699 455824.0946 68816.15439 246186.2454 90575.32757 71918.45291 103714.5511 103132.66 94494.83614 69689.62383 55634.75752 1425516.345 153394.9805 25664126.01 520712.5342 1539135.443 1453224.847 271180.0293 403925.8032 243638.6321 5863331.601 1014526.821 4805062.255 837407.9433 951953.8107 2888090.478 2518158.256 672740.2209 2665266.534 105414.1711 720073.7304 1699303.656 230015.8553 1289835.009 143759.5749 505103.6058 1161768.028 2062326.824 221944.0668 39831.5659 60169.57742 43101.33766
1_4-Lactone 1480326.131 1158772.6 1918146.037 359188.5726 318634.1992 1606906.301 91333.86258 527353.162 188055.9692 517832.9319 277813.2103 596070.0104 2074973.832 809914.0589 121300.3154 589163.1217 1691628.555 330883.028 261812.6574 220637.2273 953026.5795 298763.5476 288157.8168 80637.47564 1133564.968 137882.1794 204182.7238 467048.1145 199659.7087 2254995.321 1381140.919 5787452.01 1848287.095 314690.2024 1026563.752 336940.8622 515566.7436 186764.2121 1234571.472 1764229.093 906076.276 318865.4576 450152.5885 846259.2025 1009530.833 165859.8836 306895.9739 1524130.621 345296.1373 342298.0253 1040779.42 132346.035 106063.2024 262050.4596 3002702.481 1609159.191 352120.597 1430802.552 111793.8697 200699.5314 1340018.355 406148.8962 346064.7222 339026.3283 1535561.794 386528.1161 555197.7232 920268.0165 1016174.538 685728.178 182239.2734 2341697.827 205615.6137 1042208.864 172848.7575 350205.3076 562199.8176 1418667.673 124479.4542 527248.8174 50248.65183 68951.57784
1_8-Diazacyclotetradecane-2_9-dione 605045.7672 26292.52595 167322.4983 33914.01006 43790.03456 81469.00897 25961.55641 103229.1684 18413.88725 18849.21135 106319.8001 30723.96305 272342.4969 105816.3444 230054.0788 154905.1702 11982.42535 900083.7295 77825.09311 58813.99743 107662.0247 16622.71863 336787.6776 33847.843 22620.58567 7395.29226 215167.8943 114776.3206 31607.21371 567198.4316 526616.0818 146086.2692 8705.91571 51482.76304 354017.8993 342754.0277 574576.4546 46713.4804 731539.3028 450038.0189 190441.1208 248117.5682 47519.75021 203496.3603 143071.5972 75908.24873 16567.63846 47103.66357 228521.994 81758.75428 152486.574 49262.74225 26644.74232 18346.81257 37312.27848 390414.1134 48460.15697 107127.1155 16169.31834 13705.45612 386574.7377 18056.50081 509531.3415 78166.38348 119560.7592 145057.7713 64550.70353 108181.6146 57526.70432 233307.9714 351915.1175 297992.7099 48818.36545 203103.4934 19703.64726 17021.11677 208107.8192 170522.2248 22038.13444 56416.80767 8998.161774 8944.183771
1-{3-Hydroxy-3-[(2E,4E,6Z,8E,10E,12E,14Z,16E)-6,11,15-trimethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16-heptadecaoctaen-2-yl]-2-oxiranyl}ethanone 380910.1172 779444.2552 1011274.631 2082838.777 2554295.141 2246632.558 5770065.939 16952298.43 986964.3014 10437004.32 1752941.17 548519.1033 2512060.931 458366.1231 1704838.407 3619859.985 8634919.198 5073133.802 214171.4119 4923369.236 144077.1782 3505895.005 769813.0807 1750406.852 2216300.836 10148380.38 744636.1305 1124295.595 1240264.936 5061121.733 3700079.668 1503245.513 3054394.685 29561419.29 1365895.71 2877675.449 2901914.716 1560297.746 5921143.718 1982508.161 8163118.34 6082297.626 1500118.134 6983643.915 11511370.32 3580041.019 3143130.234 533887.8834 1500046.01 2730229.198 1267948.082 845757.7463 6592616.872 903635.0109 18603921.71 439921.7085 2974703.176 684148.3874 3782450.401 1954557.824 12198736.18 1936341.522 4060315.749 11317255.83 2510297.777 6370144.639 1268409.231 11730042.31 13071562.53 14193174.91 4896522.9 14029407.31 8078101.097 14745515.21 16041228.37 12342057.88 7025443.217 7997217.856 1822337.978 14588.8525 6152.739265 4800.971506
11-(Hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-3-picenyl 4-aminobenzoate 143349.927 22103.11387 262374.312 497519.1762 301094.8384 87573.46248 415949.3042 84062.653 17906.65558 96197.99915 109832.7083 55831.94642 95256.1345 10741.69758 69492.45538 18810.49064 41108.49225 17124.19327 25501.59915 43472.15567 32897.78267 116214.5495 14361.27732 23102.58818 56027.39501 144749.4001 29657.19879 402904.561 70360.31274 500569.2017 91574.43859 373857.088 7903.051509 9206.097818 67198.24488 46283.82725 47153.75755 24826.36167 144312.3749 50704.03457 43241.19735 24084.89783 56866.60451 19624.44933 47941.24991 107302.129 17688.95203 5857.404683 88083.19241 155787.8734 294121.9005 90757.93789 51634.59801 31325.78379 68794.72271 25357.7572 21185.86189 11753.27481 124109.3005 228257.2961 59280.8865 14499.60254 122466.9962 85997.17037 537464.6712 79783.20857 27338.10394 121124.0883 103894.5599 86936.72483 7745.285712 95800.50752 70627.83996 73323.98478 59016.19984 75098.10926 84762.14762 170715.7541 43490.53983 22964.63378 8378.072146 22092.49591
11-Aminoundecanoic acid 140810965.4 624368973 117882823.6 138265333.6 141535324.3 257566728 827592931.2 801197111.6 537731648.1 978791880.4 940451163.2 721568022.1 845486567.7 449420058 510221938.7 484379817.7 922775218.5 609684325.9 758268975.8 699773615 999238345.2 559948827 883011463.2 579882633.4 535749737.6 581572185.2 473037170 753434837.1 595640130.9 475955444.1 383204571.6 581892850.4 312428571.7 957050579.9 401234160.8 784367876.3 553136215.7 912603756.3 376948468 515546680.9 448355392.8 718087953.5 982042829.6 1219328433 1284170184 782304087.9 1019431054 1095540534 683147989.8 575890753.3 279840075.8 906809376.4 427991309.2 581499225.1 627143432.9 562046587.9 369178344.1 314304642.9 637127386.7 562925206.5 702713467.7 906462905.7 1265682794 229168764.2 619995759.9 234214512.9 852505883.7 126060986.9 129032234.1 310880011.6 323295717.7 349196969.2 1051780789 159357634.4 681740677.5 511395046.4 554645385.7 1035948222 1174633808 15437201.04 21486496.58 2363971.901
11-Nitro-1-undecene 715543.5451 57804.8986 187318.7455 207309.3886 307016.2801 502444.2352 374918.6928 359952.8075 369376.2308 575923.6307 143805.2615 258943.2719 517268.6309 418075.5039 350785.4632 167489.6068 504496.4396 318154.3622 275558.5462 404856.2854 172055.3581 73227.43341 369698.2778 105113.5068 199885.0889 310182.1779 156208.485 30739.3825 29739.6039 577745.9877 314854.8367 190107.2142 1050519.579 145218.4414 165998.0262 252341.0027 29311.15748 364477.9375 86352.62923 478442.6461 270344.7268 360913.4454 370771.1485 498471.8976 351467.931 2735755.07 244646.9143 367484.6808 298483.93 379583.0303 421483.4712 467184.687 238830.4283 89408.17591 275990.9985 154914.1019 434976.5009 557293.0825 300214.818 103254.2117 579112.1783 314716.2882 287104.526 339193.6618 175052.8331 185462.7138 310298.5453 18662.23248 344415.3211 125681.1746 448253.425 440839.9205 28084.99301 112049.8708 62413.49364 44291.45635 1035690.729 402644.4516 106214.0811 273817.3489 40772.37316 9038.631457
17-amino-5?-androstan-11-ol 85479.29974 475030.7304 131096.2135 118327.0703 30782.67611 35808.59083 31057.50971 422527.298 686577.9556 5937.149541 193733.0811 12297.9137 119660.9868 297028.7001 430652.2423 183087.1395 15809.02356 292363.0317 865675.815 906971.5602 51728.14178 2639209.368 103438.978 14506.13392 191779.953 250313.815 1235216.645 235594.5727 265007.6653 118778.7909 82099.79418 79687.69613 26871.03067 6375.5206 95921.0291 55270.97557 29006.81991 8149.721083 71946.98489 14537.84067 260509.8892 18783.02002 19888.27357 117311.9715 111623.6049 147726.6644 78656.30713 149398.6939 20911.86896 108709.1748 37128.65508 8678.211146 112977.1306 456828.0775 159940.0318 266161.8425 150012.4748 45592.17922 302397.6526 101807.4626 11588.87159 36004.06473 103139.2517 792880.78 249923.1571 61441.43833 139184.0807 1348878.84 11755.35583 196627.878 119263.7726 1577007.339 126474.5086 275134.686 1128041.784 202480.5086 87719.57755 8257.584882 304663.8048 185537.0717 12722.00097 58608.88984
17-OXO DEXAMETHASONE 308131.0952 1327118.476 275547.7757 487465.04 879976.4001 46766.94635 343607.7587 260182.4562 320277.7595 150263.1173 302444.7375 41805.24833 137124.325 185345.5773 247898.1554 100840.1054 144995.5939 47709.90642 364670.5151 152202.9127 192119.7882 639634.4944 175124.9105 369581.4837 420097.0672 90187.16263 320399.7263 244430.5929 545592.5335 154525.272 1026292.637 394860.017 112182.5557 318266.2886 457543.4301 228746.9971 1097440.434 265818.7216 99047.85183 224491.7212 67217.66232 132300.6087 425877.512 226483.6711 141190.9137 129040.1032 73168.57348 115029.1663 227881.0426 208210.2407 115484.0897 169489.7006 443569.4539 363744.243 184725.048 246767.4601 172850.8405 186437.4599 790563.3629 344316.0441 1548813.647 267986.7775 386278.659 989777.6816 177782.9373 117654.6725 149535.7267 724955.4725 445689.1401 546403.9101 429351.267 473422.7363 356386.7606 94413.07338 210823.1161 384793.4163 196061.1627 75161.50799 138238.8983 51104.43719 45246.67068 29670.39223
1-Aminocyclopropane-1-carboxylate 1760461.353 7722927.299 699568.3603 1027165.541 7483451.195 8454413.94 37377741.89 20554788.79 1915726.962 15934247.83 7959950.802 161715219.7 54396991.55 78216656.39 23509309.11 60130519.42 3047515.35 17216276.05 32782449.84 7255815.259 44621442.01 3991466.616 4257095.558 1525313.195 12001684.12 3021236.948 8753283.547 3208273.102 2947372.776 1968132.891 1923084.705 2682565.576 6162012.231 1840037.444 895309.671 1898747.61 2403101.528 44781124.76 13012498.98 3333141.901 12793717.7 18827870.56 27813562.98 26328137.41 66946651.96 22216182.19 23633736.51 26797600.73 26208599.58 24542692.8 24469783.28 15592694.59 34612424.7 5135840.805 71495131.97 30256189.18 3814301.119 2611617.183 16280209.23 39212538.67 2757046.161 36036405.69 7072259.623 1173780.855 9912733.055 2227093.773 12818180.65 1733769.439 549714.8262 1246435.463 1946270.705 2057090.205 16000010.79 2812684.163 11021660.4 3849260.942 4671361.868 8449040.232 16034263.52 235000.454 604899.4044 114603.6515
1-Ethyl-1H-pyrrole-2-carboxaldehyde 3136807.917 2445164.709 17242907.54 5011852.896 609363.9744 3100268.71 3128341.133 2262476.868 1403321.41 1160459.431 6427733.329 18846304.49 2695142.558 1410562.496 2622292.262 3542451.575 11263828.78 10175432.69 3493227.78 2635428.906 1046177.515 8921502.994 2951019.286 2213637.579 1885599.138 2327310.554 1846110.424 2533830.735 2431701.351 1928305.717 1823073.198 688848.1913 3681560.305 2917380.828 3044421.241 2304141.27 1282603.027 4316481.12 4950696.167 2534506.273 3896118.161 11813147.24 2660514.744 1702801.457 12515093.88 1302667.231 2884594.291 1715984.267 2529533.438 1497890.068 1590715.225 1436461.617 2184237.158 1105808.642 1864709.411 2295734.488 4580373.229 2913097.934 3865563.305 1542225.087 1937316.272 4755005.556 1054936.17 1624145.861 3962752.351 1168336.898 2019233.186 5780767.809 899715.8014 2383912.801 2935872.504 1430228.266 3113213.681 1112980.87 987486.5563 3321689.266 3419106.016 2359822.994 1113770.584 1373517.184 330986.5178 405903.5663
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 3348888.892 10844340.33 876922.0268 8454223.158 1512263.363 4028602.918 23455928.49 20646000.93 21081182.75 23557038.65 22803270.58 17139568.35 23504399.18 21570248.13 29285969.39 11410903.72 27344643.39 15889229.92 29219910.87 1514928.394 40534102.45 26587857.42 29457178.54 27062301.97 13983228 11584645.71 8287320.249 32362755.07 26366590.04 1609436.915 946936.8619 637483.8568 2899797.222 30351835.31 4147707.733 7638181.9 9029525.574 43436452.02 2647813.671 33679762.3 20730487.03 31054069.12 28633398.34 24527551.34 27666092.12 29772477.96 20321276.95 37232163.2 28565376.18 24521227.3 10909275.13 27625314.4 18932017.39 419384.8479 23797621.37 19524766.13 10649588.45 4375779.514 2600625.276 1543282.342 1732633.349 26970160.1 2365045.748 1114072.245 2978603.178 15536048.69 13587072.91 931548.1299 1192563.546 184870.0422 636180.074 772530.575 4235739.76 3704583.949 726378.5143 1486236.228 792185.2617 11062725.58 23556331.15 76105.29955 50876.24084 27405.43182
1-Linoleoylglycerophosphocholine 321784.8309 14525874.7 1142027.547 266734.6206 363147.9037 691325.9731 4356019.014 8769978.762 8498396.609 11212463.17 8547919.572 8170963.963 5393118.846 4268725.437 2280212.252 12636006.86 6696196.763 9371070.692 5807670.807 661626.5798 4991532.871 37944794.2 39763302.68 34622164.82 19146724.39 16309250.95 11376625.55 42208033.97 42942443.23 2079713.599 370974.5705 570358.9839 946551.7561 28641863.36 12048424.39 36455388.24 42839103.58 53784022.68 2741620.353 18748826.71 12614629.52 17497323.77 48655136.01 40634532.37 48512236.89 35805602.64 37009261.81 37542841.37 8375440.291 8858459.221 1612182.03 22730783.12 17146968.61 24499681.56 10442768.29 7896006.899 8063067.678 2352908.865 1149927.689 1270522.464 22120802.41 23581435.48 31959858.93 3517276.566 30265519.29 13887369.74 32656966.76 1150570.91 1455439.891 1565755.402 1156909.272 2896838.122 21335671.22 268876.1687 10811884.91 1071524.736 710717.7375 2809063.727 3863422.474 5992.808666 75890.55636 26242.85995
1-Methylguanine 16268286.21 53588217.63 23889633.4 20041209.76 7149609.477 71180628.4 133781282.5 15349890.79 96575110.88 22830096.76 27936960.33 3426774.737 53132691.42 33694914.1 71774902.81 115468132.2 77856753.02 83117765.77 100125485.6 45069444.89 84535006.47 187881253.2 148802038.2 302107621 1806083.779 1089233.924 1187703.201 90588315.68 79412568.35 22508635.84 1015524.817 2563192.061 1917255.324 52017357.38 33544753.06 27600575.12 5181745.607 11815874.04 15810450.73 49984320.67 22323171.47 31754523.89 53721108.19 58106019.55 64490344.65 142241526.9 248751462.7 115915021.6 63605033.67 67780867.78 36740434.03 81364330.44 52631527.91 53581735.82 28663535.35 34139281.11 18460252.3 2387214.549 9517253.021 5348505.579 56893703.71 130860157.4 22901976.72 31986585.06 30341353.62 67776237.71 38454647.87 7120776.642 15404250.79 18549785.99 15160242.9 4975174.2 35252074.49 55415451.11 51896603.06 31084348.33 3199256.317 3136809.012 17597982.55 47156.17129 80799.86064 49156.13757
1-Methylpyrrolinium 346466809.1 134612421.7 103943951.5 386688882.6 522086748.3 192117245.4 38892906.88 60485661.31 39006546.25 42633184.39 36632213.53 69732991.98 19194228.47 39885702.19 46269865.2 23406525.72 61923878.33 34545858.63 19710161.25 27314577.71 40718930.26 271441830.8 112100361.5 124358986.4 269999372.4 195247779.7 199057048.8 438008168.8 177361313.1 219352977.3 191877888.2 126771030.7 542292131.9 39871521.14 30022508.25 81591064.87 45881024.68 40178431.02 73074912.74 100786469.2 110487578.2 54211744.68 49995584.11 51440752.18 36765456.52 52609687.58 43285551.72 43884642.28 32467632.31 41274094.07 36903180.07 30005697.76 27066540.82 36143446.56 25173692.46 55387174.04 21857152.54 22584903.88 26822988.8 22931884.55 30002571.02 16574769.74 51896704.11 232549815.3 57656951.43 285090181.3 66504745.11 31786123.97 130488019.1 59082137.02 77781782.37 50657184.41 74760567.87 86245164.62 52045281.92 92939004.87 117789035.3 46137223.23 45056875.33 15220353.89 42806732.62 27550347.59
1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine 20263.52136 2420182.886 22281.60915 162337.4444 160969.5121 40565.89955 466754.916 270424.1308 103308.3549 90813.53995 199090.3303 57981.15641 161528.3561 419041.8741 242070.7881 180941.5047 820271.7502 381375.03 744569.5513 248016.4 399811.3005 95193.17103 199880.0021 357713.1561 137340.2813 207517.331 73633.25843 152792.2607 118354.9643 57913.82984 45181.79359 289169.7667 300230.4431 137864.8282 149265.4205 412845.3052 295411.4197 320564.2382 258541.9869 562060.9087 429446.3326 1260416.135 170824.4288 187316.0809 220314.4187 252888.8625 504430.4721 191696.328 200562.4846 863147.4053 131901.788 137581.6095 53739.04681 163198.8806 77131.70601 51732.59311 89677.33455 233127.475 99510.71679 71261.44999 828082.203 168744.8284 23256.8693 27231.95349 111486.8427 178785.1709 708458.1969 31896.48132 246341.0932 1000397.297 57911.88922 62445.24569 382782.5657 649167.2342 338472.0061 110786.6422 289366.681 406801.9551 101293.5148 2946.160529 11131.7014 7653.233789
1-Nitrosopiperidine 4594276.939 5304923.852 3232329.96 3516667.83 8136426.329 11584034.47 57935511.8 49052627.69 31030962.04 37638206.77 32392456.44 23045926.9 61079921.61 12909086.16 23222725.81 32232316.9 67972501.19 31684360.69 25757438.4 23588307.81 55940389.27 27628577.2 29086316.41 28827774.32 19078915.65 11206308.56 11545661.26 30616031.07 18896782.14 20741396.92 2972720.941 7951872.247 2993662.203 61254772.9 40966932.93 46730502.49 42912177.2 46495820.63 9274075.474 42773303.01 34255191.85 76958833.7 71000613.08 68100991.55 69622919.56 47089773.25 55896942.12 15924499.13 45595411.26 44391666.49 26320980.04 54605806.18 12655726.4 42298073.95 16623043.68 7820157.061 19328547.79 38672049.2 56056873.92 66697954.76 58276341.98 32840406.19 72163031.94 8453030.658 62396793.98 26135861.94 77969720.47 4181396.909 15871438.3 17030956.12 11349351.16 13414055.86 26884812.74 5261369.101 22804228.94 13504970.43 12907652.34 27013813.68 29469405.23 933806.3787 5939056.08 468274.9816
1-oleoyl-2-linoleyl-sn-glycero-3-phosphoethanolamine 801316.0134 7270416.967 721230.2071 1704535.503 1083074.824 1121519.73 11984383.85 4465214.167 5045080.912 2639134.209 10127886.14 1436250.284 14632325.3 5602281.038 17401450.26 9871334.16 14318802.47 10501238.78 13625874.77 745060.4882 4047007.044 8803410.686 8765401.686 9107647.981 2984297.42 2071899.424 5831170.17 15508851.32 2041349.493 655921.862 194006.7267 16733.00399 2384957.029 4621497.909 1506800.804 1318767.479 11276211.7 1679052.768 3889464.553 3996006.006 8827773.207 12286659.5 12736312.95 12042036.68 12805136.21 1404228.97 11467068.35 6871304.943 875619.7451 9518654.034 704808.2147 3009528.867 4113244.115 560545.2432 2030458.75 1600453.277 9895849.661 700333.0034 403731.9787 562507.08 2487623.118 2942846.004 330507.4533 647803.8551 334915.1161 2971843.155 2128263.333 326125.4891 740027.7365 5528538.102 1356357.346 635372.7808 1456832.621 1950148.685 191959.9078 1222364.623 869279.9371 1724970.719 11929475.36 49395.22133 41843.49418 22990.90747
1-Oleoylglycerophosphocholine 4038109.873 106901528.4 3101365.329 1650550.06 3148454.603 6212242.441 62900299.63 52725097.07 54217114.11 78104697.91 81869582.19 55485584.44 44820357.88 48257910.17 52905588.05 39102973.91 68745301.56 50380030.24 27944498.12 25046573.25 56381675.96 187474888.7 202000472 192209858.3 122759410.5 73146389.04 55898197.87 231363086 255859308 58353133.63 11429790 27009211.63 17854941.6 199196186 218316232 253668136.7 198744986 281329811.9 35081970.38 117817329.6 60171722.36 139604436.9 289434838.1 271928035.4 352693705.3 191838570.6 218731249 215047368.1 98467729.89 98871109.19 33731079.72 98603054.01 61229120.44 165907270.1 73027255.7 58797178.75 42601806.66 23768257.5 16583924.99 14619721.61 77687552.5 183298947.7 141358155.1 22863760.8 167581068.9 111658687.2 194948685.5 6150690.811 6853905.847 11317300.36 24897204.91 9855379.828 105614277.6 1635904.89 82133885.51 17739293.05 15954588.18 56411220.83 51522244.52 15028.54221 251095.8386 48356.62688
1-Palmitoylglycerophosphocholine 585803.2847 12960940.95 818033.9357 1357356.278 741794.7684 1901855.791 8040861.264 24293095.13 6597799.388 33580077.08 29590611.87 29889310.59 18830717.08 17619967.95 23345340.44 22232498.89 28924785.99 22585185.95 23112663.62 14289583 26632090.62 67928680.56 66121743.1 60561340.65 32145089.35 22322707.33 19927291.71 67167083.69 79158632.64 29026324.08 1943569.742 10198978.26 2031123.223 64025633.63 66663579.49 69189290.58 71849301.54 108563615.4 16503801.14 56946057.44 37790421.83 58042825.43 112613065.6 103409019.9 106861627 56644771.81 63205845.53 66023994.75 47313248.41 34707289.87 14277755.82 44672976.44 27612317.17 42108595.54 24105238.4 2720393.653 19346925.11 3122369.038 6624810.974 7463023.196 27905891.57 34077737.6 47638313.97 9157059.144 63350824.85 31103966.6 77188285.3 2029954.705 921828.1135 6276102.797 6093692.687 4429673.336 26923562.58 634370.5576 23670880.24 9520735.518 3479209.864 16770166.37 17675295.07 8405.031617 150284.0638 35989.42394
1-Phenylethylamine 112953549 79308903.28 146215736.3 108836683.4 199632368.5 156054602.9 82230826.53 51406990.53 33604298.83 80597321.89 52406222.72 73870708.25 37936335.15 40502599.94 50637391.96 107365039.7 67841474.96 27821440.61 28870786.14 42031685.2 31686163.64 145525847 90231441.6 64017482.69 49762431.91 119363312.5 59536908.75 133787760.2 120678285.3 86506750.11 109835429.6 71557160.86 175025478.3 110177276.2 62093378.81 63342512.48 75590697.84 58326337.78 113628972.4 83826591.44 49274438.03 67448998.38 51812389.98 46504220.12 82077794.68 42754792.81 63874402.54 86504372.03 340169318.5 43270778.14 61438090.96 29644050.67 50643780.28 52568089.61 37433997.88 35836649 39233167.99 61654409.82 68778536.63 46153461.67 52282344.18 38391008.03 46238506.5 114280920.8 44015482.23 67205212.46 55824751.53 105422835.3 147354438.7 86973803.19 69169176.17 56971229.75 53746012.16 54506601.77 46799067.59 131897662.5 106618724.2 30335581.23 53119850.54 20534786.93 29073403.05 33325926.46
1-Pyrroline 381027.6369 4632844.445 256189.2519 627236.3834 15837682.4 770688.9885 8659928.323 5689571.718 7023432.492 4978393.585 5336965.562 1228679.031 5674100.059 1566980.514 8587687.825 1498436.071 9290218.211 5900130.009 115806888.8 17003633.96 3699553.11 51687293.44 4728396.854 3673289.629 3046813.343 7261874.202 35295924.62 4011532.491 4406297.473 16821371.04 3522508.503 4686991.295 4511061.659 189741237.6 35844816.97 8684768.17 6409075.704 2098314.57 8510801.711 7370999.736 6661785.747 6993627.386 10422314 8713898.784 9868287.178 131938021.7 7110572.455 7985067.383 6271010.622 6489395.554 5566388.968 5579387.417 1063689.757 10712683.01 3869888.397 5230020.552 4065817.939 13112636.08 13163047.36 6320010.361 99196997.13 8925144.708 8061675.364 12475021.11 3466544.862 7234853.691 10387346.36 4642431.912 7824843.929 5151547.853 857636.5789 14288981.53 9377141.63 5323897.778 129610552.9 575246.6736 2408911.797 4048528.601 4884556.071 251934.6168 2356401.093 692606.2902
1-tetradecyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine 100737.3289 1071230.973 155372.0598 269106.1193 33724.44763 244239.8924 373425.6011 1148003.022 2504564.812 872295.5897 354267.1426 714392.6085 2093196.222 1468519.534 1110229.168 1085768.144 474443.7211 762105.8853 2819225.816 157856.788 1913866.477 556588.2615 1585876.606 452992.4602 103461.4868 127131.9408 103404.4453 3051470.212 1941557.346 51471.31592 104526.1288 117404.0733 28765.16474 359765.8045 231389.9762 683615.3717 922177.9839 211355.7911 126572.324 380290.0132 258642.8052 1363553.672 606968.5391 898436.5942 395362.405 338654.7499 1037048.387 361541.6643 399004.9715 339251.9643 78985.82383 4341627.786 3109795.847 158967.5227 2448344.064 2053921.108 1923934.023 648058.1623 345036.7703 437822.662 1050010.545 2698675.45 310748.5224 131790.1449 101584.5583 1228735.264 727559.3965 138469.4909 83904.45699 83457.60397 128884.2763 391609.4338 468347.3181 215751.0324 945109.427 228467.2416 265261.2335 1797651.164 2253103.863 2641.659284 33637.35143 10002.10756
2-(1-Methyl-2-piperidinyl)-1-phenylethanol 85865.57563 477177.3661 625903.1162 697408.7811 944628.6735 1012688.108 43914.41018 595534.8659 431325.4412 8878.65098 176118.9126 4222.902685 120201.7277 37176.14057 17984.16397 410795.8239 57704.30501 256402.1325 680818.6437 1230415.553 68994.82862 95343.09729 390098.0216 1015855.816 148295.0552 589137.0905 497206.4998 1292398.547 206394.8648 48083.91544 84012.70936 80047.80011 3765197.036 133955.6675 57194.82795 67912.46553 302187.4117 391897.1321 249363.7244 135661.1491 261687.1179 72352.98268 33047.47521 40881.75635 67803.46743 187030.1005 65783.35884 244585.3523 99187.98805 66397.9902 22847.61084 9263.209094 344208.8152 441495.4107 110811.6235 376384.359 278946.95 551566.4516 436687.0886 259973.6021 43788.43071 68070.87936 239359.9432 1012403.298 1227945.634 778779.5066 125663.2694 1800616.131 377164.0482 158617.3781 167037.5511 2783361.283 8652.326785 280954.3336 1302292.558 105618.428 33809.09363 36550.86489 185873.6235 4124.981601 3532.525618 2726.572947
2-(4-Methylthiazol-5-yl)ethyl decanoate 5949181.515 1371304.358 3329444.521 4170226.454 3714190.184 8210070.919 3263464.186 5365301.232 3375746.273 2293587.658 1860148.559 3323335.874 3618097.863 1812272.479 2354828.457 1910252.046 2862640.876 2672336.824 3744970.205 1035439.777 1596356.988 1437334.875 3577196.75 1922561.178 2862960.605 6078812.455 3144634.375 1691979.058 3647152.515 1786862.237 5838925.811 2853522.019 10473445.9 2286297.582 1084488.661 4638817.683 1280400.04 2604382.301 5213608.982 2611146.203 2173207.038 3279584.13 2916763.775 2741543.173 3329880.708 3296966.596 3632379.996 2309675.673 2498684.329 2721470.998 1703069.962 4806824.42 2944786.678 3783890.06 7567618.242 2114677.714 10626225.57 3744787.329 2991192.177 3918564.994 4290969.022 4776903.575 4318760.077 3949662.186 4855163.052 2443143.107 4431271.215 5468648.661 5352628.85 2918609.565 8121628.123 6745340.787 7986689.517 5024640.618 5518254.605 4699445.159 4992791.736 7752357.715 1128315.386 1350956.627 528253.1403 466617.2466
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol 1945345.66 1877916.597 2408647.011 1782719.493 1584089.696 1452945.342 30478900.97 25470856.59 26486591.3 26058412.58 22363918.49 24413432.02 40507541.14 29652216.86 27707612.59 11945313.6 28404743.7 28278421.65 21935600.56 15986386.6 27671956.68 11125156.76 17156230.34 11273544.63 15014250.44 9234792.56 14461611.96 12005223.14 10446567.2 9840174.08 4039244.479 2157464.755 1771045.155 10101863.43 11175846.68 14710917.86 20339030.51 69961370.64 5395493.684 19420091.49 17292182.64 32777297.86 26061537.98 22959586.8 26164920.57 17855916.11 25970630.24 25207271.15 33736240.06 23556310.56 21455904.5 30295432.28 24432624.34 55672351.49 33735001.04 40896307.73 20273305.52 19998781.43 25823604.93 20454922.38 17877271.92 27781028.63 24958703.62 2998949.07 25280785.65 9568730.414 29599266.33 3245624.71 3365489.218 2487381.867 3997267.678 5466220.033 19681354.65 4026901.947 20046723.08 11263153.2 8512866.652 19554828.67 24108817.82 1840715.597 2909742.044 228206.3828
2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide 573999.3639 8054810.397 1085200.214 893017.0687 1424691.396 427611.2199 12276160.53 7926027.029 2950212.892 8235924.298 6408641.61 6459074.594 11906685.33 762509.0732 9196067.992 6008918.765 5643347.379 8176628.333 10535426.75 6284562.07 4191466.842 2312080.718 14470571.71 10223438.42 9366012.011 6563384.873 7640033.411 6755510.837 3584759.85 8406965.576 1451923.703 5784966.449 302464.3402 6963375.965 679173.92 5319680.255 9466745.764 7762206.427 289234.8157 7527155.595 6762645.808 13268920.85 12772537.28 11122792.45 10767637.64 13202143.08 15493366.88 15432026.3 12070554.89 10673417.72 12177404.14 6201408.325 2546459.811 4989434.598 7434737.986 4235835.46 1167451.248 7501964.293 11849007.3 11347036.6 5592806.13 4276427.451 10140070.57 1957893.781 7076625.459 3348836.98 13196793.95 371399.7735 693087.2763 822786.7022 185772.0879 2962700.325 2975925.428 827498.6143 1306966.639 2613285.671 1542904.971 9404792.901 9734320.01 344953.291 2237787.704 648814.0877
2,2'-Iminodipropan-1-ol 1300739.79 18571430.93 3702234.475 5479930.899 3694988.785 897868.1271 39960895.22 13030844.25 25815647.27 9759833.257 28972744.31 10925348.86 33181122.34 34602599.27 32106037.68 30899251.27 16011588.32 13801411.78 26590339.95 21940954.81 26160224.34 36171006.13 51463130.85 20963183.31 10280901.87 20825297.02 20480216.12 34151100.87 8785194.453 16427782.83 7273145.65 23862171.56 9208983.285 10177236.39 21214901.18 52315185.3 35376778.53 48529875.86 7930564.063 13957311.62 37692894.35 47479725.66 84609520.13 33172531.58 52718447.81 58433062.56 30758015.26 26559150.42 21497027.9 33868215.84 90660468.47 27319612.85 24908271.08 17285049.77 19421952.71 14691156.11 26345454.62 44314970.99 17038960.18 37528695.97 26819759.22 12538712.92 43511449.38 7900523.948 19810750.37 18158057.25 65518485.41 2242751.947 1092716.943 9311893.646 6035478.237 14213467.69 37294710.41 2207002.314 13391163.85 51604991.44 21271888.67 16338678.82 34821397 158065.0579 3466022.603 1376903.01
2,3-Bis(octanoyloxy)propanimidic acid 91554.20524 629035.1768 445852.7918 362276.9462 1019843.027 1234827.627 148292.7905 599124.6761 375293.7401 313266.4077 434297.5459 5128.45922 680224.0888 260851.1626 223996.0669 1307699.23 369944.4149 360916.1732 776302.977 245685.099 219424.0488 513878.0264 175932.423 205632.5346 119889.4015 381358.064 433387.9099 107815.5671 364121.1167 86553.97733 701934.4552 80003.02402 286650.7628 923084.9176 1053296.392 3671502.301 3500348.506 1084630.135 974171.8973 685079.1611 736126.852 2877677.609 558300.3866 462626.5799 446098.6793 785466.3957 1184954.014 1088152.053 949484.0432 743658.8878 267139.5169 182501.0293 15806.29594 554116.6573 821501.4874 190724.8768 1159579.166 35387.13084 77893.73825 484124.0805 57610.07078 169202.539 112616.8195 589228.5918 1163337.479 219882.6763 559518.186 1502577.548 6527396.332 722736.1411 577912.1667 715321.1034 175121.0557 371399.1985 74588.73707 2245720.601 808794.5651 419517.7831 331952.5253 20086.43274 3360.134278 4863.618783
2,3-Diethyl-5-methylpyrazine 3848201.938 2937340.092 3447713.716 3184388.403 2628096.999 2323315.329 1882710.359 1150412.089 1914319.743 1591035.31 1366255.295 2004689.214 752236.6975 383562.0138 2078850.486 728040.5312 3402291.778 1454881.097 761662.3153 3591884.55 1716865.517 1789952.421 1284569.886 1160848.168 2514798.732 2570908.497 3314559.868 1983568.604 1201270.741 3665615.884 3061638.805 1887513.216 3428114.491 1424046.76 919625.5027 3117836.218 2639037.072 1301877.197 5174734.839 919324.5397 1606061.306 438817.0056 2422258.806 614605.9165 798517.9342 404166.2342 1041027.242 725947.5334 983634.7356 519072.7034 618120.8776 1430538.203 830037.6975 2984149.143 1198555.21 1940761.794 1681150.938 1420008.524 1455223.332 2488064.829 755792.5218 1349255.613 948006.2643 3519200.722 4081918.669 1792094.894 1302991.315 1662052.157 2531435.808 3880373.134 5537455.944 1560586.02 1364697.565 2439426.034 3772098.587 1789511.835 2436362.138 1489427.935 1549652.98 351186.2651 281760.3988 247040.2539
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzenediol 49921.03147 470533.8481 51144.99816 64964.83101 69154.51627 80537.76245 1655765.436 366106.0855 408693.0419 266774.1224 504267.7979 552931.4207 768837.2274 228805.2878 1104798.197 204706.8294 1367691.402 385175.649 610457.3789 1344407.003 920475.7228 292840.1886 664515.2385 476546.2189 330034.1846 451609.948 671617.3041 366954.7393 212939.6469 438951.9633 213715.7066 551326.6436 273523.824 814211.7836 495188.1422 1458740.742 679299.5836 599939.7692 337005.3407 419112.5721 266014.0259 1263567.186 1355649.897 952082.8256 839442.4582 2439305.96 900390.4801 1018497.278 905985.5488 865961.8164 881061.9681 938708.1034 374732.1658 414967.8914 605597.0678 463011.6881 905941.0125 570163.0533 297221.7868 390655.8282 693495.6222 805888.6766 1620766.722 110538.3661 1209377.292 223994.7858 1396938.959 37265.00153 53818.88848 406093.6384 142470.178 2501772.599 932919.5274 91143.88044 625419.3533 744153.8076 329517.167 451463.2162 2309898.659 3594.016729 99898.50947 7171.248605
2,4,6-triaminotoluene 26653.36684 434010.8771 10423.0293 29033.46191 36372.58806 94408.32704 1050595.549 707131.2665 651241.1839 399087.1998 1652662.536 992347.0418 1502632.471 1366570.947 912882.1587 2657901.206 1413469.67 3014726.533 2478794.08 167309.9858 3143856.101 1850476.866 1777056.669 2758551.838 524069.5935 611395.688 524663.3883 764811.9655 517305.5634 172520.4377 126085.9773 413785.2616 103688.9355 2873404.349 455637.2766 677608.7859 1064472.351 4843682.715 109380.6815 1278804.922 460306.0199 3431712.261 2218941.79 743630.9812 835353.3945 4715367.975 4843281.931 7901652.532 2543224.448 2586247.24 902834.9017 2165680.904 2588296.259 781892.7164 667441.4764 841852.6376 2841185.368 1058375.854 4446486.754 1094510.35 294506.2063 4420970.964 773583.586 87341.6368 1399673.364 558119.5373 1427012.189 33347.54138 82200.83431 44666.45506 173179.4197 166891.5787 694517.9948 64876.66391 1623811.977 279158.9887 325810.3365 708763.3261 2125723.9 5084.874396 123550.4806 28115.68716
2,4-Diaminotoluene 1747768.274 3916678.354 1756086.683 3304394.883 3114583.521 1172519.607 1052361.593 288514.9533 430126.7826 1079683.606 498410.7935 110976.627 347127.8535 314454.9382 393400.1185 515833.2948 307743.5658 469733.69 791252.8309 399090.7449 1326354.311 1913751.577 1115324.852 966769.7178 606948.3533 383383.6383 2799671.45 2612614.843 483116.041 260742.667 1168188.488 1402498.753 1203936.266 428363.5448 2716416.516 535965.1944 1198174.634 672942.5262 1101814.539 1135857.643 615793.7334 633541.0267 1234408.199 811934.248 1207996.269 542574.0398 422616.5869 322979.1418 609606.845 296486.0171 431123.1467 588543.5966 1217990.983 1334165.915 450404.9569 224677.3721 1123495.685 447979.7552 1252383.733 1452164.297 892328.9408 1739186.708 369121.5404 4211606.458 587047.9169 523523.6472 1375742.131 1220402.922 2033658.727 2279012.063 1020206.651 586945.3765 735459.2922 1438557.423 7283151.932 1162968.725 936863.6249 329587.2911 613394.696 407261.6457 530171.8983 139782.6087
2,4-DIMETHYL-2-IMIDAZOLINE 1564299.22 4115798.362 818651.4941 3946917.036 1665291.611 4690693.227 15385905.19 3912573.567 4358101.374 3869920.14 4815951.066 2563895.263 3865170.156 762382.7712 6173337.064 2881151.21 12925704.14 3979997.019 14514697.09 8468243.551 1839454.954 15605629.51 3269478.818 2451314.912 3253227.315 5320601.858 2945145.154 8188937.874 1287467.835 858960.6077 3299682.438 3538662.765 2822799.048 5122750.961 7896393.598 1401783.43 2693335.337 4821297.834 2271641.691 1622563.559 7387878.073 16437541.43 5324927.458 1434795.773 4796739.678 10109475.34 4016435.203 10922764.42 14382920.04 9605604.927 11625302.95 1491578.403 1222898.376 4380389.421 3418803.104 6793049.717 10282440.91 7359696.094 9703190.48 6423433.512 3401265.645 10341383.14 18513280.47 1849829.168 5184818.919 2276003.283 9947509.277 2766250.738 3865411.503 2822450.374 2337127.615 2099320.999 3566584.934 2632791.248 5848038.256 5599538.247 1450704.212 10405566.97 3917554.94 342318.6869 977544.737 989942.3271
2,4-Dimethyl-5,6,7,8-tetrahydroquinoline 9754942.079 5709651.926 4551713.204 5002291.064 4310881.212 2974981.675 1406410.021 4397126.476 1486386.886 2992859.099 3549494.882 2246725.862 1951362.186 2192496.044 2556399.97 1233261.586 1217086.031 1309619.022 1250745.204 5684318.125 2582885.812 2042083.156 1612882.442 1085563.563 2072702.218 1363219.632 5571300.218 3778835.103 1461367.656 1487400.512 6418631.571 2851866.775 3413935.798 3206686.363 3227883.888 3073511.803 5101584.196 2052941.971 5251507.355 2579304.783 4116057.437 1614124.778 2013262.74 1556932.832 2086024.961 1601649.667 1322004.864 1831963.471 3002738.089 1424230.97 1508066.87 2410581.969 2429878.898 4835350.875 2102921.372 1071824.755 2185378.925 3316456.301 3739060.351 4195716.537 7091090.463 2995119.973 3692992.813 4264995.511 4335655.348 2257683.008 4118282.112 3858798.792 6667285.741 7772032.775 2137524.638 2652012.971 2907479.891 5192187.798 2976687.079 4751951.135 2804406.271 1193026.105 1377137.472 487950.824 397414.8778 424155.6841
2,5-Diethyl-3,6-dimethylpyrazine 2432224.076 808789.2283 1698957.959 3794502.985 1656673.726 616443.706 355932.8792 483130.2067 162357.6712 788808.7031 1278924.688 85039.96004 244505.7105 419236.4943 374107.8794 140419.9603 246811.7191 67557.68772 178623.5309 485744.4863 138498.6767 276480.0786 519769.1638 1580934.935 540055.4319 689721.2447 516108.8795 3293126.761 625314.8158 1492193.297 1794954.119 651007.407 453793.6168 185605.0532 332635.4323 229807.0522 114582.1581 166330.8737 350415.5409 265082.0628 177653.9649 77849.40746 68372.07162 218873.5579 240820.7703 163580.7651 210530.6841 83261.74861 458187.391 239106.4475 503574.0129 154387.9695 81123.87923 759580.2905 133339.7426 87870.36733 270764.2189 127763.9454 432257.2391 443970.4323 352394.2527 100022.7814 425879.9258 2626069.298 229924.6113 387763.4337 811425.6158 153364.9112 232119.5938 171878.1162 1204083.201 368340.4857 295222.8634 627804.7653 132224.7476 346454.4882 530314.8717 247297.9642 194541.5273 81279.1037 69832.36411 127217.6067
2-[(11Z,14Z)-icosadienoyl]-sn-glycero-3-phosphoethanolamine 3087701.759 1663635.7 1156553.181 1547804.886 2327658.026 10152051.36 2936840.519 953152.5223 717677.9875 962067.9227 1997569.511 4995053.269 1151364.92 415374.5541 2967457.266 2275338.538 775763.2321 1758929.444 1097334.587 831929.5936 527173.9867 1575205.542 2661379.951 1949628.271 4118636.623 3369484.914 2113196.197 4014362.541 961975.3986 781484.3723 3419127.149 2062615.495 1182542.554 1636058.15 3250068.976 1348669.515 2370855.595 2390963.532 589361.3352 2574030.47 2812809.626 1078268.899 2020110.29 3657566.646 1417807.367 1106373.913 2734048.117 3108155.1 1200649.119 1631211.8 948872.3105 1584233.572 1570207.208 1167331.048 672353.5849 1155808.475 2096116.594 1427392.911 1207803.859 627682.9012 601700.6006 1805984.161 2377510.311 3841912.303 4398677.21 1918348.316 1127041.55 1843402.041 1798248.929 3327797.675 607381.4603 1396972.828 1094751.834 3702540.172 2078111.446 462901.1165 1266857.064 1799364.699 2515349.906 327554.8333 204748.8854 275987.8977
2-[(1Z)-1,2-Diamino-1-propen-1-yl]phenol 285916.0958 1178042.476 218313.2158 29166.59046 784772.8019 496764.6631 22917.47378 614720.0914 435894.5198 23885.95107 243865.6582 74967.82312 125807.9118 177864.9967 293879.4091 396593.1536 98486.80177 452430.368 1116333.558 2668845.66 63646.74504 1357798.786 99856.43816 926674.2637 385749.7323 671290.9779 919614.203 572870.3817 159597.4793 30449.78091 486048.5218 746792.7099 765090.8962 637613.9803 69495.2838 269421.0303 226219.1669 72484.23929 837294.0398 112000.1208 269182.6093 105243.4712 68664.19502 154934.5563 36635.20636 61520.27977 40317.18985 29752.11999 33159.59266 21644.36701 19167.77044 5191.676195 89595.20916 282214.2798 174212.5778 199947.8414 86688.80219 40339.42374 262669.7697 34078.31073 484413.3986 452929.3973 185808.7779 63392.46529 466773.0856 603890.2885 261426.6278 1295546.576 1071771.347 606671.8927 414168.1302 1878843.235 94459.63973 556693.1648 1130639.989 181002.3868 251332.1589 287054.3707 334521.2327 23230.55636 16097.79096 5747.890055
2-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-naphthoquinone 285516.905 3899819.139 298525.054 705572.3318 876707.6478 2427801.864 20612047.88 7093711.573 30246085.1 35309739.44 495258.9275 10254776.94 3931658.446 4039285.21 16343160.62 13017706.13 11936218.63 2903130.701 2038717.632 1321233.489 1898656.788 5336713.392 5064343.307 16537871.44 341798.4002 1362589.725 3411631.285 5350826.51 22547625.68 1519368.747 697154.689 2097335.553 723341.515 2471814.707 1345685.661 4087267.235 2287078.384 7061172.601 418759.2344 5722751.947 6441234.943 11959822.54 1344021.968 1741315.278 7775239.665 5498079.687 1626392.869 4041549.093 1556964.246 2067517.968 910509.5095 32881704.96 20567231.38 5169787.669 14402213.72 17857053.7 20368570.21 2334667.138 10346314.57 3553470.541 6327937.769 6500472.545 2171630.478 977953.3283 1794492.748 7961342.947 3652140.101 909033.8678 796569.3231 625845.485 607842.8355 1155840.97 6840362.167 885299.823 2394860.333 1374838.612 1977202.155 24526947.43 28879009.78 7175.452156 82524.33213 14368.54785
2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine 31258.4166 1319841.674 173786.2452 202420.816 102061.4846 1914377.206 217675.793 140854.5862 444528.485 625580.3443 294174.5741 464466.5599 164840.8924 143456.0977 189968.2821 211867.7696 145043.5836 334523.4994 333293.878 147673.2602 369805.1022 471216.3045 181538.1534 1096763.526 164108.941 166970.7433 168545.266 661075.0963 218582.4471 84939.38901 57383.7543 335422.1818 120642.5001 1563156.869 523876.7645 1191228.374 543484.256 536837.2508 136536.3681 472773.819 287003.5481 761824.1037 2939284.262 3464190.762 4340482.097 393936.911 2011933.76 1930618.295 235125.5356 352783.1368 251755.1047 324079.7216 288621.3717 553554.0777 164018.7911 145957.736 209737.5708 558641.7846 174320.4885 139559.7825 352413.9569 321513.1587 417629.5029 80612.35831 975330.5636 482610.572 462148.0241 89310.76321 123565.5365 112713.4813 116823.6438 319892.0897 748921.2541 114301.6616 463213.3315 50928.81013 292358.5206 474048.8346 472900.3662 4115.338557 44859.21964 10174.14429
2_2'-Iminodipropanoate 18272.77775 13844.37451 22018.06735 31596.99018 32182.06932 5383.164927 173235.1726 159552.3351 235388.7558 118891.1547 211755.6985 126831.0887 139931.846 77443.99438 104807.2102 46469.23736 115270.7056 28325.37025 1247549.562 10530.76713 67535.01077 139829.9807 83341.71526 31773.49772 49657.57147 390167.1506 1123771.369 254542.5578 83562.93314 38206.05777 15863.26476 8686.257196 6085.801291 39489.85204 36980.28255 878110.8948 71101.67263 263352.8195 103747.1432 129668.6161 64139.64209 300362.8228 1060968.626 212484.2404 1106622.086 83449.6847 87806.63335 125522.2313 116004.9582 106548.4145 1434119.543 157782.1565 134449.8378 111852.7807 251182.7988 938719.4897 1295720.989 471061.3413 77021.16057 189333.2891 185135.4132 180085.6387 170397.515 11728.44844 82283.40098 1029282.609 377584.7583 10012.66255 12003.36367 45726.70836 12126.01801 103082.353 98341.66975 37821.13208 102156.6275 9114.163295 88397.81257 86876.24313 79571.02646 930.7878747 78247.2583 1658.020688
2_3-Bis-O-(geranylgeranyl)glycerol1-phosphate 1038631.49 10306168.77 2043234.186 2121566.788 5195608.125 2767610.749 390241.2716 442187.9797 2764999.214 821781.9766 7136562.988 1414000.481 2973353.836 497692.1937 3654307.778 3492518.828 3020247.151 2488980.291 3259770.906 965715.4877 590361.3938 208145.3548 8899970.8 580712.6628 2744529.254 1731141.593 570354.1684 4091316.936 1679871.029 937535.2803 175926.9058 2968879.811 1562830.652 2798076.843 1480590.496 1607519.121 1150260.157 1536817.226 1857677.103 13480459.82 3290785.629 3123360.118 3747123.504 4027978.207 4824909.591 2866571.729 4168869.572 3583387.138 10888992.27 4013691.828 1262135.566 1024071.892 798986.6928 2777320.563 924784.4793 195475.8233 1129411.792 990366.3932 586556.6736 215534.3867 400666.2275 1389577.841 332114.6342 199809.3504 434102.6263 1008462.363 2758563.761 282612.5773 1433392.153 3895303.549 623662.5151 369760.4978 2724089.948 2527699.185 3065203.766 699491.5259 1126723.416 1758977.784 1011173.246 12297.51858 109009.9082 45959.08125
246I1D7TDL 3098452.293 6455994.144 3480232.191 1143447.038 3169799.441 3715516.174 1497706.523 2745970.847 1337808.286 1695893.055 2250007.962 2571919.016 1881660.025 1303143.254 840594.1272 1104005.743 1127125.919 2164501.589 3350013.419 1192432.87 1662077.516 1304491.983 1644189.233 2958637.999 706633.5431 1840412.706 957902.1852 913793.9292 1593566.617 2908373.336 2536463.01 2039348.544 6442960.444 1123942.567 1549257.358 797957.2716 1219162.899 1543033.441 2411228.108 3068802.046 1231611.212 635003.7642 905722.8838 592573.0896 753392.71 2214258.776 1011570.104 821752.9518 1102378.434 1225302.818 736285.0186 1297367.55 944820.2868 9568235.708 653621.7615 2164719.604 1494138.626 2693630.294 3497644.078 1355511.525 3559418.413 2319896.727 3052215.734 4538278.613 2389095.487 1503845.414 2282704.116 2692091.806 3806623.117 10087832.16 1458951.306 3632033.632 3105927.482 2676674.204 7712723.42 2561359.935 1080626.89 1383924.417 2023872.319 390170.1491 297965.0517 211555.3114
2-Amino-3-hydroxy-15-methyl-1-hexadecanesulfonic acid 8436239.156 8153497.125 4788893.312 8387265.616 5163179.864 8936678.507 2913696.257 3679131.002 6068778.317 2543864.199 5716230.603 4592818.547 3515259.142 2910552.199 4523210.416 3236934.162 4578707.424 6784253.867 3624476.905 6217033.371 2338260.742 5442580.68 3034029.065 5207625.732 2461964.051 4927639.296 4391144.264 4416632.4 4502389.24 3052218.997 3007845.681 4997275.381 7353974.577 4006482.686 3604459.507 9272093.002 2796048.675 4695644.193 10177836.53 7042447.918 3477584.257 2425816.042 2957338.895 4715802.122 2710390.023 2512802.382 2517132.935 3491230.347 2375859.314 1982996.953 2984360.454 1663395.369 3279503.493 6221839.735 4549387.44 4109495.895 5085635.979 6918409.319 3825670.353 5045732.992 3317918.849 3149789.394 4050594.39 3957027.305 10678775.93 3226899.95 2963273.711 8484856.693 7662441.026 6591461.121 5576418.19 5525887.971 5484683.809 4504366.661 5516751.88 5415698.114 4443705.68 5480862.149 4479206.304 1353705.715 433768.1173 439173.3111
2-Amino-3-hydroxyoctadecyl beta-D-glucopyranoside 154819.6782 241304.6962 123590.4646 361390.9285 1077082.741 149471.0769 56086.21344 1575597.768 108607.9715 81405.34652 111574.3381 362902.563 613918.1944 290166.1549 324858.6939 238681.1097 379483.7178 28427.24199 46918.05831 142922.5534 550890.1087 349968.0889 105974.7435 379944.6318 53494.66937 192140.8394 42259.14894 340236.4299 47664.22168 445049.06 95367.79333 322758.0027 246661.8741 459384.8644 47114.1167 162533.6661 472645.0695 74555.81799 344794.1047 216687.7954 141398.9633 184930.9065 111518.2383 82373.09225 200549.8352 439276.0607 77216.92343 81408.36351 129222.0322 90819.14052 80276.82739 58740.94996 265994.2697 83007.74951 1190070.869 61179.80153 41365.18525 523422.5128 169014.6575 227761.436 214857.3037 98034.26278 145934.1358 618696.8735 301307.0718 438675.0021 64507.76271 362740.1311 32873.62881 625848.5736 156584.8407 1275628.062 209891.3704 618997.5151 75629.07889 131128.4673 17821.79956 402805.4281 57025.4338 25818.01537 7041.077812 9714.180512
2-Amino-4-[(3-aminopropyl)amino]butanoic acid 3134813.001 6636192.785 6345620.171 2758165.218 12269941.23 14686448.96 5165987.88 10458956.73 3088824.207 1816026.801 4295272.6 4713298.629 5621346.712 8721322.986 3280682.479 1781187.671 15703311.13 7414215.908 4301485.036 20786197.66 2592359.063 1951865.005 5012530.599 11493936.47 10007870.36 7656452.562 12269245.22 4785029.159 8606245.364 21726077.51 4413633.815 1305544.139 15716240.1 3481194.394 12833785.58 11907809.65 10084875.73 3264365.851 13659225.92 3546639.644 5522165.539 9546776.692 10111185.75 4379674.323 3396963.846 22561590.75 4760140.096 17813215.56 9984236.857 6549976.191 5073204.563 20421960.08 13256280.86 20796316.98 9127829.379 3289479.511 7913517.232 9384970.566 3239906.775 5764758.197 10294224.43 2953712.976 11754961.66 12652126.13 4001988.302 36564834.57 9992766.148 4807680.7 25485718.52 5680518.546 5978915.763 19171934.3 1519120.404 8136693.394 1960715.209 6461636.814 7407925.114 6979537.765 3207149.532 1884086.781 2538884.186 3109894.641
2-Aminoacetophenone;O-Acetylaniline 88605.71784 230862.48 42790.87767 189801.1239 125747.0721 34340.31624 473115.977 106937.8577 228930.0165 72623.66834 168584.6494 8743.42723 29615.33936 93697.43011 90516.55659 54008.33645 156398.3593 6077.809391 80605.84094 37337.39594 223005.4355 162021.8106 40058.51219 100132.2219 86656.91924 53734.444 86758.56311 226530.1576 162725.296 81824.81206 344427.3617 399207.3506 68085.10221 96679.32743 146683.5465 85425.47083 406935.9145 91422.41946 57956.58831 58165.29735 65577.24841 15127.23564 229492.1461 84410.96187 181669.4896 44693.79351 36926.69039 36918.20778 154787.957 61951.97679 26991.54703 146178.1892 297883.9155 34465.52744 79515.41231 39205.8504 79669.91555 32917.19414 157720.5479 301694.9666 303924.1939 397597.5475 116340.3535 257723.8554 25954.4269 69541.48595 121644.1397 53616.61405 334111.4081 887984.1307 108489.2191 153570.022 98175.83269 42178.59338 199963.2446 187611.5008 137108.5394 16390.42372 50146.26763 23538.42952 14400.79137 10728.36335
2-Aminophenol 1052267.849 877549.7325 405426.2719 354265.0678 1377283.071 641629.6513 616315.9979 180893.6999 253567.3018 64037.32349 350303.9118 55646.74379 326520.8042 128523.68 1028583.553 110315.8325 330504.0707 462303.7417 381085.9061 106139.7299 280233.2475 203925.2569 420697.8168 634118.9128 300952.0576 303253.288 355118.4945 322112.908 261291.2684 904352.1201 751042.3786 305096.2757 102449.0748 415302.0549 307698.7464 199607.626 1743727.056 261319.4229 241845.88 479921.1585 103965.0457 228325.5496 296212.525 228109.1895 247724.1869 88313.27891 84368.26769 166536.256 769675.9755 135492.3012 110917.2681 82791.55199 303234.1768 2515698.644 326351.0627 27776.06749 250045.2908 465532.7294 972284.1301 775374.0107 678048.8118 404476.9329 406098.0602 765653.6631 283365.309 255373.5252 519013.7557 444061.9364 493197.191 802250.143 1219002.001 406463.1733 355815.4542 113838.5673 216449.0386 963082.1651 464410.3278 87563.68 167363.0234 65170.86806 16824.29141 27765.12598
2-Deoxy-2-(dimethylamino)-alpha-D-glucopyranose 88361.06037 4911171.276 392441.7935 2253619.428 3507916.702 6670669.856 2092480.93 2290097.502 2776898.909 731146.94 3106778.221 329188.0842 3231776.454 3883719.938 970591.2001 1161007.162 1835378.993 2384905.545 9772572.71 3567862.417 1195034.618 1680118.202 1264505.537 1765869.519 1671839.784 1892920.48 9320797.382 7290601.199 5707025.535 665833.3708 1565325.817 2900623.655 3430068.845 488011.1593 773154.9742 1987283.374 815915.5629 241756.7289 3246382.226 630892.6217 214535.2472 2072612.652 528642.5665 555394.1201 10284558.71 2060218.458 758460.8497 1065690.834 7268012.027 834570.0312 977169.3464 457242.9573 1301314.681 1388833.823 1136949.59 1388818.487 1655411.86 405258.8997 1861105.99 1004988.46 2859349.091 1427755.485 28426345.15 5310680.901 930020.404 610823.1698 615098.8821 6601083.985 4342732.23 4322896.424 2098461.921 3246649.15 594205.698 5199835.516 1490969.174 492908.0166 88536.66851 3248147.537 8955786.126 1484541.078 353214.8926 697648.2963
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine 1784058.014 11299337.41 2839175.789 1201007.151 2569575.35 9708528.59 53234155.14 27257804.74 13318928.19 24514546.44 27977632.04 21377755.96 30001765.63 15891175.23 17939837.49 16631634.07 23928515.23 15577712.5 22039850.85 18628067.63 23044682.49 17798264.57 15842587.25 24688275.59 27761688.56 34804001.65 5966635.94 39436075.13 26272420.06 22833961.25 4352450.544 6207180.099 6321897.692 24013590.23 15844265.3 12486525.21 30394571.3 20881727.62 9031599.14 18744942.06 20490363.87 72048054.4 31391944.82 38391323.98 24037084.33 33448709.82 34850396.8 51254757.43 57564496.76 38650919.11 48747310.4 16154212.2 11923376.84 26475064.09 12924628.06 38715374.27 29105454.47 14332284.5 35165440.28 35884563.45 24153458.97 14372225.93 44992523.95 6065590.945 46915172.98 4757571.515 50293937.27 1624529.236 5916065.113 6015903.606 3858083.122 5903123.684 8220880.922 1557877.249 18217794.27 14698521.55 14814579.55 34956968.93 45095146.22 1040003.25 4695470.177 2654436.731
2-Ethyl-2-phenylmalonamide 45146.31888 416228.899 27916.0475 115705.7595 29506.36078 480515.777 1225415.212 223758.9339 170456.8742 213967.7936 146962.9554 135611.8298 288028.1404 777186.5862 345225.8549 713743.7959 346368.0019 1187055.992 298029.9162 185025.3357 186475.5323 171605.681 366362.3677 242207.8738 77160.09996 97197.94693 69962.0411 194462.8968 119162.1314 41874.53157 126242.2415 124558.3427 156561.7721 285451.988 278330.8865 1463530.139 322236.0945 934478.595 82187.17112 638908.9366 326782.0008 1911508.264 724175.3083 2103355.54 2152742.989 1441746.175 1128511.951 1411339.211 316458.5559 763157.798 201167.6315 488038.7665 189061.8086 348684.0695 325264.2874 135721.0977 460499.6127 318239.025 323173.8296 275122.3952 1507727.096 2327255.274 3070079.807 164618.3603 742787.8922 417779.9705 1730637.786 305466.1407 183752.1126 177270.9657 136536.7153 326973.7032 350889.5377 78783.88782 185340.374 361203.5714 293506.2672 137053.1943 88162.04769 2200.382482 44345.98251 10659.38927
2-Ethyl-4,5-dimethylthiazole 17178.99333 154084.8325 78918.54713 230765.7562 687769.9287 95444.58196 4647.902138 1006096.118 9117.241484 11310.78459 71245.66355 231731.0086 28219.79904 119767.096 24590.48994 152409.5444 113944.9676 10384.68734 7757.048009 7282.450483 14129.19195 30238.89255 12625.86604 182777.4865 34158.95877 122691.309 11733.36738 116029.6848 13678.85781 284185.5586 36942.47397 99767.84345 14383.85756 127832.1801 30084.66431 8344.897535 91945.57259 25824.19786 77450.05481 138365.7392 17977.98063 118087.4148 26188.76517 18200.84352 128060.8635 205764.3136 66878.19944 10572.00353 21281.43926 21505.78156 27731.73444 15977.50693 190234.0535 53004.5017 90044.50902 7401.667319 11379.06134 1620930.381 182328.7507 1053956.756 131846.2101 35318.02536 16247.46109 395068.1675 192399.2795 280115.4113 27007.32753 51770.46559 20991.41736 399634.8772 99987.06751 14926.11583 134025.8899 23050.01335 48292.86017 15284.79227 7247.574847 257210.9366 36413.52428 20383.53598 6236.54415 6202.978644
2-Hexenoylcarnitine 79322.91592 95595.78977 5047.929214 66065.88428 32535.712 51759.98614 664916.8178 1449687.637 1442938.568 828258.9539 2148849.758 1275633.852 3640002.139 458050.0748 1700260.965 1092115.386 1100899.022 1925803.718 451807.2897 381371.1272 223125.5718 149167.8029 336602.187 385361.6183 97540.79332 213601.5722 1548513.405 708791.8413 171772.8164 388536.5849 250561.8824 27655.87185 93709.21753 287913.6864 249780.8813 337029.517 1729902.125 3813373.502 47664.57457 560698.3296 899517.3628 530931.6283 5054499.199 4399078.827 3897248.314 478339.8952 1685153.318 628838.8927 2739289.109 2519953.192 1052776.144 1184604.851 2442899.353 1625731.566 204839.1595 1990599.431 306892.4572 101082.6103 209930.4666 241281.9117 370014.0993 903278.3623 500896.0934 16267.01174 4196644.707 436514.2733 821445.2508 13993.64258 10802.312 298434.4392 1209666.316 914238.4383 610946.4828 263584.8123 469627.9332 2374600.164 555637.2022 548552.1972 2941857.489 2484.986381 14129.1298 3465.298025
2-Hydroxyphenethylamine 2672091.254 1579093.047 5555232.988 4966966.066 1908251.001 2771842.818 1249927.516 3950991.365 1616315.215 1266515.735 2005179.935 1214928.236 1906648.983 1182824.707 3240619.909 1156386.535 1178707.444 2591680.389 2028653.307 6846694.048 864169.0915 3410996.173 1795212.138 1662995.6 867795.7525 2827878.29 641050.5432 2331784.238 2586847.36 2943869.255 3136394.875 1508888.659 7719605.805 1813431.437 2793123.88 1430632.523 1838322.358 1905667.564 8006280.323 1210720.185 2861519.503 789327.3063 755016.8587 921216.9548 912482.7527 891226.0153 650130.5133 844157.0912 2114839.046 639069.4433 1444812.661 1378441.743 2024139.573 3199427.914 1188096.186 1528428.486 1955831.911 1502081.544 769040.3696 533907.4715 1467786.476 2403015.784 2174520.148 2842637.391 4368150.137 1204312.518 1722605.954 2293181.275 7109328.896 3415164.72 4457549.173 3107113.785 2553367.012 1625278.902 1481518.265 3474910.741 1669296.914 1960708.032 2244528.469 574840.2466 278867.1283 303042.9388
2-Isobutoxypyrazine 9791.73869 158756.7532 99270.65035 512348.0601 64605.52185 27984.98417 130372.9954 154595.7464 119679.0107 65045.03488 66006.73281 492361.4799 92036.2536 16041.10702 432452.5743 83584.25073 16179.99314 18338.90364 9622.033869 1399447.549 45019.48192 76842.56072 28631.78067 3178.755208 112309.0463 542303.2393 25759.34667 199851.8745 59520.05921 26972.09662 129713.5806 24766.29263 13120.68701 288333.8615 17871.0789 133538.1321 8971.36596 237878.2424 106327.4404 16964.87821 237892.6712 60212.13786 20866.65024 43214.40679 93131.19891 26360.57041 39076.3836 75262.02127 53412.47879 83050.06638 69106.284 192310.7232 32727.97064 300908.2403 44920.17988 14098.0271 125647.9102 18316.54072 31584.82661 14947.33396 14089.77183 25284.62176 382951.5545 372901.7651 534879.3524 156069.8755 24702.99446 322914.1036 421198.8227 191538.7001 237638.33 120637.065 16612.52534 169062.7722 218004.5945 274884.1012 47839.95284 18378.95879 73444.0341 44200.6379 5996.135082 14344.95571
2-Isobutyl-3-methoxypyrazine 2535991.034 1745517.882 1229630.695 2399605.433 2602837.186 1288951.425 878504.7416 2065701.181 553390.1017 583662.3624 1241319.7 1597195.587 5082106.652 1335291.722 679064.2818 809210.3021 775939.392 1961326.126 1767220.122 407789.0854 635310.4378 2745398.329 1205643.989 916613.864 1060915.676 1387823.39 1359848.64 1114107.503 1076186.589 1593298.038 1127577.91 1321577.745 1465527.655 1012570.251 818976.9285 1030893.824 1040312.058 439620.021 680819.5016 715871.5969 675407.8315 653197.1415 1212756.307 824367.3281 628818.964 582873.4599 475583.4982 2166717.52 1010622.074 1259583.27 1114594.377 513229.052 446812.0468 997881.4917 900110.391 1039413.801 1688878.095 608601.2505 761518.6023 1150312.76 986845.0867 482918.1209 1053966.677 1575558.712 716621.4723 783350.3122 1318289.136 1235806.545 2381998.965 1535599.185 871374.3148 1972549.539 640410.1841 722049.4292 673400.6304 1635979.073 1229502.302 1914304.056 552666.2649 635754.1618 180931.2891 142147.9667
2-Isopropyl-3-methoxypyrazine 432595.5411 1981507.946 575309.1576 675496.3325 964945.7209 1949839.768 4199558.764 1249463.227 6396494.963 6303163.665 5173458.559 6111526.774 1634881.381 6467750.619 11260526.56 7144898.198 6793687.685 1689265.847 1394598.076 1227836.479 1380634.405 7903493.092 1125615.938 2783965.835 1137428.304 4768095.621 651893.8122 6102376.297 7076616.915 611362.3444 763255.0269 1364182.755 810865.4027 10096546.91 13069423.75 6359372.99 2271597.948 2592147.948 2349174.934 3198386.809 8497167.622 9762620.232 3578436.112 11234440.68 17422344.18 8041684.766 12390937.37 11661528.49 9549273.278 6738273.208 3662206.882 10798959.23 1750111.311 1763060.893 1703324.083 1297307.035 6767597.253 2098115.907 1518351.3 4653027.391 8571848.768 6038912.891 14272328.97 1274773.081 13447418.62 5975049.94 7256131.865 1956941.015 787627.6381 5137230.09 1762801.342 1384714.875 2498377.512 1081679.18 2125654.642 1756046.709 1362626.025 6114163.97 7160907.602 76526.6881 2522925.015 83976.513
2-Methyl-5-vinylpyrazine 134214.8861 239363.6064 14557.51439 795296.1228 12991.72739 30553.8386 68557.95915 40604.38408 183006.8501 88389.2657 134430.6021 144285.8501 89694.61426 16213.81815 155724.7373 95801.27964 60413.14081 56992.26286 109255.6847 85787.4416 16948.12486 85564.75234 111639.7791 58307.93735 38293.90909 648904.5181 81830.65544 57247.2285 8974.031503 226889.1921 242696.7867 32341.34105 126466.0523 116243.1129 40900.06075 12461.00019 11569.95672 154226.4854 90565.79492 52389.75396 197446.7356 30670.18969 13986.78777 34579.84792 44810.60582 37675.68145 76836.59005 51216.28785 70392.5589 63177.88525 76994.45447 134357.2987 35267.26086 29485.48538 19764.24913 7808.12672 441277.6615 42126.25885 119813.0315 35799.49764 38334.70329 42958.83352 328712.8909 273009.0872 1984460.675 69316.22127 26144.44111 296627.3353 240405.6192 927638.6628 166862.5626 480583.2139 149987.6262 587231.083 19949.44617 15370.68967 62840.16468 14740.49219 143379.6086 48144.48685 10646.92213 13193.43121
2-Methyl-6-undecylpiperidine 33756546.87 38179028.07 49141188.42 74107917.81 62398508.64 39417663.35 9968068.768 31442311.4 13425906.91 16157586.11 17855964.35 12298491.47 6082438.718 5450334.426 9121296.399 5815613.578 11995286.01 12004029.16 18061384.48 55664230.71 14781603.96 41668262.87 13684737.58 20710386.62 9461532.458 9934973.987 8487845.213 13643634.93 13945221.16 19626834.94 13098556.33 24264202.46 29047998.93 17832055.68 20128460.29 17575191.48 14135189.66 8051584.843 15522599.69 7589194.651 8689735.898 4094401.546 6262930.338 2459128.102 6281720.937 7475439.032 3910684.669 4972831.82 8129532.445 4145068.955 11291326.14 10217509.76 14928744.84 31639347.46 14236596.6 30534326.89 16491498.26 14968350.4 25957806.71 39115899.72 29730784.63 27793856.91 43857202.21 17797590.31 46813198.15 12936358.67 15769175.62 31966214.93 51521139.06 41270371.38 29843105.27 34160135.19 38878479.5 37814759.13 26936606.4 42635564.54 31364660.46 12993305.35 20482745.59 2975895.368 1280522.086 1322593.743
2-Methylcholine 80758125.71 245475874.9 87941526.27 146635199.5 113856491.3 207378665.5 1142035763 1204238089 851411641.2 1605405371 1319103526 1576612351 1782271870 1288640982 1729376526 1111669510 1344238920 799680601.5 1566884694 308212652.9 1295139410 985408634.6 1424177475 853665428 887581391.3 965742109.3 696141568.6 891441979.5 780946065 532276017 175324163.2 463202894.3 223032563 1386038994 540617389.8 1404591782 958783072 1333975593 293833545.1 1305966911 969977413.3 1621424388 1004885187 1574914789 1685389714 1919765426 1638859790 1841281563 1671225371 1189563524 1592704742 1832002076 1276543086 1481359485 1718272243 1395453370 840788498.9 1204034373 1413834888 1649397082 1200460261 1185903744 2409838274 226210065.7 1680077968 384936270.8 1232895283 90622668.69 127044397.5 305364256.6 178732055.1 355275650.9 619167328.2 107757659.8 1132985179 672767114.8 1070879793 1523737500 2005178789 16545342.69 191433133.9 60752410.49
2-Methylnicotinamide 12647.98602 98141.00754 52471.55539 2646.653996 49455.55688 24130.27601 11993.39053 24156.69163 38371.73203 70409.01759 69088.57741 4284.931981 2178.91693 13880.26794 119805.1994 16271.84539 25660.48615 3665.047835 139344.6718 24788.08358 202831.9146 6208.061558 7741.112366 16750.1617 6116.879588 2103.342939 23155.72876 7567.573805 11654.58968 26989.57254 52161.90993 256244.8001 30402.25167 13757.61706 43070.36458 19894.95079 82368.65112 28575.79066 34514.32379 74844.67757 37403.85065 25355.01551 4656.512584 15965.18862 199129.2566 3750.951888 19383.03594 22022.91182 88156.04606 29141.85895 27483.43402 136025.1083 74857.53739 4671.842387 1378.576095 27703.66954 6002.190603 46298.8042 134686.0168 189520.6775 61328.36133 309341.7655 32947.92259 55807.04145 5944.975195 43779.89732 62297.38563 12430.79398 192662.5179 80587.87549 14813.82621 141189.4152 25900.09613 80867.05754 56698.65695 133422.7573 105595.1287 3737.62329 28127.77474 10994.60324 7355.16401 7789.084202
2-MethylpropanalO-methyloxime 1874699709 2169307674 2722059096 2683587626 2909709470 1608736820 1134236136 1124718748 1109123461 1051185384 1401015494 782928044.2 633678975.1 559867458.8 1005684609 742291459.8 943669099.6 922545728.4 1472221759 2422473771 648878670.7 1894017505 1385532656 2273804447 1570172537 1383416133 1720347699 889553362.4 1280512670 1536976593 1422740772 1782608633 2058597305 1819361366 1015131963 1458634977 1497388456 1474065471 1857084167 941421666.1 905529275.6 709597462.5 748342170.5 600195084.4 1024228036 950875417.7 635237840.5 1114733856 1301533863 530787827.2 696976099.6 1047342037 1286835452 1663584943 1209280986 986571223.2 1076167785 1616767762 918017428 2029770390 931429079.7 1626266415 2113589835 2570835990 2176451114 1763893025 1255917733 1602642710 1641226369 1995277710 1602850229 1400407720 1632691600 1442364295 1731801550 1920001781 1191679028 1490045769 1038119785 219698953.2 408536122.8 256607098
2-Methylpropanaloxime 15904144.58 19394836.35 46762219.81 25628332.17 20722889.53 13341628.54 110335275.5 70622430.26 40670944.14 24645161.58 54368513.61 130884606 102909841.6 64556611.2 83991558.72 71523941.31 28483199.41 68991174.01 58057462.4 44714667.97 88266006.41 17316111.82 14441902.98 12226531.35 31167716.38 17766618.04 24499406.6 24911286.66 16024483.89 21213325.57 17604251.75 20736155.57 29026906.91 25374334.27 31410892.92 12924862.03 18952799.51 72267572.61 25593011.08 30258847.66 46863614.49 58286176.41 66160181.96 72033402.28 61365353.17 60111676.05 68584487.92 67193860.41 60495996.36 68911223.15 79272007.26 60004194.2 138861773.2 24459792.44 88289594.65 129880910.9 37309184.77 25107749.51 79333855.44 94976480.92 13349192.38 41890839.59 23180800.65 14793989.87 23391369.29 26951670.69 67483670.45 12376781.15 16774377.04 25032115.49 27109380.55 16824384.62 42673435.2 9583496.931 26775820.92 39792650.22 41820487.08 14927965.53 53010908.51 5471310.574 4690782.228 951398.2806
2-Methylpropanamine 231052609.1 199064785.6 365691864.1 526927674.7 95708437.13 189212047.9 125694940.3 525982345.6 127274213 159228854 224522435.8 527463608.7 223806882 116589742.6 128713805.2 67076445.81 106149902 369689954 102091216.6 220577215 146227537.1 121629147.1 246064022.5 167534693 318565255.6 258167728.7 635718196.2 206621955.1 121066131.6 234318028.9 173754069.6 328068996.8 314197531.3 307962536.1 341851052.2 209207268 161767099 90679268.33 240932078 487146729.5 103654234.7 129712837.3 129311446.8 127998387 664283271.8 210074632 745969690.2 430907765.4 199418425.3 965476475.6 257853996.3 240958383.9 539538683.9 89376959.97 100396665.1 175313969.4 467865512.4 106857644.1 119101417.3 155654377.6 113850275.3 92496539.11 87087871.28 262900268.4 114373206.2 572919638.6 80061870.66 109523752.5 63232274.87 103425150.9 100306551.3 145537935.5 135422878.7 182944724.6 133848494.2 212155585.2 93657398.36 131169695.2 477538057.9 60800488.01 44132398.75 51321777.58
2-Methylpyrrolidine 2646966.669 31445559.41 24246728.7 4437136.447 10316125.8 5387922.352 29035882.37 1917008.355 4174463.688 138922406.2 6925726.155 86376187.72 7014857.339 1609496.373 22295544.23 4582449.476 31244653.8 2468655.293 1949510.438 25535157.27 18428516.07 34283707.09 4537796.952 17742190.48 124719092.5 116191485.5 94539595.23 52750247.37 12868480.64 13618083.87 84757731.58 16538083.54 57890259.82 68067494.42 24413185.52 7198155.028 32857185.45 4364328.636 40777330.5 4213509.535 158598680.3 12707964.5 5072707.316 5455959.341 20360468.03 12187213.18 14983060.43 2553145.203 21022019.79 6762106.841 19232962.57 7993703.874 15283909.47 770034.4924 43303004.67 5068613.883 2808840.845 32013246.73 5632748.005 1622215.552 61900681.73 25151857.23 16263981.02 18633585.33 2293807.261 7423394.724 8939783.427 12784024.11 80112771.49 101204351.7 5761499.209 31928864.96 92165674.1 111562674.5 10162911.18 45798817.72 19116714.12 8018824.428 53378788.07 2735332.467 4086450.953 11051088.35
2-Oxo-3-(phosphonooxy)propyl formate 404932.346 856207.0547 1257099.591 3593217.75 1937993.768 1945956.553 3920420.297 3289226.77 2330343.427 2490658.411 2601252.667 3586507.01 3006644.469 5546611.58 1983133.274 2128293.311 2378022.176 8805564.167 3015799.511 2267259.314 10028227.31 1049574.653 3303087.295 3103650.991 6273434.622 3130708.927 2385553.628 3776462.829 3393530.176 4125528.706 1512195.794 3555404.926 2363510.125 2241703.133 1044606.831 2633229.097 2382514.123 10289275.09 1805576.265 1630344.853 1790078.617 4134703.131 11311754.31 4025334.307 11303436.91 6718496.92 6176437.504 3843703.436 3712591.468 3758989.124 3271546.894 2752165.681 2284867.895 1654924.415 3800906.243 4611675.541 2339874.925 1592038.967 2142987.517 3160360.111 2824594.656 2202159.697 1876814.013 1262168.671 3289156.262 2298674.972 4925243.69 1428797.274 1021612.033 1209801.401 2842637.446 1213128.471 3036680.653 2069419.855 2044899.98 4613500.724 2768977.894 1609401.306 2366619.608 1248035.444 1063331.656 129294.9017
2P5MU968XW 2836408.749 648626.3589 1246393.083 1569767.96 665587.141 2173297.118 1527017.033 996148.9478 1439344.941 705502.8507 1341160.259 576998.003 1927782.554 2407798.005 2212853.803 2739749.451 630837.0461 2098052.107 3554316.196 1575869.756 1394165.041 11679908.01 2434697.483 1038433.393 2596176.51 3446508.563 3018385.284 742572.3995 1361170.684 1653760.323 1482533.98 659532.5867 3345788.4 889165.2181 445565.4012 2837792.261 2284435.865 794786.7121 3221259.842 2270885.194 1444543.265 2435849.085 1143139.259 730336.4578 5061062.027 3326272.848 1893497.398 2644500.192 3579382.187 2085733.963 988303.8048 2828823.194 1132699.71 2448536.779 2053997.77 469895.1101 1655644.731 1348103.349 3069447.122 1161117.108 2136081.692 2419805.87 3349887.339 3698293.862 935540.0939 1896831.567 763948.5229 1172216.609 2003668.616 1761236.099 1318476.414 2942112.561 1138476.784 3626540.448 1482300.85 828093.4223 1064604.975 2185504.978 3620060.72 628103.1064 175848.2425 203262.936
2-Pentyl-1,3-thiazolidine 43025.40909 324959.2336 36789.55326 55707.96108 25333.75353 69232.01392 332432.8822 427970.4759 214533.8638 213929.6499 156768.6923 73085.11529 218544.3015 111718.6512 242160.3217 165886.7034 184689.8662 169783.7109 145582.7232 81610.09122 124360.6051 146303.49 264001.4309 274275.8266 99764.33068 602880.316 60513.81136 188731.5213 149530.561 41289.24722 233667.525 127299.2479 231227.1096 150313.9734 650166.8462 235899.8658 255602.7837 268353.1901 54361.0978 217805.0648 885592.291 471824.5622 1298906.941 267978.1113 520204.7929 1386358.037 170121.4506 945389.0051 565541.7009 182658.8596 439054.1081 205177.8389 53819.63002 125390.5812 149720.5007 108862.9797 188449.6025 2056899.854 546472.4716 330384.9822 232774.4273 162722.0911 307597.2096 72449.5924 733172.9957 180972.6472 1398078.016 17173.77224 57845.90158 160316.6403 107532.0783 302881.7726 199729.3382 30515.39786 128946.123 205769.4562 198940.981 991590.2957 245053.6889 1580.702724 40331.62621 11614.09213
2-Pentylpyridine 485786800.7 1031222372 700163243.1 693731444.4 487562821.7 595410135.7 42442914.28 176898547.8 129632592 150399472.3 140079272.4 112131768 42658075.59 64068101.24 154890754 42936877.06 196263043.2 115707571.1 72884938.55 218229988.1 43616821.41 1281895450 438274224.2 534344647.7 413076670.2 408158849.7 182187830.1 247147721.7 404232097.2 476559055.7 1005597299 1039746633 597614815.1 111071623.9 52457961.22 184691440.3 114935247.6 281527260.7 535781344.8 252821768.3 339688503.6 120066937.9 93532457.38 91835108.24 76387559.13 81834661.78 157266588.1 102760043.8 105083313.1 91132747.08 107228029.3 67572678.36 28737140.7 72670673.32 45979778.6 90061723.44 81716469.98 199902285.1 27554963.35 68467011.13 51920670.23 86806772.15 107201849.1 1001576225 100585166.5 347169378.6 135804105.2 178992589.9 248652750 245779089 174350572.5 104621183.9 287889531.8 283102960.6 353061266.5 174788810 166887337.3 166750418.9 81225306.8 23523006.91 128509208.7 87602273.93
2-Phenylcyclopropanamine 3303652.89 3984227.538 32512243.25 13027307.61 3923434.269 4195428.438 2820441.28 4402366.225 3133039.491 2636318.565 5811012.348 3719330.223 1660808.776 1352959.352 2912971.786 1886308.512 4321331.635 4534923.585 1785286.291 1132592.124 1220526.802 5778559.164 1982444.434 2869143.982 1304626.353 4136316.971 2766131.296 4861646.828 3602982.786 3367784.863 5384721.324 6625786.319 7614587.571 3086420.437 2719523.949 5333375.583 3678088.844 3186363.197 9354803.492 7012862.03 4290115.491 1615052.517 1537763.579 1202903.053 1323682.847 1100205.302 1547614.195 1126982.592 1754748.096 1124338.053 2442867.422 2719535.796 1739949.129 7012127.29 2787060.898 2614525.92 3195559.706 4097505.045 8155858.178 1777998.061 2995979.876 6062849.138 6843650.988 5491090.67 6609854.867 3062962.82 5784291.21 5165522.567 9923541.261 5989019.773 1779798.696 4213247.205 10537116.16 4153927.804 4915073.898 10722549.94 5885513.334 4338112.639 2622587.097 536823.2347 439409.9224 389449.192
2-Pipecoline 447465.4927 4976193.49 2157292.402 2473950.667 1697847.154 4060040.166 35920342.69 36342472.89 45204145.76 24149560.3 159383550.5 15829792.49 29854606.4 9506204.948 33598190.79 14607707.07 34180767.23 20799396.66 24657203.33 18141938.5 47531057.96 8399455.764 16559748.12 23507798.78 16279297.23 17764490.55 15332855.53 21872118.85 17188655.79 8980586.831 12841343.29 4143099.301 24186336.61 31303801.38 32542914.53 29021895.03 29634585.03 14611651.58 4083936.519 27680140.47 27267659.41 30932420.17 36237198.74 29712099.9 34386216.29 37453984.32 38705714.23 35552380.81 32123278.75 30794741.99 29423560.16 23918714.87 113024971.4 19936085.26 27601068.04 20740017.86 29460133.31 67672677.74 21238266.15 13848887.19 87879654.55 25437922.73 5681941.808 5547839.964 11865072.89 17173408.87 29692273.33 8659656.885 13082296.35 35572326.16 2723515.126 12977878.91 84506869.41 28940368.44 12472016.94 9540022.667 17164826.93 16633686.39 30455127.58 1210907.11 1251798.181 3825539.307
2-Piperazinecarboxylic acid 1101018.005 560407.4398 865530.8719 1512033.498 1457067.981 1820100.261 367321.3312 236537.9982 1311967.43 281720.7292 381894.9758 952431.3775 967336.3279 1780438.391 1617279.379 3876558.958 2664945.415 473047.9631 420598.8268 2065743.99 647472.8059 1588399.88 464400.2424 576695.9345 513614.602 747729.1414 459429.8703 706238.9245 503401.8347 839453.2052 233527.8767 155798.807 662997.5234 721678.9545 512439.0848 3427811.596 1190895.567 1129125.717 2890720.31 766003.3813 1228401.201 499201.8928 468758.5125 1233021.891 480157.3733 428217.6296 1010991.938 629129.836 577990.8096 767004.3542 979030.2953 221000.5537 424763.8957 656954.6939 469513.9349 2319930.031 1125607.868 1715389.534 1313362.118 3488226.037 1673708.108 851990.5421 1128993.926 204852.7118 4342132.434 284607.3163 225894.496 2156144.275 3232304.29 1602031.085 1562373.573 2281388.18 205924.2043 741233.0776 75726.44094 870524.6617 183255.5307 1136171.058 675962.4199 495432.463 44089.81944 50459.05579
2S-Amino-tridecanoic acid 4938793.801 7625354.494 4148461.998 6156683.631 6647182.292 2466673.044 2130322.121 1671009.848 2807414.388 3587496.015 4668295.215 759829.3375 1742238.712 1911072.938 4108966.026 1337003.314 2019501.514 3339011.521 2710331.639 6205794.176 3075000.393 2860997.148 1838638.274 1844027.05 1243924.478 1491962.404 1000253.633 2487125.549 1063092.483 2998303.97 5581170.755 3230843.08 2622087.492 4021283.286 8345831.509 6132253.575 3789822.184 3233893.273 5360123.805 1714789.971 1112751.528 1638595.115 2563518.843 1506106.761 1349845.335 1273994.21 1533455.676 2695570.25 1733022.454 1524352.277 3843844.319 3040004.704 2994086.158 3657714.976 4480786.166 2033361.512 4510231.136 4498951.132 4127914.411 4171100.681 3893588.351 8656744.482 3970062.015 3087355.368 5419546.538 3080882.441 3826076.6 5755142.749 21969251.19 7200482.348 8245197.838 4271069.326 12213526.49 3931978.526 6206053.652 6226017.176 8588842.902 4336989.791 2951095.782 656477.9397 303575.1806 246917.3207
3-(1-Piperazinyl)benzisothiazole 118304475.2 46755285.84 145375376.3 19965549.07 70697354.76 12472673.03 5818038.199 19536386.18 64485817.61 48577123.77 41843244.47 7397678.687 25918345.47 46233943.09 31848630.25 15378723.7 38459964.88 72791807.51 34180251.12 2991479.52 6134048.096 54621438.6 91257206.85 91234272.88 9741406.439 33428735.2 15234723.71 13260854.56 13096750.8 45609292.25 48749436.5 44701148.78 15437947.25 88289054.37 77058917.22 66383908.71 134844418.5 22024172.94 63858986.44 72582383.22 32642279.06 57027454.35 78460099.26 58128181.07 103403366.8 35301851.48 46259820.29 44362318.53 19458808.14 32988373.48 15724841.26 9377858.942 26557121.12 10347409.56 33322332.37 19821376.61 40007519.83 8574382.852 8986395.718 30102947.44 51909670.94 6955529.359 17190874.03 30853361.37 22119886.09 56125001.78 18544479.07 21471280.58 35647491.97 40026052.56 50274088.4 48631139.75 40754206.39 20303612.09 40318763.51 29234260.88 24542821.05 38956854.28 33555256.85 103077.1542 66482.465 38692.52303
3-(3,4,5-trimethoxyphenyl)propanoic acid 88891648.57 79322004.65 101580002.5 195439293.5 131917076.2 204403795.3 39549391.59 49306438.83 29848477.61 23796611.09 60657786.93 81515736.46 14684936.78 14908362.87 31442340.45 13095440.22 16102783.77 19074923.71 21287908.6 10477203.74 17637587.71 70059662.43 50209353.34 66919520.31 59232109.3 101532921 40204231.95 90133503.02 103509046.1 98680230.22 119544379.2 95253330.47 150458086.6 194402783 180210653.7 76412468.46 55211159.86 43661015.73 103879814 38830861.95 44108616.86 23085296.96 29674792.39 20321125.87 18128097.27 40929590.77 20722013.29 20460477.06 21249164.84 21100207.95 41535282.81 18211095.27 28755359.8 41008611.07 13860330.84 25823585.94 22791136.43 23908542.05 28590492.7 23577354.59 26788562.57 27207334.78 30057155.51 149569302.5 70467545.37 77850124.53 35124688.53 63788136.98 73326755.36 37306582.51 70277635.84 25361144.01 46334023.64 13817356.66 59920550.25 58842493.75 26933099.45 27007949.17 20638752.72 18305648.68 23069074.97 17089724.54
3-(7'-Hydroxy-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl)-1-(4-methyl-5-oxotetrahydro-2-furanyl)-2-butanyl acetate 7949304.799 9284081.779 10469037.27 1981986.168 2428182.486 2474010.423 2527651.018 3090407.912 2720361.387 2960672.204 1516524 337923.1132 4125601.661 2229307.957 2502492.126 614223.136 1573455.275 1940234.965 2176479.243 18707582.44 8959248.814 13467778.15 806806.05 10815126.21 2966855.045 2084072.852 755919.0485 1656656.142 3021511.396 2306954.082 12149357.03 699749.3908 9619028.552 2559086.516 10824999.18 9385667.037 12748392.07 10698905.91 7740702.333 1692217.704 588188.7851 2459814.195 2274123.441 2165264.507 2528253.015 534314.3253 3660483.572 2204829.321 1733474.394 1715050.226 1746819.175 2543452.814 841934.4134 1941845.811 2113239.053 2565099.603 1935302.077 13198518.87 1465578.35 2803119.256 1319164.559 11743636.74 1479958.521 4216871.483 2088944.268 11698420.35 5958016.94 6855615.802 4534244.448 15627160.91 13021622.83 4322779.631 8946748.348 12671970.3 8939936.669 610387.9462 15222279.86 1994339.807 2456450.631 27674.71882 1201247.453 615949.4056
3-(Isothiocyanatomethyl)-1H-indole 1339391.888 2566110.793 5287826.661 7253851.608 4100957.543 4423374.637 13887245.84 28190402.89 19350080.76 2916420.963 10164099.61 895719.2528 9436508.009 11253494.27 6736553.215 29209426.44 7957197.869 5905109.36 10540018.43 14845137.29 671668.2664 13688026.19 4942338.803 4498106.943 844460.5166 4069630.293 2373967.025 5351231.779 6336928.229 15151915.83 11898754.98 5592372.621 10389653.94 22400175.03 9111184.544 7290064.144 8596697.796 6821548.426 13360023.78 2189470.134 27564402.55 8836391.993 8352327.665 6516669.999 20996953.03 10087843.91 2814885.561 4369758.413 4677405.487 2992057.027 4216399.89 5541792.453 6643908.291 12896216.63 14469100.9 6086523.152 5010556.299 3356955.35 15954914.68 3136327.644 32273412.17 4335119.247 11621251.07 9939821.026 8017547.909 8193791.677 3194028.369 63109301.69 13981013.06 31665249.16 7528910.47 11551094.59 24638763.81 39771936.16 18027471.21 12181394.28 5211938.793 7709697.776 7234185.426 20878.9102 6387.42804 8028.831745
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one 1367651.892 1632432.127 798077.9842 105994.0726 823329.1757 6019721.371 3934422.654 3028965.113 3628347.809 2952828.503 3137412.299 2532600.014 3078667.568 2088902.595 4747129.979 6348728.908 4116616.051 2372994.732 1771300.951 6559392.097 2887105.649 2855951.227 2929413.026 3293227.654 2528687.642 4084462.089 4618591.758 6305102.374 3003687.941 3207518.285 505534.915 4531145.319 3871224.437 3068594.979 1372279.864 4149768.83 1865547.41 1346478.602 4051912.113 4466507.937 11636944.4 3446066.044 3704234.428 3731391.037 3887293.131 29766604.7 3396757.833 3809823.68 3521691.506 3730898.612 4531187.325 3186093.037 1503378.068 6027788.367 2599192.303 12814721.64 5788054.545 6001584.247 2488083.312 3600530.627 2748900.793 1883658.754 1062416.714 5994613.804 2073870.667 2836684.612 2381905.036 4039350.323 2275724.025 2080206.07 1482261.039 778214.2401 34096398.33 3660993.507 873667.3147 1508667.454 672487.5643 1186179.418 5579903.972 365648.4065 958098.3859 4397884.063
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 150939669.7 121366122.9 413257959.4 157522875.7 118804654 89490745.72 33147748.94 28827996.67 26426747.39 37260604.46 51204173.1 26763631.21 11168604.79 27807288.27 50256930.54 61706323.94 27068923.62 42373000.87 50906948.24 177714167 25877687.9 249672928.6 59635900.58 56913513.65 78353051.2 139394366.3 81115316 66062095.72 77309133.28 120513643.7 141703510.6 141886888.4 132277118.6 160882827.5 254142796.1 126179055.2 97507920.65 111890855.7 241842133.6 52302004.43 51123975.95 31748135.86 25196567.6 47185300.23 34866459.12 24093315.07 49944349.35 26178918.02 27806806.59 22197366.77 38090082.9 23403600.71 15909720.9 83399357.26 30949794.11 28503970.05 32388305.9 59676603.09 74552677.19 32311682.71 65991109.89 48443756.21 100223839.4 124375533.7 52695305.02 90890761.07 34448111.93 94526705.35 41817154.04 106331681.6 39343431.34 49588536.98 28180119.48 94788908.97 43411386.74 56447817.46 54235447.11 37532212.89 13944616.94 14400195.25 18666130.5 19503670.81
3-[(6-Oxodecanoyl)oxy]-4-(trimethylammonio)butanoate 5354529.985 3670682.704 1791206.385 2769766.607 8089991.327 1279713.024 11923974.85 6333473.847 58334009.02 8659601.763 14731872.86 13558934.27 6160525.232 33693306.35 23435718.3 11198868.17 25583775.89 10133255.96 10390379.79 7392049.272 20393158.45 1989769.773 8420246.205 2969845.664 1674334.074 11924238.12 2471382.032 1741725.997 5594940.398 8523126.204 21019488.23 18429286.63 24124219.84 20576521.06 7318061.212 21622973.16 56129275.56 12733785.42 28301051.15 35722540.95 5372031.877 13019837.74 16492742.02 17049245 11633062.47 5334439.416 9280196.467 8014991.246 10491841.96 67428316.09 4772530.817 9888311.723 4889874.492 869509.8142 11716496.73 19726195.35 30092200.64 3267639.492 2704910.294 7658666.339 6138434.259 7972799.69 5015351.019 49938308.2 8136227.013 9912241.048 9323184.738 11892500.34 41755100.33 21896473.69 36456440.19 23783737.18 65044453.23 24164809.48 56589033.25 40401196.05 18490748.69 60665192.84 19470686.23 94667.74467 12925.6777 7659.977857
3-Amino-3-(4-hydroxyphenyl)propanoate 4577.394845 6176.487018 3004.988727 5398.801749 4729.528103 11366.64205 44210.53871 12084.02551 45436.81136 20091.46555 9626.329839 149350.5948 146254.7073 123212.353 63115.66997 143071.1895 62385.21206 26851.85527 50259.02439 6741.675006 238482.8422 6846.51566 111531.337 11194.62987 14366.36792 4320.324866 18727.49771 6922.667754 17997.53565 95942.07319 5795.636282 3191.177341 3587.659527 109602.3647 6053.73295 38140.76739 8653.881223 532137.6603 6260.532873 147265.7869 27121.06916 75056.67636 685875.1473 211309.2098 393227.4225 279070.3516 1122659.316 205052.3168 82065.12946 62096.73991 71479.73919 38780.85185 1167640.127 7514.325351 235598.427 195546.2709 53753.16618 14335.39403 13643.15608 32260.8356 50943.73153 188954.7677 7864.857206 7390.852541 43253.61843 46150.42851 100729.2103 5943.812894 5795.756769 8228.368458 36541.26585 38094.4619 72157.99968 5467.577031 42580.32416 22410.6642 177338.3259 21487.28545 65591.61452 1823.224054 3088.426692 1744.596418
3-Amino-5,7-dimethyl-1-adamantanol 3168484.684 1427238.193 2833607.894 5005828.256 4014295.985 5482876.929 1211365.6 2457079.877 1907043.272 2250805.7 1579170.09 878716.9148 1266130.015 1007623.528 2066947.281 1302387.904 2110325.042 1528200.284 1619223.508 1185656.55 1586658.763 3815534.702 1678117.716 1429417.189 882729.6507 1007289.397 1316118.664 1026916.934 1036146.689 1827429.077 1357746.993 1109460.406 4321737.823 1329349.034 1077469.733 1816924.504 1322263.503 730412.4195 1432602.148 1447342.884 1845898.511 1107095.742 593405.493 509283.4145 947925.0977 666850.5337 472541.8951 1242141.319 1125780.571 545196.5142 635966.9107 1569181.183 2364956.959 3070345.195 3407549.637 3044033.701 4889720.99 1993297.782 2532922.862 3638997.059 3149107.918 2329524.07 5896049.9 1910081.609 3638232.684 1281289.306 1728256.039 4163558.458 6766302.499 2099820.662 4386688.957 7070990.58 4269303.509 3596928.415 3061085.345 2333054.574 2322799.952 3085095.75 1925915.083 432508.587 108083.0268 141957.3912
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid 4126.963828 7256.287453 3530.33398 10534.95153 6580.414724 18511.32903 39607.43691 23073.06142 19077.84428 57115.34834 21109.88179 228418.2472 63207.99574 123563.2263 69139.88163 132765.0214 94525.43171 109641.9489 130844.7768 6334.307487 173139.1234 5770.044918 175127.9937 31466.59768 96674.70664 4863.247408 42812.75255 8366.058347 30529.87538 6548.394379 8000.442586 3749.072901 3536.132501 29403.29639 5223.512616 6794.729631 10166.79053 196948.6008 7165.776857 18428.00068 46443.52147 93377.9251 255401.3655 128533.2323 164542.1333 433009.7625 639750.0613 603011.8294 155543.3387 35123.65596 19324.80505 65763.21994 439724.5452 22434.72286 84184.11032 87530.594 30945.1878 13902.94792 22985.18988 19204.45618 11455.04878 78310.87412 7268.035334 9166.02075 137975.0697 4245.577697 104839.0455 6845.93046 6808.996279 4599.707302 27990.60139 6485.860032 27160.60404 8580.110158 76254.4467 5364.101933 81398.08533 25243.78654 31505.63579 2141.968046 3539.292324 2049.594383
3-Dehydroxycarnitine 496966450.9 785104079.3 1046015259 1001400599 666245104.3 714798731.2 204919814.6 341598954.3 366575209.6 314981525.3 340195196.2 588011699.3 179905234.2 184873047.6 262540218.3 198274380.8 254124917.6 267813039.7 235451471.2 608361821.8 149495979.3 1025252901 534912438.4 835466053.8 463907013.3 420374379.7 375571920.6 357770466.8 379758820.1 458881185.9 767357081 775296491.9 924926093 530305578.6 360467008.4 558437035.3 435731781.3 377380505.3 703322297.7 279468261.7 346851117.8 137026116.1 133110659.3 108718275.4 135783732.4 159311169.9 136340028.8 146153032.2 147694487.8 166747253.2 233853927.5 233625636 250712408.5 497894502.7 241983571.5 244880490 317280926.5 411530234.9 207064095.4 356879085.3 259243946.3 441227416.6 733732523.6 1210138440 760745608.4 789094139.4 315140673.9 672703442.6 816961550.9 656019361.2 429375931.1 473348121.8 550294464.3 709221768.4 562076476.6 457695672.5 397691596.2 572745227.7 344702520.4 66506582.73 166341489.4 109769376.6
3-Epihydroxy-2'-deoxymugineicacid 137487983.5 30853766.99 214529210.1 79041542.81 64069183.8 114083461.9 26234752.2 55429748.93 151877584.9 23487334.69 43063716.33 30336459.86 35061875.84 4685200.468 21401405.09 23630831.57 30994230.62 23525117.31 19517896.6 104317002.4 19773997.26 93990987.41 101295914 76323316.41 34728409.28 63083957.32 35992197.54 53953102.51 28198294.14 97540374.66 138427919.7 157860366.1 81830413.98 25221600.51 65628584.59 35340717.46 63174956.43 35619751.61 128726706.4 41830062.44 38366210.9 26086706.5 16954215.55 17925872.59 13208019.03 10834971.15 27165038.54 11589636.43 18170547.65 18578325.63 40037839.33 171269373 145418264.4 239422619.7 52150889.42 46580284.44 44258886.26 42645418.59 44682813.12 66943603.5 194640867 151001385.4 218221524.6 53730242.94 93626472.53 97742484.46 61562690.01 57321882.79 69791217.93 54010753.62 106739296.2 71022919.07 120943756.2 57264631.03 106519747.1 66317639.14 70172905.73 89373815.76 33191397 3321031.842 3955811.728 10408244.32
3-Guanidinopropanoate 1871760.83 1012154.294 3620781.586 1212775.834 957753.223 1924252.915 7386454.508 6461834.611 3748013.428 1101954.978 4673558.465 98544096.21 29180323.29 25139252.6 4854331.024 23370243.22 2738246.858 4069283.737 19334411.2 3113050.28 16733434.75 1668808.315 3845791.94 878587.8474 6497963.767 1106102.13 1888627.403 4353413.034 2338166.695 5410752.679 756391.6031 912783.2629 1536880.615 2668466.522 1567249.818 2431094.705 7011018.536 15452662.63 1540668.129 2851270.609 8758030.664 5323598.26 15931718.6 7992374.943 9794255.79 6752628.725 9733066.69 5938719.484 4900553.126 6426470.558 2978229.206 14809418.07 49196174.12 3425319.039 4468746.049 4108436.553 4851839.645 551765.2993 4345521.033 1377159.512 579498.449 4644817.724 4654488.529 2933253.978 1224037.325 1796531.33 2173986.593 1687719.821 1715615.862 1609498.155 932525.3355 1328720.051 2680770.972 1960652.381 865234.5225 5125991.278 798542.8023 4543416.005 3448437.625 41057.95026 43595.26637 39832.19968
3-Methyl-3-phenylazetidine 383261.2949 1454707.53 517159.1229 1065895.587 1685829.744 2414811.952 931904.7027 279418.7832 449012.6222 487486.7564 438710.837 1073636.186 234572.1691 221589.3704 366639.4123 89247.74795 279293.4141 129506.7905 439053.761 342574.4885 260941.8864 722609.2252 534595.4812 251200.6582 543818.2503 335783.6096 446951.0934 1630819.513 520533.7842 534227.6074 663861.4823 461162.4218 624954.7269 551055.7469 370058.6472 495422.7976 455408.6647 302928.6222 427302.1597 481926.1309 469531.5601 165677.8587 373682.5274 316976.7582 173771.612 229967.4865 242657.4301 280387.3036 352588.8088 696884.5316 132191.5199 218490.9346 477304.7669 594266.3774 365789.0765 245847.4157 427169.8558 257238.4612 636545.7941 491040.8423 1136152.014 822288.7224 453561.9864 773389.852 1600503.139 551065.8448 1081882.709 746068.2667 1617062.647 2063293.725 1052438.461 214980.5229 1287854.506 2304319.12 1833852.566 726130.646 763862.2618 431180.8167 474758.8035 81678.0627 79300.82245 78359.10678
3-Methylbut-2-enal 70194.47932 76586.56188 65423.04437 41210.01847 44457.21357 81760.23977 219711.879 181958.2147 106259.6582 207153.6205 278656.141 183094.5428 1087425.464 230719.5498 245690.957 229732.2845 180965.2425 683697.8448 461581.8043 676666.5289 435338.5645 129086.687 769232.3081 357095.7181 89605.58113 601884.2933 202189.2811 260130.9733 520607.322 104699.9656 146880.0898 226964.432 29358.57397 364661.6276 103005.2968 220150.9586 326629.79 220234.9154 328374.0073 306138.8907 55733.48799 652893.5382 236039.7751 915371.8519 684070.2812 1006844.496 612979.5733 1162695.345 778780.0918 240491.0305 63086.04284 214328.2851 142962.1514 88813.98442 92332.26107 216283.3621 145686.41 182500.9268 315050.2557 116696.2103 133271.3504 403095.313 271870.7782 123235.5746 684102.9463 119031.9033 324685.7788 43152.84585 71435.13311 228404.5288 285792.1437 24244.17159 134926.2623 67878.79034 111563.9501 238846.4592 151263.707 1266591.119 246085.6609 1312.512261 16238.57767 2317.825855
3-Methylcrotonylglycine 123943.9123 63979.35488 2259863.348 597738.4984 252540.8297 1685624.53 72609.08401 867882.4246 434779.3643 203859.7227 231857.4352 40416.1481 382155.679 1038417.81 294280.0366 895087.0719 353982.5359 333287.2873 947608.3546 4267711.315 271037.1284 827554.969 210750.5413 348515.2685 233818.6537 456559.7503 1166917.137 1960717.945 134494.5912 32240.7585 293870.6983 426428.4234 1583724.34 609521.777 222895.1426 297048.0987 376476.0449 359644.1171 864184.8695 67303.97982 736056.7505 474267.771 111764.9425 127263.5292 111434.8478 337174.469 185365.6356 209241.5305 270699.2307 181451.7924 596860.2264 111666.74 313823.6575 498906.8762 685050.855 331694.6073 396496.0284 71313.99951 291788.314 135013.8634 1419479.744 2866112.073 6351198.553 1375716.131 462265.0296 235121.7954 185395.0578 403183.1976 2624244.571 376028.6706 657945.9355 856297.5383 115120.6625 898264.5336 1197785.979 482092.5203 30738.10807 589537.7351 1514237.128 298525.0544 39138.46517 115753.3531
3-Methylcyclopentene 4685967.733 33628629.83 12012426.19 14794376.85 12120649.04 16264433.84 150542491.5 135159199.1 150304300.6 127435793.7 237959284.5 56309608.11 105458296.1 100392990.5 138335294.9 58361793.95 140280910 86471751.31 92292555.2 51476052.17 153136524 55195876.61 69621115.15 82540514.24 57928981.01 96085003.46 76352956.47 87956686.26 78371632.1 52329016.77 32929391.58 88673607.19 33064851.31 98335645.12 107260802.9 112134250.8 126463060.1 61598240.5 38564115.25 99435190.33 111361167.6 125577141.6 1912688090 132526252.2 146443608.7 137324269.1 136506778.6 146260713.7 138440015.6 140175470.3 143254304.8 98785243.04 228962971.6 103482160.6 100304714.4 218968127 178820145.9 173891696.9 80859420.72 109617799.9 142723001.2 120583418.3 40060172.95 41634605.22 52155543.45 68795507.14 126399930.9 29784250.4 37218464.11 32290444.34 44876563.86 33111210.25 284896179 44728464.04 57558833.19 39729706.53 95815190.28 96166752.56 147724363.5 7776583.259 22131863.06 13071127.37
3-Phosphonooxypyruvate 1644307.041 1747314.699 2341339.627 4049955.626 3835258.697 1902279.723 1439308.865 1530898.131 3289761.732 566471.0101 1749107.605 273336.8254 404779.4711 2001346 573533.5642 1418746.897 1557801.309 472168.3126 272710.4228 1731456.348 2479255.782 1639726.421 1966398.184 2316973.813 1829467.747 1642782.578 1396604.47 1007013.358 1371004.551 2332421.648 3982761.051 4148657.993 2876880.903 944319.8716 950871.8422 2068825.492 3232051.304 1539808.708 2831227.162 1110658.649 927214.1226 877118.2227 1661451.183 1742006.056 1160080.328 850832.4197 1872596.95 1441477.202 1082946.671 2351465.195 1593045.531 1446826.469 1769296.749 1336634.25 1543035.264 372845.1007 3328969.033 1285665.82 785262.6732 1007465.742 2318821.359 1464145.118 1563711.527 1165592.832 2779737.8 2187927.098 3211357.946 2811143.707 1455757.327 2572103.32 3084857.737 1929948.762 2731713.303 3675305.313 1905606.68 9157450.164 1529366.887 1684647.994 1553146.829 454623.8412 187960.3292 87261.17564
4-(1,2,3-thiadiazol-4-yl)phenyl pivalate 40030543.71 46822225.78 94459558.4 108771143.1 63330509.49 55169549.58 31059716.79 49731757.73 39772529.62 32987554.94 53787533.23 115361987.7 12999511.32 28094657.74 63678765.65 28775914.06 24612121.18 11820387.76 24688627.21 94062229.31 10046476.92 103925582.6 25984088.05 68395035.47 83247243.44 109896247.1 77090046.85 86694947.53 81649769.79 82844869.75 155659426.5 171883021 149503418.6 246221959.6 99517339.7 112041738.8 26138315.88 98061984.53 169301915.1 32106643.83 72622800.41 24921197.1 17656945.81 24410092.06 22793210.05 49097823.33 11110686.06 15445146.82 20150122.43 21774418.72 26195650.41 21459496.08 31483079.84 54236877.8 16564716.03 28790370.56 20725297.21 29077200.43 18480296.59 13808595.55 45264085.35 22819888.7 67206224.1 115528469.6 88678170.89 65302148.93 23357103.57 90807823.63 64767318.93 34754907.21 26185676.33 43895438.87 30387341.11 85355720.89 48314482.45 23535887.88 19806268.36 33721193.47 23464298.38 18714162.23 19549770.03 18149998.27
4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohexanediol 1684716.151 1368408.672 1067361.181 5362885.072 1350042.323 6646632.894 2276124.602 846557.1852 2516015.043 911588.8684 3783397.835 1325926.103 1292920.821 702875.2025 1831169.416 466292.8879 615123.4087 167125.0807 532736.9031 749940.153 375997.1862 783941.4082 449950.2361 1047396.584 501468.4541 1477944.735 3306665.57 5924514.903 1842483.525 1279117.97 3430754.16 2666195.648 1078589.924 2285528.887 525519.3951 4174246.723 1694718.746 1160951.783 788357.2879 1739037.748 1365529.742 778076.2235 1412179.974 855376.8237 421230.1384 364632.9032 293559.5035 6397166.29 517049.4117 5805876.317 2618036.25 459181.6811 1067301.218 1646507.076 557456.1041 633935.4391 1431464.156 4213876.615 7863913.993 520922.2793 2212833.605 949556.1752 770055.5545 820689.4583 457386.4468 643491.344 2430303.916 3592880.807 332532.9206 2289382.536 1029734.639 1326015.941 1202399.149 1134057.652 705787.1482 3680237.245 962409.7316 2412967.682 2363568.675 248591.8523 202457.7474 88600.56066
4-(1-D-Ribitylamino)-5-amino-2_6-dihydroxypyrimidine 792531.3353 1748796.071 579213.1358 9758439.589 882201.5411 5136641.013 477067.2312 1082797.159 410381.6249 73121.88299 72037.98629 68707.23958 245785.383 260751.1856 588290.947 315279.2867 1987507.285 1722828.022 474392.9176 67586.33988 204210.7935 2527459.509 3930328.681 8964862.71 3824707.065 2578761.245 5591990.453 6558436.299 1106134.479 1597758.11 9358848.39 850283.1741 5091187.401 7813819.771 4674690.762 21672427.62 11305489.1 521920.69 1628987.103 2243938.53 2725494.265 3355001.371 1739979.983 1296929.394 582671.8436 376571.2143 384673.3209 582274.203 259550.3882 482362.5432 510849.0707 1291489.944 3007443.126 1541761.7 3085322.721 471869.0623 58687.02136 414514.5642 760152.2679 843558.6069 774482.3904 379611.0162 335643.0799 958694.5768 951450.298 13355024.67 1869789.928 354074.9213 5163039.247 1329714.082 1399416.295 6534322.487 402252.4873 3769683.078 2308169.78 1828122.4 9318952.484 3277118.671 399422.5585 117660.4855 842490.5939 991452.9599
4'-(2-{[3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl]amino}ethoxy)-3'-methoxy-4-biphenylol 7861168.356 2898520.118 1410061.836 1900950.613 1449602.656 4718473.991 1201464.446 1284468.18 577198.7156 882937.1657 1020572.036 804451.8681 3225325.099 449346.7001 988226.7451 238833.3427 832792.249 831410.7781 1189232.863 4712263.697 1407306.231 2008620.211 3948315.042 4422732.495 2230405.796 269268.1967 1431374.284 4234787.986 529246.8098 1471717.04 4952971.317 5351287.409 5905580.767 465220.2945 2059775.159 5903115.052 3893028.433 646065.3111 1737369.607 1762009.8 1233295.124 604073.4993 1608301.928 403525.5359 707159.9538 1397298.363 762352.4823 463666.8561 703090.0424 649071.2469 1297182.215 607632.4218 1095228.709 553464.5335 846621.0748 3564017.7 859175.6076 1096151.312 4895772.201 1790060.583 2294783.202 1361461.996 636725.1805 2460106.445 2021085.915 1207009.748 3729825.427 4790381.644 2531902.042 5520698.608 5555724.689 6332915.391 750935.1507 2444129.867 4400912.675 3727313.859 3526909.096 2662799.084 813578.7817 202100.9911 226046.5275 264640.5297
4-(3,5-Diphenylcyclohexyl)phenol 240468.5322 38716.2997 503790.2514 855496.1559 439740.8789 185154.3578 49600.51361 58055.88979 9036.757121 132641.903 73863.82343 38606.1708 70908.8439 112225.5146 76229.61963 8306.985579 14677.38408 26156.92215 26450.9208 65089.95599 95367.05535 19478.69437 49032.94803 20401.98545 90121.10293 190113.7463 8562.578535 335946.1645 59944.62177 236461.3333 329275.8056 56673.05989 103480.4988 82070.00608 160252.7856 10009.64062 17763.8053 73623.92142 88705.27955 37064.40572 45245.68273 23141.01865 13983.56571 22460.74233 93006.55 21142.61754 67135.28326 97265.30113 78749.10789 13124.69998 18057.48374 43729.36442 27908.97307 38666.48065 87517.2313 32796.7487 183889.8373 48263.24867 201411.9642 63279.15702 10117.34205 48324.8912 203323.8077 172855.4368 20780.53931 16138.4607 112680.9857 5489.772053 505807.3134 97736.56848 206227.9052 97142.31442 143488.6907 165561.7974 16867.86415 30601.07783 264602.7428 21253.03462 82183.18338 27446.98292 15629.99231 14236.60915
4-(beta-Acetylaminoethyl)imidazole 263076.7832 104678.4468 173370.1204 686070.8784 37074.96632 86601.70388 841726.7735 908631.1706 59832.45624 306924.6966 57050.87941 6392.941791 22147.90963 65885.03989 2928.782997 11425.12193 49996.15635 28667.80587 24762.5649 88924.41578 12396.66289 26420.94935 29932.89184 26942.49745 25941.94138 47790.77401 362323.0045 54287.82253 55309.35646 48681.84729 232746.6297 60088.16927 297058.5249 22101.14794 34192.08168 14472.64513 124517.351 189557.264 36166.03669 79513.49217 63694.95962 39966.33833 46811.16236 52595.03071 21078.37513 10861.83784 24276.90747 107465.0078 28727.20442 13799.65805 100632.1207 9908.643219 14127.08417 19335.64538 125375.9897 13688.98287 55892.24805 130811.7003 233954.7656 59588.44824 12586.64898 6831.571253 13480.14228 159059.0543 20039.86392 21323.41721 94528.44267 338270.0547 22269.9857 21092.67594 77254.91799 14376.28802 26982.81227 136882.1385 9952.43948 585647.9605 34487.15877 95727.38146 124126.1082 20956.07914 32183.2788 10296.07076
4-(hydroxylamino)-N,N-dimethylaniline 114165.8719 424325.2277 573971.8394 80765.43537 135129.4384 448667.3357 13476687.2 8905607.105 3283736.72 309210.1489 3803922.467 8671010.803 3769592.373 588457.3951 791539.207 141418.9546 1532008.879 470691.259 522426.0158 544781.1112 570432.3851 2980692.353 729730.1371 540678.971 2737232.151 521887.2669 2138839.921 684982.5101 1881412.232 914102.2343 256069.4432 79561.41031 129525.8324 5087548.862 770767.1702 2060949.56 703372.6577 875436.2994 551601.8193 1320861.426 2799286.541 10384520.14 2318942.625 5390974.343 7030470.747 11323387.1 5240240.6 10890466.12 3509524.548 3261381.591 2616584.945 2155808.473 4952082.796 2342387.329 394356.5734 5828028.148 1204297.743 1217330.561 417673.2076 533264.4284 4533724.312 1157629.396 4168572.005 114443.0576 1502893.567 776727.9556 5048534.685 87456.03333 128484.4831 448233.645 224548.3646 2177117.427 743580.682 326663.7023 1405649.915 1975972.69 352769.6779 990621.1744 3743417.873 8775.006599 43389.77501 35665.94431
4,4'-diapolycopen-4-al 2005601.894 1299727.929 4723012.055 14165148.85 1439503.165 4138218.318 1022991.413 1238420.5 228144.247 2037175.51 588259.1814 2586623.226 1019518.136 286841.2465 1665223.326 298815.3313 12798023.49 977192.0657 716050.9205 6424625.269 5557966.331 1270226.335 3011633.242 3365523.965 352040.3278 438878.2273 645929.2181 280571.9048 215481.6854 321220.1109 6913391.24 11856226.22 1223352.14 2407898.245 2682711.926 1280561.159 3782437.727 4928895.641 4604777.036 2554709.394 464733.2891 1392826.512 597377.4689 836381.5239 1063412.87 479889.1977 499213.5983 696591.3991 854051.6629 824441.7351 4009022.136 244169.3625 184576.3574 2633482.698 273628.9682 4063373.509 478273.0553 276437.4845 766558.1866 524666.1801 13567271.94 8528280.545 1124981.498 2409544.887 7793994.094 2525874.375 2614609.912 4514325.443 14873907.57 3762792.554 663557.9703 2031844.939 467826.2993 5053286.513 817212.6412 1858224.922 2378087.966 141311.1423 665761.0868 10053.53681 13434.39908 6373.085527
4,6-Diamino-5-formamidopyrimidine 13892677.98 7636703.221 11743816.14 3990828.515 2291031.222 7047501.39 62689837.05 49715161.41 51299075.59 49054920.17 49748256.77 55686468.55 50651515.77 60140921.93 13912602.27 51936060.19 57108020.1 63346227.27 61221195.96 5302627.4 60805194.14 8597435.67 84228890.26 8114706.966 8583593.323 10383849.39 12234756.76 87047369.36 26449661.33 21959639.39 487754.1786 1456198.838 1476798.688 75319578.33 11312382.6 18286426.71 67203065.89 15713147.81 5212466.285 66895187.37 45444204.4 25229256.76 109141823.2 98602936.57 113664140.8 123845902.7 138745714.5 148720404.1 46112864.5 48238010.19 16626190.45 13173585.35 8626451.585 3361606.218 36361387.79 43363410.36 56666168.57 6983658.063 22952044.5 20490117.5 4932388.191 94167897.51 9005231.401 16774513.63 7563024.911 29201094.22 5636768.383 12539849.37 6426571.246 8952615.51 13653763.65 6395074.971 5584203.349 4968607.453 14734330.05 721802.4075 2711862.364 4152505.276 51710156.8 60624.98439 59539.41444 21022.13222
4-[(1S)-1-Cyclohexyl-2-(2-piperidinyl)ethyl]cyclohexanol 21282927.89 26300375.65 53913056.73 32268048.81 22795819.11 26677679.65 9631257.815 16417141.44 18976945.02 15749679.92 13010898.51 19947554.72 6852693.358 5255030.943 11880421.94 4219405.65 10305243.62 15366649.91 17908683.94 31353952.02 13519387.14 17912534.67 13781038.92 13573168.82 7500660.678 13376872.56 12956196.06 12427061.7 11646583.2 11253051.39 15008591.04 27146680.49 43198035.48 17314744.94 13877912.03 18021901.66 12019423.91 9635081.607 20946783.9 6826947.42 14118507.12 6199209.325 7440901.575 3326848.949 3720461.433 4771023.613 3157270.158 5170788.65 4893493.992 3119110.943 4871804.206 18628546.11 19910002.98 30927933.13 16491131.26 27981634.16 18853510.59 20872187.96 32867491.1 19791661.93 34274412.44 18789894.56 26253932.78 17802105.17 23214398.79 10869124.27 18111752.95 45582707.09 53021562.5 25492911.53 30832727.46 41829113.39 22904849.53 28218155.63 46489332.04 40852831.86 26375909.28 36854131.24 18104677.74 2855017.837 957595.9892 1272339.34
4-[(2-Hydroxy-4-methylpentanoyl)amino]-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid 1260234.634 246399.8996 1970008.419 1128639.939 304066.406 37672.72495 88764.67216 514814.2153 275944.6099 124864.5765 431024.2427 63853.16195 140119.6679 169053.3226 35731.23191 186098.4052 128704.5035 439367.9085 151755.7275 226673.6389 45848.28905 71476.46376 14032.25591 340508.0582 142096.0793 74519.26218 164325.0552 119021.2649 152248.6931 67417.39418 35444.69168 142289.0398 354808.8488 338729.2054 69182.8644 173325.2051 87390.55579 26233.84158 397294.3665 33140.55029 167982.6261 97489.27598 39193.4955 54043.1427 34706.43766 45078.08831 122147.0772 119436.8243 53823.79061 40229.54863 97962.15354 276459.8113 111753.7014 172677.0519 158032.4196 287502.1051 729016.983 190496.2637 90815.31153 39026.54871 529558.3069 676305.1022 364780.6224 76126.31377 200412.4421 233667.1278 111655.9045 84352.61272 62263.83098 1004868.876 203945.8093 167736.6947 1041552.381 562865.3734 281996.3192 54583.69932 194517.3184 107174.6068 16745.23814 17830.80373 6016.052883 11278.17039
4-Aminopyridine 165004902.6 285252044 366461088.5 305845845.6 306519973.5 197131409.1 593559362.2 988731005.8 851839591.8 438885605 1261227683 1808073937 1202073222 3790857906 743671278.2 1370107593 801491087.5 775004231.9 854965518.6 280381329.4 719881402.2 530656144.4 526777006.3 474161816.2 469889746.9 494710656.9 655679079.9 1009323231 1193563599 255641885.2 155288614 223498017.6 288492207.4 540705912.4 300071041.4 455315429.2 951549474 458286568.5 241866131.5 1337410509 631424311.6 631548499.7 2237304247 516676967.9 2686043360 671167717.3 462490692.9 810216402.6 754395268.1 818402397 902448810.8 461490931.8 389142549.8 495517662.3 446700661.6 476335161.2 1542799053 516006251.6 549891343.4 551466407.1 384662712.6 390448623.4 349423043.6 161028700.5 520810383.8 564839114.6 510141863.8 389960747.5 343620071.7 252891772.7 237664431 292598560.2 303045757.6 214785452 503021461.4 302190099.6 905126582.2 866346180.7 646696002.9 521884570.2 97308495.3 16394925.45
4-Guanidinobutanal 142891.3232 360823.6187 497929.1915 146734.2049 516869.4242 375032.0036 2201956.388 4289975.059 1371677.075 1837157.282 2942480.914 4625367.944 11014798 2932057.089 2665540.53 1150930.357 836389.2429 4064958.398 1909293.699 1802448.364 855784.0822 508749.5266 3917712.129 1439028.866 1118372.455 1558285.444 370278.3783 2704247.233 3960244.098 507612.7181 282740.4767 246973.5102 248211.6976 8303865.355 1182544.381 1319828.159 1736292.645 7048183.271 1459919.419 1226039.69 3175354.362 10852373.98 2819904.753 11952828.24 14290262.36 1281399.188 1943340.117 1220296.275 1418087.705 2391536.556 1649865.535 8349502.866 1821142.668 7334072.375 612721.016 388970.1893 2129722.996 1163767.791 2725875.512 3506524.427 8458739.672 1830355.636 19513733.75 360265.2146 2037432.545 585768.3883 1869212.057 310598.9803 544183.1383 408427.8703 1279850.529 129054.1036 1587826.139 332931.4574 600740.076 1286222.186 1833643.028 890446.1779 6747514.437 20058.21205 975932.55 9044.605758
4-Hydroxy-L-threonine 33908636.03 6346746.77 17928457.49 4705049.36 66084189.39 99467993.95 127646985.7 111621469.4 54121236.34 7833467.403 42330125.18 48351350.36 19887547.3 151936426.4 15596718.53 44231398.56 40120377.44 18641557.67 79058484.8 14898339.29 42654120.09 10184685.99 3105394.887 15203721.13 901073.4528 16594182.47 2912600.782 21482145.94 46328360.59 27456281.38 12289165.22 1901646.963 2594612.628 51852679.53 22638148.17 33778389.61 20609623.74 27509111.1 40699485.88 10588034.62 21829184.71 37632471.98 80191259.47 35430299.72 54596226.04 92626841.08 135368241.8 94117612.15 26401361.06 25145532.85 2584388.79 21088415.95 79989740.25 44421279.33 121742650.7 43354912.8 54401869.24 13441500.51 54594392.82 4172173.64 64467207.54 29885828.87 41373069.93 46702810.16 34255925.01 46798249.8 10625911.91 68089146.25 49399575.8 45659702.32 194099484.7 82546825.21 64067531.86 9834746.542 35035384.11 9965260.245 9570123.359 129044022.1 31780982.24 2770802.165 203719.6412 98090.41989
4-Hydroxymethylphenylhydrazine 2100819.88 2161913.783 1665616.603 1637007.647 2808993.585 3714741.247 4798238.294 3573393.834 11355592.13 12750990.75 3742495.412 5561598.392 2568324.281 3523806.036 4587909.906 4665991.048 4037967.181 2832117.599 3383269.93 3745151.142 3796749.745 2566402.818 5056776.043 2871934.919 2992062.645 7493999.949 3908788.954 3139587.322 6448363.261 2248097.962 1350485.633 4075499.966 1253630.387 4971416.998 2920233.465 6164853.768 5698093.778 2874105.703 2600461.587 5207369.855 3235614.405 16586914.22 4532831.366 3435731.844 7852223.508 4199282.343 4191248.251 6146956.89 4152282.595 5512025.651 3580105.728 12226937.16 4120306.077 2848360.265 2698961.446 6103752.205 4536695.259 4291494.56 6792967.794 5752997.863 3408869.598 4218219.084 3607221.819 1957412.47 6447121.059 2145545.243 5353299.888 1230340.845 2805727.121 5722784.534 2870971.898 3009066.718 4356333.983 2271599.103 4390478.542 2312825.042 2035988.035 2564154.648 12860519.23 300838.7541 1624277.414 176695.8073
4-Imidazolemethanol 11263144.34 15085717.29 8801023.948 6405159.233 18693497.54 17659945.17 305773147.1 143663078.9 208653974.6 19924910.7 44388571.08 204700120.3 250464006.1 419473557.5 327746212.4 1192176383 274070167 3003866089 288655226.1 14634699.21 277551004.6 30333034.94 80123658.94 20255555.13 65799116.1 28855914.47 922805739.7 24333781.09 33385656.5 8968588.123 11339808.87 11023135.26 19079847.27 171571807.6 20383314.03 36313520.82 42496323.87 20031523.45 16622671.53 224533208.9 160390743.5 215577639.2 217743752.8 203700123.3 218303938.7 184729085.4 209150948.7 202999042.9 1756763797 227891412 227188472.8 136643634.7 171926801.8 14212785.34 179256769.3 175516000.9 213842224.7 56292274.98 266899194.6 213745077.9 19457527.49 30008688.58 15899243.76 9803233.76 10177072.36 49308237.06 17899350.27 15707866.93 17773207.16 20443782.56 27157981.87 25350019.95 15492414.62 26968514.58 21289437.76 11697669.3 16384090.48 24766087.65 373324568.9 154418813.4 2483436.297 3092024.461
4-Methoxyaniline 3187962.177 3855769.214 2624038.546 4801830.496 8660674.852 3881259.433 3816533.078 2217222.99 3362778.511 3876894.335 5487606.97 1543368.255 2575312.71 2916979.54 3672368.524 1546804.772 4570985.813 1760654.939 3428340.524 4014389.729 1867569.821 4583044.323 2246268.699 2027812.403 1592061.192 3355488.107 3044700.619 3903096.531 3179592.116 4750636.091 3085028.762 2740447.365 3159192.878 2640395.213 4457639.507 5515547.163 7310115.266 3745073.658 3729058.031 2931711.931 1723498.844 1226377.656 3387218.375 4148811.565 1641322.206 2154130.657 1805280.506 2020087.465 2664869.537 3758520.653 2139381.706 1001121.538 3230487.269 2521422.645 1849355.922 1503306.845 3194567.326 2759394.251 6350494.159 7526464.576 6924280.931 7045748.454 4662321.122 5082328.892 5639965.795 3290191.424 3995613.253 4758075.484 7896121.256 7137206.261 2136426.057 4853759.007 3511673.096 1390386.355 2658455.73 5223514.24 1542506.617 1931110.225 2876833.824 935062.3943 840870.6078 366852.2726
4-Methyl-2-propyloxazole 192352.4543 121707.8162 17565.84942 89546.75342 20328.18144 26466.87473 10881.95647 29259.38042 35981.94003 18527.21499 6690.13634 1393.08929 9815.626189 15301.94605 119819.0436 10445.20903 1704.826722 23906.49241 16497.01297 14222.98447 5319.673357 18068.45177 10148.05574 6116.745725 17584.83855 17657.32651 12444.86927 35002.93913 4609.393747 5320.661351 82146.32936 75451.18546 9376.558497 54690.86696 123987.508 14180.2553 10893.66448 8874.642526 4348.71136 22960.83066 49503.76714 62615.04141 6689.536119 15102.75901 14244.02368 19369.39942 28564.3605 10101.69062 89242.95751 6355.200217 7086.821879 12600.52851 7506.717541 170244.0368 19975.91148 6642.688487 52216.62001 15318.27194 41934.65381 4044.130929 48107.12726 87701.89953 17892.20585 15071.30432 34013.65103 42775.74795 99124.26265 66705.42864 16512.40376 72906.22161 6562.973275 85638.22416 23300.41749 14788.70393 19841.71261 24643.60363 1964.923823 3254.617927 16865.30864 10347.21058 867.8488752 5150.15039
4-Nitroaniline 13082752.1 6319429.257 7569475.748 12309922.09 5936784.009 4795088.862 13444314.45 10063557.37 15858806.5 3402938.913 8569543.864 9361411.821 7658294.515 16397674.4 11758670.29 23823450.65 20771768.68 9439359.753 5548893.728 3243464.014 7770027.101 2716898.496 11600133.63 4690277.987 4731811.69 12854852.32 8826395.279 8968926.493 4987328.16 6703295.886 10812294.22 10086132.09 15735728.61 8576403.371 2304054.779 7294303.501 4097695.943 6906376.733 6958644.094 12550192.34 3386204.535 10237339.08 20760235.09 9915888.348 14974675.95 13159963.86 7416689.686 13460765.37 15909529.11 22611481.56 10138467.5 26014216.01 6038734.909 5538057.589 21034892.71 13423785.39 19107097.99 3539348.967 1909554.568 8845382.282 3564941.438 4006338.099 2998196.165 8275258.733 6143308.054 3910732.56 5184969.287 6078103.777 11002451.57 2330153.255 28677635.68 13883393.21 10576179.31 6668190.283 24975429.98 6001630.793 6552320.417 29686886.72 15806207.77 231884.9055 32588.0196 46118.17792
4-Trimethylammoniobutanal 2600472.096 2410625.247 2680714.675 4826280.518 3315751.769 3660342.534 3663402.47 2122277.899 1912853.565 3272952.239 1248447.3 3464241.375 2214283.018 2189283.801 1941754.582 1505519.131 2313608.419 2425452.915 3084646.246 4521974.763 1483907.173 5308859.348 1092897.942 1823598.326 759991.1686 2170068.897 1558558.331 2595386.39 1748957.53 1646134.871 2934066.22 2719624.131 3042257.541 2571427.056 4559361.973 1941054.673 2454920.588 1937423.903 2581054.907 1682213.714 2071328.84 6457985.746 1215082.804 2111580.405 1188936.849 3174192.172 1565597.266 1654562.379 2773290.279 7031603.866 9271348.509 1531225.521 1682676.167 2347484.561 1382099.159 1376868.535 3001553.533 5256066.566 2760090.832 3221114.713 2922964.791 2608031.091 2515787.19 3294991.734 3498734.744 2604176.832 1893801.644 3073348.124 3911700.301 2488307.709 3342981.069 1603899.171 1602714.378 1777587.728 1772010.88 3439212.709 4186161.276 3251884.415 1501601.373 1124957.808 449939.1627 345681.3842
4-Vinylpyridine 14098618.71 8967437.26 16270361.45 22734943.6 33325604.97 15139634.64 5789124.36 12882934.17 7191423.251 8234897.389 15942790.68 8439541.774 3811811.718 3756822.947 8754972.22 3719165.256 8075191.518 7542759.896 8221211.532 13127274.71 6470344.522 13596371.12 23702764.41 12850166.26 13650977.28 7000231.189 8916185.766 8740652.777 14767832.22 13934426.48 16309972.66 15177826.66 22619234.74 11902132.41 7806321.104 10102953.13 42300668.33 9048652.18 23090900.91 14409721.99 10340261.91 4831722.707 4339019.596 3281933.456 5092852.013 5232188.467 4376104.037 2934332.778 5801014.607 4482734.788 3044020.95 4075538.017 6544588.984 9466207.352 4176752.722 5249702.399 4375979.49 12711749.36 4281055.542 9201199.032 9438237.326 9204808.299 6908790.01 16614531.1 13421961.82 15315590.66 10523729.19 9662078.916 30049698.79 26714569.04 13127888.66 13891377.71 13789277.29 15869428.01 10597826.79 24581026.52 11445718.74 13397497.2 4840015.874 754531.1963 1820313.411 1231232.211
5,5',6,6'-Tetrahydro-3',6'-epoxy-beta,beta-carotene-3,5,5',6-tetrol 3346938.941 7224617.418 28992034.8 32488785.12 21260379.32 9470670.6 20007761.41 29955122.31 17237285.31 37743357.8 19349766.05 25389413.39 22711992.92 21582500.42 33741129.9 24787695.71 29756437.55 16989518.02 15863351.42 20739603.48 16946132.24 12034329.65 13151051.84 14241843.87 11996154.51 19267000.89 28432352.5 14243143.71 14661755.97 18007190.93 41419621.03 25386769.36 70695453.57 33002488.76 16057647.49 27391414.85 51278636.12 47470599.96 36145618.71 19473252.24 61073173.65 14181191.31 27164206.88 28888013.82 25002569.39 51241704.78 17334374.14 12557389.34 238730274.9 47940403.53 40649847.48 10617678.67 22584148.76 9812425.526 35285261.75 8022476.69 14782180.05 33428605.62 30315365.86 33263902.25 14091389.36 20288602.39 16620470.05 41172947.93 21726160.18 38156896.85 10423652.64 30940865.89 18610374.52 33653836.78 24210553.43 26463472.91 21633218.57 33510224.68 46427112.75 20518117.88 9951867.324 9612800.517 22775463.32 6256695.754 3396170.684 3299471.775
5,6-Dichloro-1,3-cyclohexadiene 130803.4145 405340.2166 362518.0585 213744.2251 195105.9303 8293122.978 144799.8667 165821.8357 1483050.818 286864.8451 582886.1864 605902.9934 1374595.252 711898.6913 328083.8654 392967.0071 500725.3704 416374.2203 617957.2353 699263.286 117828.369 2395159.002 62495.76072 239660.9186 306200.3147 958358.6606 683183.1918 229362.06 310050.4689 152514.9505 1909655.949 156443.361 475741.554 225606.3924 495977.7921 154725.2966 180332.5006 428640.9249 1138962.395 29689.3826 1566877.485 115395.2447 79599.40783 62920.05065 34857.46623 167575.113 61519.70532 196460.7026 121851.7421 104151.0108 70368.86063 255445.9132 313827.1722 202136.3888 499476.5712 1163214.262 429185.3722 101522.6987 333249.2569 325617.5749 690796.653 148383.1952 2092516.031 904642.7386 682395.4199 1671805.449 150760.8317 5711039.392 2260075.778 1338666.352 801958.9957 3355184.054 1344943.688 2479752.356 1567163.36 3326986.454 418328.7491 478291.205 334231.7872 44037.87618 34210.7311 13423.19012
5-Aminopentanamide 12138144.7 12462047.84 16965015.28 32535199.3 10365466.64 14195533.63 12529243.41 14953542.61 10298481.31 8109217.438 17484281.14 11089564.24 8317346.788 8846047.967 11035925.7 11661186.24 6106569.186 7719947.61 45801672.95 66971443.64 7737805.402 27684025.07 8123969.833 12354021.59 8115156.706 33438275.22 12435755.05 35665760.96 11647122.63 9588536.953 13322741.04 17204041.06 24690237.89 19585041.89 12853275.63 19452913.34 11930666.67 14301431.32 20479490.54 12860685.57 10553498.51 8255859.335 11021353.24 6627453.192 7694709.561 9481459.684 4256087.143 7726930.345 10349788.4 23157994.22 12106085.67 9444811.496 15584073.18 23300164.73 7252040.304 18496992.93 18668753.82 14527546.02 29454249.03 19842220.61 13304663.97 13487911.7 14165474.22 24787164.92 23362112.84 30935447.59 11472442.87 12115830.05 16673362.28 23509487.57 6836621.391 12555300.16 11542188.37 12313133.75 10762757.59 15289434.39 9352090.801 22455136.94 9258526.06 3306876.373 4022020.333 2392276.043
5-Ethyl-4-methyl-2-octylthiazole 6258124.96 998962.7522 2288577.382 2455121.842 1796698.534 8046943.632 3742847.753 1721509.357 3393549.857 1290072.505 4117591.202 2075785.339 2483019.748 793990.4876 4478323.637 496478.1787 1513692.894 1331671.374 436176.5956 2112997.939 1794111.614 3561876.309 2134688.026 1056752.808 1634701.632 4041352.981 3853897.633 6085403.395 678887.263 2070006.827 5719196.244 3825061.679 522451.7861 731278.295 1404947.827 675467.5871 6384163.571 811983.2275 1082152.445 968552.1101 1517854.749 1708031.006 3452457.529 4835634.967 1505699.921 1865431.96 1139037.306 993505.8375 4694167.207 7002458.926 4331527.426 1322516.612 3995060.017 5102540.756 5886469.446 494267.0194 1512237.683 3446391.274 2719158.837 7127644.221 2593499.603 1705184.964 1530149.944 4402894.559 4760772.116 2145781.863 3079154.495 1445765.653 2917387.453 4462388.441 1036750.906 3009251.895 1098463.161 597041.5312 842132.5105 534535.9233 337142.3827 522680.6753 2043784.728 424060.253 401451.595 379077.9498
5-Methoxybenzimidazole 486032.8185 1177164.786 1388273.303 633475.6916 445012.2816 929805.2128 307548.3219 74312.33403 762009.1963 311252.4927 434531.8469 335768.5548 148219.3835 57589.08086 71396.0078 84918.48725 779779.7183 255133.9996 258441.0567 264488.4304 225981.8524 190232.3264 390641.5282 594124.9639 220545.1804 136999.6769 295285.5511 70580.85126 49319.20064 693296.3146 118728.7066 626124.3304 178115.33 738749.4111 335105.794 1138539.263 902849.481 197294.6865 604677.1185 350922.8101 71289.45087 110648.9241 92849.47182 128152.3674 95746.73555 49996.91139 127999.8745 91319.24851 63013.43927 33272.17287 84805.99086 309451.9837 1003510.103 513985.1654 254105.6066 256380.8775 482350.3222 1023991.354 88713.71376 353347.391 444634.4753 106568.8332 184390.1751 202180.251 54301.21487 31613.81577 222709.1483 29742.0329 224844.8888 22263.18583 510649.2848 339830.028 86659.49475 532487.155 87987.93195 431635.5969 15902.88338 910149.436 118189.9371 27056.03797 26613.76808 31588.8962
5-Methoxy-N_N-dimethyltryptamine 3104692.107 17582432.22 633865.8611 7470088.943 10662332.17 7340611.331 23450993.1 17087104.76 17485326.42 18387728.09 16941424.89 8299012.265 18586172.98 2400966.688 17817448.82 7321724.926 9779000.45 8531948.682 4216447.799 3254009.684 12724693.81 24694781.13 5428127.98 25252539.87 7193018.929 6106025.244 5832903.985 37374388.34 26945318.12 9396717.256 86620.03186 576067.3474 188596.0758 16864605.69 19834647.53 10804112.69 2152468.089 13621779 6410872.573 13843241.94 12440930.73 20072774.18 71384633.66 70143482.55 77588136.64 21121919.16 23171826.36 24406628.98 17906039.19 17217613.3 7235755.153 28403402.82 10492468.27 24794055.62 29000006.51 22437513.1 23461528.37 5870198.834 5298686.255 7962258.302 14062419.31 19704549.36 20729230.2 1884765.394 22293365.36 3785546.46 35243894.71 2594404.791 2367911.128 1496271.172 9856629.068 6689343.171 4924230.228 5287316.114 16151831.24 728460.0446 1800814.311 8554178.919 2544457.344 4865.550622 53036.9011 12028.85581
5-Methyl-4-pentyl-3,4-dihydro-2H-pyrrole 76497.9333 317613.569 74102.85976 169950.2252 317658.3065 61954.87362 421209.7271 124133.1922 30142.68448 138316.5575 137171.3596 19592.56829 44768.13923 58678.89792 75319.08337 24468.55961 17877.02279 18699.86178 133611.9825 57166.56994 250276.7695 31388.81834 113891.7846 152382.7591 168960.3743 122841.7049 58881.34026 67481.74362 225748.1503 201933.6905 486439.4005 180779.3745 293439.7389 415872.0654 350597.1545 69942.67636 152934.6751 69934.19449 127763.8353 201827.9048 96089.40979 73947.43854 14693.79365 56446.0038 148850.4307 69428.91106 77281.42359 118803.9404 59281.46227 53409.82818 44769.436 165198.1931 112474.1446 23526.51682 27502.58234 37623.49998 57048.39693 104143.0407 73128.49734 233390.2984 479616.1763 189087.0738 110520.4757 117773.6734 214102.7931 59194.66205 331465.2774 36226.56468 271641.649 220769.6346 30387.19615 44499.66025 24368.0797 32757.97779 67079.57144 172168.7594 241088.9578 40606.5705 150571.8967 14771.99629 11516.85796 16448.36244
5-Undecyl-1,2-dihydro-3H-pyrrol-3-one 225932.3905 590185.3772 447315.9674 1244561.974 493147.7154 137119.3826 707241.2689 436194.0825 423499.1303 306257.5951 689987.3701 197739.9917 1370684.17 608017.8907 472283.1232 247377.5297 286719.6063 93509.79748 184981.884 483058.7905 273216.3498 278437.4648 174013.8195 410959.2043 139658.0352 148054.5779 416393.8837 188263.3302 345473.0097 508307.648 949611.0962 865551.8038 226399.3494 86535.91414 1588983.754 266041.77 273428.4269 151895.5652 137509.43 175367.2866 235743.0532 262355.3961 348675.0711 275151.178 324227.7608 182358.6804 335914.515 282252.8793 480054.8849 211328.9245 213612.074 446269.4558 384821.9743 449773.3717 202921.2351 254786.5085 783764.7394 627446.9187 722952.6356 115959.6956 602749.1494 555418.7519 163925.3499 194835.6753 841917.8116 184584.6472 473295.258 1177932.403 64165.9483 180650.0172 1268566.63 594164.4592 130940.1827 1155051.005 200574.7502 621204.6382 1072832.737 308215.827 187771.7248 163980.721 57484.88803 51413.67236
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine 54525.75433 37636.36307 14370.79985 343302.5983 70103.24591 95772.98721 78651.48119 90709.7443 162367.1634 170881.5668 120945.8666 53445.69895 129116.2942 183630.3535 71849.1488 41671.62963 67934.46356 198541.7435 83999.92628 14378.17638 85303.15018 108570.6471 33399.57765 46772.53413 56720.32782 69844.36329 16918.22793 177555.0989 141406.1079 63407.98741 93719.59952 178195.7065 27117.10471 40724.39086 60964.09543 95237.17662 38824.8963 23149.8676 62022.41065 88095.80206 58207.28089 17581.83846 86910.28997 69515.06246 15447.60239 28842.80054 14352.80998 34343.26027 43021.99134 44883.63451 59176.59407 114801.384 41279.08071 67787.95437 41610.15811 277560.6854 120290.5054 203433.6083 200441.4619 205648.6381 238233.8798 216279.2549 59959.4897 163702.576 124249.7697 22306.43964 29260.94292 58993.00822 45416.28444 47622.01676 93375.8206 108372.5585 131108.8929 99435.90593 66446.74748 206752.6855 35298.61234 47221.97705 35832.16498 20333.44562 11454.54225 5733.621086
6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyridinecarbonitrile 4817189.865 7946169.785 3381307.61 4069166.357 2627483.013 6269862.127 96283061.1 49452941.18 44429527.4 99368621.32 47993397.87 230228710.3 167626842.4 247873374 68849503.08 80542504.5 40046252.86 40623517.52 88541876.16 19526935.5 85496145.3 12568056.47 51978614.83 17276554.53 50681556.42 19912940.86 36258592.08 22340603.79 15678201.99 19281251 21338978.58 14487179.92 16902878.15 29987506.5 19008733.33 19109741.36 24778532.67 105293628.6 9895330.503 39908032.83 30994932.85 162115239.3 128065686 170315763.6 177576803.7 51774331.76 121514877.9 161314720.8 113574012.2 139393863.3 83987979.07 74220278.54 156194837.1 23938726.6 181126902.4 53865412.27 35389144.46 48896787.05 85793286.76 94456715.15 17632592.51 42762972.45 26781099.58 8250802.064 30507016.36 6347752.219 33457120.03 9603771.95 9565078.615 11075765.49 17716686.71 14354050.52 51889533.45 9321440.743 28491967.43 29409376.58 182796799.6 45220191.83 65939044.81 22784084.65 30677234.43 11544091.99
6'-Apo-y-caroten-6'-al 2841121.833 6683560.396 8246646.827 7425480.882 11788108.64 5006128.726 6168487.392 4811435.13 5924122.884 9672913.348 12293226.06 6829170.529 11862501.16 26354995.29 9069916.332 4695803.739 8108096.855 23308170.92 9293783.535 19492362.9 4073039.36 6055642.817 3696021.825 7392320.518 9204538.39 17645101.9 4610822.207 6988627.617 1957053.342 8372339.63 9235711.395 9812619.959 5012903.232 11289680.56 7858529.367 8755043.053 13513559.18 7831951.702 14588996.91 35355186.58 25198945.7 7598926.273 6330433.103 9931081.942 37573023.08 5707701.454 5011044.077 30817889.19 7159086.215 5616947.391 4764363.182 5207437.382 4915608.655 12015501.58 12594756.51 8086452.776 15013782.99 3157242.362 9459434.062 24401181.29 6766948.141 12473916.25 3197579.384 6718897.004 6460959.034 8252184.61 11634421.34 5353839.128 11334777.45 13894799.35 16611298.99 9555296.313 59039890.12 9546137.648 13520462.74 14669593.57 10588636.02 16099713.97 12354808.56 2671851.156 987874.2705 6117177.412
6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine 6206208.703 18866656.38 18637253.39 26434355.7 29725295.44 50386335.12 15211755.36 34680640.11 18495441.11 58509215.84 26923500.43 51111672.96 31648780.89 59711040.13 22775942.5 36605742.82 37557883.06 26435104.04 44557282.65 81220255.84 24542896.48 35350274.15 28106135.81 26150920.5 13113475.33 27275545.51 47802745.03 30576389.15 22046383.57 12383542.52 38615298.54 48590965.88 61053038.85 73978899.75 31034843.81 55190315.88 37542688.86 43868293.31 74919294.3 7712214.872 106468769.1 38412458.6 26064099.83 15911647.51 32815534.7 50093366.24 24695591.59 27810509.02 15015413.73 18681736.97 34040828.82 15066575.35 43866590.96 30143145.06 23616886.37 12252801.32 11745227.95 5222772.488 17363917.7 6284763.482 104994889.4 25649173.75 190187608.2 94393097.16 29415241.72 26368786.38 13427792.03 106429626.5 78004926.96 78225287.13 63132560.13 96410613.64 23487286.82 74362159.1 71004071.83 32721876.26 18997980.15 39353876.68 21345102.66 104268.0193 27353.68097 46333.19782
6-Methylnicotinamide 98326342.12 62393651.42 26501457.55 103334643.9 197021129.1 30331228.83 86206721.79 92541653.15 189191600.8 278604957.1 104364822.6 75526697.85 370398414 154021030.2 43166584.21 202799105.8 396853120.2 158973664.4 67108302.06 72611217.47 157195709.3 74103222.9 74638013.44 32093089.53 45295330.13 40674510.93 100358879.9 45395371.09 64334268.76 26571747.25 202304381.6 391145671.7 54141084.79 238015854.2 86714557.85 83315857.76 208001930.3 75532571.15 121495169.7 121672719.3 236387753.3 150450750.2 83371785.84 113074221.2 136800683.8 68726241.67 90158655.55 93724597.62 121576111.6 184457034.8 111611011.1 26794724.81 62089560.11 57131939.51 62210342.72 36347820.23 66790893.4 55873930.69 38923860.38 313014608.7 47930066.65 23869385 148758380.1 49421482.97 140647554.5 117608828.2 105381640.3 169551047 558778406.6 45454794.1 54536183.97 185120210.9 61978744.75 94336073.4 31282637.18 100069933.9 99477265.1 243443394.4 112513695.1 10511151.3 445863.4979 153234.2163
6-methyltetrahydropterin 177533609.5 267480470.9 255709957.5 91083641.86 115609005.1 176289083.2 397251022.4 462171369.2 288726658 276322124.8 264295997.6 254524030.6 316421661.6 381232963.7 324013309.6 198923932.9 398403882.6 302704873.9 307672060.6 228504568.6 290171248.2 474961797.3 354671611.1 214558838.9 264153996.4 160818458.6 173814901.1 227482971 328070862 337730819.1 37299743.1 18495446.9 21658950.3 354172693.4 414372659.6 379389613.2 441515263.8 520215097.4 112773304.3 365453913.7 182955098.4 286733712.7 716964304 555684419.4 783646967.3 648233191 478029510.6 509630429.3 239385272.6 212538056.9 146792626.9 320887304 215421946.6 119396705.9 215498424.3 344198777.6 217267001.3 48906221.44 144060820.4 305136950.1 109169455.6 270316860.6 64439147.34 207179523.5 43581647.36 632146010.7 157434158.2 54444535.79 159756195.7 61751036.98 102942166.9 65078471.74 98294544.21 140488404.5 134810726.6 101707939 72562479.18 37898340.37 438094319.6 321761.9756 1019302.124 170149.5805
7-(1-Ethoxyethoxy)-4,10-dimethyl-3,5,9,11-tetraoxatridecane 1248250.552 906442.9334 1252629.883 1183401.947 1686773.499 5415597.879 2438731.752 804051.4807 613457.8166 1126852.548 1005409.506 1486312.201 1500267.667 401335.1332 2251760.499 293325.491 1163581.551 1733733.288 795400.9073 679388.7469 562007.7854 695010.3826 1328201.979 907264.4343 2335182.187 373118.3036 476671.3496 328482.3054 527168.4865 1291623.727 1540298.434 1636188.232 1969170.487 1356150.047 1639720.225 595205.1887 750643.6587 479474.8689 1229635.07 2856455.618 623775.6398 442788.881 1544766.324 673833.7486 337414.6135 405736.1479 373913.0007 366842.0959 342916.7499 914858.9824 2223146.799 263910.968 327147.4516 337518.9094 581233.8309 1428878.944 501302.8872 4062713.926 796132.6496 534880.206 797711.8119 163578.6182 378620.936 1646843.334 1827307.444 578075.681 969433.0165 589264.735 587687.3279 1352273.781 220865.7331 511870.2797 1298920.232 2093609.391 1638149.017 740007.5934 429782.6165 387207.2718 446189.9075 244780.8609 243253.8609 122166.2696
7_8-Diaminononanoate 115732.4543 1007984.1 137687.7446 139091.4529 889476.0323 32489.89093 168319.4929 38688.29675 107542.7549 57786.69436 172678.3239 11441.0821 12248.10011 28357.3848 41010.2245 23391.95 42422.56594 49051.51095 130843.8775 21107.40078 81167.72928 950212.3881 262099.9827 579362.1861 164856.8715 353691.7073 305082.4545 273032.0651 206041.1181 99738.29312 453092.8725 156973.2251 16755.37055 81221.72555 239474.1233 55457.16792 860377.9414 136587.5104 56653.48599 121812.9702 84807.70746 29756.39215 654607.2584 192601.2916 89311.62014 262809.1138 63919.72906 116979.0671 160372.2328 69986.31492 61516.06549 70813.65457 106405.6616 225794.1526 123313.067 36336.25937 174176.4593 84828.13145 236013.7478 309531.5947 189364.0091 138215.2514 114329.7547 816091.7512 137112.9894 294156.6354 165525.0851 142328.6145 41542.95543 282274.8022 371657.1767 17885.91882 46809.16545 11725.77181 80995.93713 115321.0114 43380.29652 68944.15547 97548.12415 17016.54664 45561.42071 66070.2678
7-chloro-2-methyl-3-(tetrahydrofuran-2-ylmethyl)-3,4-dihydroquinazolin-4-one 487097527.1 710927509.2 297945635.2 397143529.9 470018870.2 666034102 610650525.9 927718280.9 429949367.3 564045100.1 415830859.8 393833491.8 533430367.6 583227546 535011727.8 378410676 403487051.1 434255874.5 552310193.2 534552497.1 574765118.6 637056309.7 1023178507 573835419 802674502 486651895.5 1226414538 559559391.7 508260556 381972117.3 721309116.2 452083404.9 712922450.7 1638876080 1374416807 831974928.1 587814242.4 377707217.6 466984889.3 704559214.6 368310761 1010467342 508426716.5 394160654.7 1378184994 736487362.7 396348762.1 784340089.6 470796555 442461765.4 620472818.5 385235544.4 1057156004 277661620.3 410946927.5 514545490.4 231087617.8 451437594.9 812067670.5 533957896.3 245809625.6 386646425.5 312392622.9 572078389.5 267919906.7 744313321.4 257529283 411659162.3 269887622.9 241791346.3 271033109.5 237693152.3 170756342 268405897.1 270037712.5 251438730.6 231802744 172780685.4 427864783.1 163261306.6 99266412.63 101233783.7
8-methylthiooctanaldoxime 85101.17022 157582.6146 406753.5913 92369.3906 138778.6908 474140.2785 20697.60538 28319.52687 14159.52178 84991.69661 50173.67312 194923.7906 139484.1521 183066.8813 16942.97481 107201.7117 258223.4433 102841.2255 26122.18275 54835.7143 78040.55454 46993.39016 63256.14824 383520.8328 6249653.982 9507173.957 41902801.95 505525.1014 146914.7322 42566.94518 78169.39856 413321.8062 249944.7809 136425.6492 37426.29291 62322.3633 79518.70667 83649.54413 291849.7545 133120.2633 85712.2305 194258.335 123788.7527 82007.76143 48639.68996 129057.3861 33355.68735 57248.79292 61440.33258 77046.69229 180567.7878 362605.3745 18823.18261 85486.48211 377495.3499 150473.9104 15615.72661 29199.86295 37952.87602 13331.84047 243172.5937 62532.92942 199344.0177 423666.852 460825.9038 132760.7142 721780.8299 530234.9462 36891.90914 24260.74705 96813.33717 78802.84497 90589.46465 139461.2545 253080.3535 44416.35275 190786.0606 156001.1983 128525.4018 18683.83936 9674.663677 4958.385687
9,19-Cyclolanost-24-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate 690764.3895 2199832.711 975039.0604 1655313.537 4092867.627 3026812.384 1665134.539 6262310.155 2589762.46 4179807.403 1762796.455 4242052.769 2582960.252 4594082.555 4406184.428 3186260.09 2513380.358 3179573.065 1494243.019 4189671.315 982256.2402 2108030.101 1429614.921 1368631.189 18690147.23 69824131.25 44271814.54 2864261.56 5100167.779 2281760.341 5638127.52 2435447.895 3318266.062 3640761.671 1281895.292 1064308.231 2309552.531 966893.5509 2739314.579 870863.5907 5676504.129 1263179.912 1963288.607 1540178.729 1804281.07 3350679.549 1310957.486 1069296.266 712565.2979 2372506.316 1177499.324 1063880.558 2263542.736 623063.8871 2672738.05 849164.6282 1931921.694 2296367.752 1671567.607 1979726.121 2734794.203 993082.2742 1956103.676 8446008.609 3483589.806 11159936.27 1354327.867 15033302.05 5067379.637 4077233.516 3491110.891 11957621.66 4505098.409 4190570.091 3555866.098 2649941.846 3578983.91 4258340.74 3456955.968 138426.9302 287282.9624 102069.376
9-Decenoylcarnitine 75873.08581 3633711.153 38654.4865 2832832.985 506727.7568 178802.4416 137828.2491 179137.108 140979.5765 268632.6543 955133.8062 762882.9469 446577.9485 107970.3846 1281160.708 312994.5412 250028.4839 152191.9514 909852.6159 733515.6122 264488.3813 162848.762 72020.31238 184090.0299 156097.3911 160511.6709 82534.35967 181510.9997 130543.4402 102946.0295 317298.6953 213607.4792 497905.5562 221631.0537 98227.50337 238082.0626 322079.6941 107093.6603 441726.7963 550222.2875 124735.1576 104751.1125 1380887.08 1121717.887 1368508.381 330583.3733 768285.75 508096.1125 466157.8407 926336.6859 70289.89603 213725.2752 78911.88582 96000.05698 96708.06924 95648.62772 83052.73813 91113.88276 82122.20365 59907.68341 291428.7139 529933.6591 22163.28194 315256.8791 129711.9569 299049.6497 234002.5708 704826.6932 65827.222 163747.681 117144.2517 32655.0982 67518.48829 1241328.436 78662.59806 130707.0203 103986.6937 120818.5707 942173.5415 23618.52016 10122.15164 9182.985803
Acetoneoxime 4117.543021 2362140.687 100003.8114 37533.02841 30908.99067 406499.6876 21358868.22 6280713.803 8729802.072 12089459.19 3773512.669 39890056.08 18901923.04 30422713.54 15821921.94 4646209.041 89410581.67 6082108.612 31387109.02 1258446.894 19695589.9 1806911.481 5492655.403 2121283.706 3958911.947 992424.0193 2548603.592 1695812.424 1906667.548 3723909.907 509564.8519 826117.6074 327529.7154 4568462.798 1616041.523 2873443.855 12528202.91 226885103.4 78636.60347 8616731.544 13564008.45 18866685.86 18887481.17 21522569.32 19650150.79 115469455 17487255.1 53396387.31 16239631.88 7832076.246 15753752.41 13571856.78 29511615.55 2757469.787 31760804.43 31244481.99 6224574.006 4290227.961 14163044.9 6701581.873 5747399.982 13045357.7 4556201.141 98882.67177 4750334.539 2192403.16 8164521.34 762297.9624 60985.12314 3710848.909 994367.413 1480608.004 1790232.106 654290.9291 9435200.451 2772574.408 22765462.37 11473946.8 10717987.01 86133.88733 1585484.364 32919.29967
Acetylcadaverine 432301.5727 864768.587 1475540.419 2875665.281 2540784.459 1389160.269 1454595.303 965783.7637 1292930.663 306633.7885 566524.1515 139787.8591 463415.585 291015.3201 621060.2073 355905.5996 349568.0481 126210.7962 413880.5228 62966.61231 973796.7823 900348.1922 1347242.175 1738249.61 848097.261 925476.2491 1610470.997 4093332.516 1163994.879 1009430.909 3521025.291 1598808.27 4098032.648 2519958.036 1120668.579 466483.7561 191738.3578 285690.9921 352751.3957 1037845.261 407565.2779 727823.6288 1232489.924 619886.2977 418710.4148 790621.5048 517422.0886 446621.1954 614050.9817 716820.0039 456955.3021 1073556.877 268646.6086 879161.653 554090.7489 1233064.514 1196213.381 618991.7065 505832.8951 868624.5693 637381.7792 528176.6316 505771.3606 4040333.702 1264729.776 257074.381 1339499.085 689849.623 901972.1079 591311.916 967793.9032 562184.2312 118116.0986 1089910.94 482941.6924 4528205.736 591756.9504 455754.816 894508.9052 191767.2226 155421.974 129138.6115
Acetyl-L-carnitine 14297.07333 19542.40913 28819.39996 35396.54085 7299.15158 33767.39109 445703.8181 225986.508 32982.27287 33460.5826 22096.81794 381433.8173 346751.5887 985049.3711 133092.9239 484117.965 14200.01986 47033.34857 386344.3007 11764.39345 352096.3505 25789.04503 323005.176 115574.493 140451.2257 6000.396138 109229.9956 9111.155371 71762.84604 25748.70232 9434.664673 5137.664828 6485.693339 71934.51461 32476.87552 21526.00949 17461.97309 3614132.416 12746.82531 141822.2074 361394.0158 463899.8819 2597525 1448750.721 1332509.399 1953160.28 1151753.882 1531460.258 598330.2699 752582.8328 306686.4485 908998.0534 1493915.778 17884.47797 242319.9177 120783.3025 464374.5793 8447.083906 193871.7665 19641.0131 13420.7092 173971.667 23828.16105 22506.11288 42098.47858 9172.42322 20053.45344 10203.39153 9211.018796 5758.103623 5906.616335 16627.85838 8507.076178 10956.73379 15585.38291 6541.651896 18660.83226 75077.88262 77543.47479 3062.223406 4883.101093 2363.24248
Acmimycin 1712.572907 2157.294167 1765.579046 3372.323808 2540.499885 9469.442077 97767.63112 52614.59754 13936.04427 52867.32022 13247.67291 162006.7244 77906.88876 25113.44428 37929.68867 16363.61088 16805.81906 43506.11454 67934.16718 2712.045058 36161.50014 10223.2097 52174.50952 11456.34786 24604.1622 1933.779217 20836.41838 6167.305939 26064.51116 14710.37139 3284.259268 1768.67257 1913.176061 14930.07962 2138.140427 2622.496554 3102.393806 42033.51793 3460.157026 6603.182351 19729.4546 36079.96877 38721.51705 105103.5823 60420.44471 108836.5525 52964.91721 631639.9521 30931.55415 48600.20247 14746.09612 44200.60453 7278.04903 14728.09601 17576.50945 59796.30621 592142.0007 2470.051254 6016.774817 6082.636744 1614.433424 9058.354518 8245.565436 8188.144879 9466.621402 8658.490787 131453.6838 2903.871246 2779.909347 2132.411109 1767.711704 3618.753033 178331.37 4816.319981 4462.174188 2096.901345 4081.32038 13829.32476 4116.850812 2717.845778 8477.588777 783.2113128
Adenine 197982225.3 55848192.61 150281741.2 69203417.02 81668811.77 170031549 281970198.6 129709552.3 139872351.2 151051287.8 131336100.6 288242588.9 104770117.3 210693601.3 208598011.2 151199870.2 249046551.3 365437551 178406993.3 67830130.75 203033362.7 54306104.09 59235445.53 41155944.21 27616758.24 22527602.18 18940958.37 89588056.85 106141652.7 96477534.39 25685758.98 12665688.79 13981460.12 68941011.04 110404537.8 77050317.32 85539328 103104090.4 49516166.99 82563412.87 39173606.81 74039792.58 153698046.9 125137214.7 178592277.3 314937013.8 315181778.4 425454256.4 112762012 68088565.85 30748273.09 244449847.1 256813699.8 179147732.3 163355949.7 116557313 536486718.3 54603803.14 143319317.7 118276017.6 171601286.7 146849725 112682988.7 106957924.6 103968966 85244142.18 93209974.1 192439231.2 145959808.9 76134776.21 533843196 231874943.4 341488486.6 130788919 111762529.1 73263788.55 292510530.9 260306026.3 254618473.3 7934250.215 1724275.923 240715.8453
afegostat 16863498.24 10401019.45 17530687.87 20193297.83 25410603.28 34097268.1 22246623.64 24808328.54 22054283.97 15740389.66 17753893.09 18873213.61 31219635.06 43009289.96 40825985.33 73540550.44 27200444.49 14944646.56 13595763.61 12992062.67 20435128.31 7404784.053 16456001.67 11918123.22 6343372.025 13524637.22 13108137.22 9881453.507 10419164.92 14305309.39 13382608 15911172.47 15248739.98 20140359.18 12565795.5 32452222.61 33751029.44 16941450.58 19558641.32 27541446.16 15856460.41 27657834.89 18643589.27 43701562.85 57020084.38 53708054.78 22766126.62 43589416.31 38826832.26 42695114.49 32516736.3 18330369.64 34079124.09 28805220.29 18365477.84 14201056.15 40057415.91 24892780.64 17552949.02 23671371.81 19814766.14 17804217.72 21165670.9 15956560.69 11741527.54 15322909.71 13491887.81 16089001.33 46280328.27 14341724.09 26785731.18 40026289.85 15472997.1 25079477.95 18035151.49 25278573.74 22500110.38 25177937.61 16325439.91 12009724.85 2163654.042 3098509.525
AL9450000 9998813.475 19751210.09 29392457.51 21295798.89 20933296.31 20220523.09 23979434.08 23131105.99 18624218.99 18089405.81 48890044.53 30162697.77 39458508 8578032.449 26125280.44 9621467.559 15546595.71 19796989.27 34727675.26 28739527.95 22972803.6 67408721.08 19651082.25 21130607.91 12043767.2 17923864.76 19400928.6 21977113.7 16730013.48 20928554.73 15144011.4 26957451.2 18233774.89 26780959.5 16955412.1 30951667.24 22832220.86 20076164.17 19070509.55 22058640.03 14321969.5 23924671.21 31169865.02 33440642.77 36261517.76 32833923.6 24834040.66 33924556.59 51896058.87 26260588.22 25974434.07 33068933.9 14983278.73 26793547.11 27466692.68 29003516.21 23833924.82 25667539.5 43363835.06 31390618.24 19966393.26 33303568.11 22411371.48 23453301.16 28960058.08 18351274.3 24863971.35 10905137.46 19742685.04 24455907.61 15657140.95 15101455.54 19940880.1 11734027.04 14232456.41 24954408.06 13815010.7 24382730.36 29398571.3 3268478.578 5965549.45 2325561.97
Ala-Pro(Alanyl-Proline) 9906.582111 7863.859181 3166.701721 9543.359674 4064.204638 16782.71315 238126.6058 1899429.141 155858.7521 158469.839 242850.8534 227458.0754 308893.3648 337209.9101 243376.5451 329435.8595 164019.5408 482434.9581 256196.4957 108593.3431 107188.3986 62300.66194 166834.1042 47137.34804 120792.3817 35045.97743 81444.50696 135435.4563 50995.29857 72239.42918 14806.34566 6014.438882 24260.33676 203879.9034 177281.1275 753266.3683 245217.6513 503240.5177 5992.763764 268996.8683 253307.4455 345273.1897 2298530.067 439773.1196 322320.2214 294899.7995 1066987.27 414365.2863 339015.23 223593.9096 423832.33 412429.9907 214816.981 108562.9773 413756.3231 375134.726 136492.171 428497.107 337595.4044 378640.4528 141286.3226 399784.7817 98765.0706 5723.012989 273170.6573 35906.23765 232559.6498 5220.097539 3729.916474 13714.9145 117320.5529 58858.71218 49452.10313 63912.37679 263385.0964 142221.2258 196109.2253 162103.3296 427692.8524 1356.265437 47492.17584 7458.819279
Alfentanil 3150079.294 641330.0648 4609994.224 4321891.7 2681112.87 445927.7125 117008.5859 1100151.944 321262.6227 2474395.625 731700.6904 1246085.076 1482106.66 117162.7152 531290.3824 148955.7488 818631.439 1421675.112 227338.0287 687222.5084 1851365.762 1679681.058 1611826.236 2166842.748 519278.6647 341868.5399 517662.1465 868175.2125 65089.62684 2395368.756 1686482.748 1344329.134 1136025.408 4838138.797 2851963.041 1551512.646 2837259.816 819364.645 975376.3321 221512.0998 9846028.696 629114.528 538555.8483 442995.9128 476866.0882 216033.153 217489.7862 84395.54363 359913.7127 379227.0248 1381464.543 155925.1161 1490469.957 537821.177 786126.5956 1244145.974 305906.0572 330186.1726 334081.8307 179927.1049 2518687.134 457190.9499 286052.2369 3402237.821 1600185.495 2308225.816 687389.6785 1786208.268 283701.1698 5942954.854 2213900.334 2701676.047 1114446.595 1518792.389 679890.3533 157274.333 1315966.016 4224651.863 396229.453 27136.065 5287.176092 6847.720253
Alimemazine 111423.4385 39852.81145 6215.446008 652526.8317 28475.66441 36071.07125 55624.11802 20961.48679 119270.0805 290496.9641 43681.46079 96884.66621 1416505.849 95503.36463 67990.44742 80463.5504 97464.94158 7460.164179 48443.11046 275775.7049 1174525.442 139159.2267 7028.166591 188480.9998 10300.8375 8094.40902 64568.02919 7451.107714 8041.038032 194789.2631 354488.695 225552.2522 9622.66901 82845.01397 50080.06523 13009.46686 117009.5624 166665.0262 207622.6595 136933.4182 646806.763 63576.87403 49064.26321 60777.19705 95835.59505 27943.40115 66801.93447 86005.78446 46100.6667 31889.8399 187582.2945 67749.89798 9162.093958 15998.32211 52990.09192 109243.9949 49836.44475 14909.69275 13945.10011 22795.62044 21318.66587 4578.499062 28820.36475 158184.4448 126989.0002 107195.6991 59425.03843 106248.5 166053.3149 457752.558 213739.0968 375944.464 6687.045854 8915.947438 31187.72829 66533.29397 371247.8319 10897.65172 17823.65721 13848.92468 1322.835339 1441.441502
allopurinol 295448597.3 342763561.8 343005555.3 103699648.2 89620268.49 289476355.6 661989086.1 428863020 435805191.4 544316214.8 444309048.8 871949272.7 830831333.9 670905706.7 599978247.8 826723913 850372001.5 227648452.5 665591226.4 328563600.7 1345365241 400255752.8 653218477.8 434141195.9 285375912.8 256187782 182472944.8 744888324.9 326587986.9 232762931.5 28234664.88 18601452.7 15270595.17 984549712.5 688172232.8 386843571.3 533318433 1442938569 217010142.2 401719669.9 459557124.4 962115093.1 908049462.1 1035842850 1245574337 1385204558 1473480536 1835641222 536260345.6 532533681.3 232982903.5 1085104422 785813199.1 180827627.6 393967177.9 536881935.2 575263258.9 95149057.6 350309268.1 232372233.6 371512325.9 854002203 171366351.6 177639883 142021687.2 547836115.9 313634761.2 131846694.3 175681479.4 98004534.85 163642521.1 64136211.14 266952071.4 107434056.2 249598250.7 84391983.3 103561049.9 156915234.1 548069455.5 233433.0507 8700464.788 159389.9823
Amide C18 10650591.21 11065159.23 8741524.568 19031098 12555602.49 6407477.025 6823929.941 12494265.03 4965408.059 8111939.96 11912290.05 1727942.164 2561507.061 2901502.494 2997594.611 1984806.303 8370548.728 4209296.996 12020085.22 6798767.178 8896223.691 6732370.887 3604384.008 5302760.758 1885966.197 4152415.845 4698746.353 3293530.179 1986564.056 4352185.664 4525667.34 8065848.461 11535158.97 5426106.828 9530770.201 7127202.684 4703548.343 4597220.191 7467789.355 4535806.174 2532159.35 1603286.265 3720684.359 2438359.332 2259978.843 1711672.108 1607985.396 4153516.853 3964978.394 3084448.264 6590088.172 7114277.251 7253086.984 8014261.472 7461111.453 3101827.423 9367941.086 5512016.801 12110858.11 12105895.2 11371691.88 8608436.664 14485805.09 7129740.482 8821117.268 3855986.986 17069665.49 7709644.682 20143739.79 12476422.23 14098467.73 9021720.704 12230907.8 11495748.68 7320104.522 17269350.93 7028403.443 6792778.266 7747788.256 1457068.344 431916.3296 516095.5923
Amide C22 34757476.79 19053708.38 20248340.08 37773595.02 28612428.69 20447108.61 10838610.11 13075980.99 21649094.08 14578771.9 19831146.6 10785915.68 6426693.794 4503465.312 10014787.54 6401349.262 15078269.94 14154412.52 8066188.521 19360462.43 11948990.24 15326583.18 11045905.61 16528721.85 6619574.115 8332542.596 11787069.97 11533362.4 10369180.85 16328987.39 14655661.84 22349489.15 20302296.15 15003840.99 18031209.32 20819288.7 18118274.73 10741954.47 32002818.55 15656409.76 13822161.23 7955517.576 8642076.539 7395808.103 6271314.721 6369573.907 7446145.122 6123988.509 5932448.703 5203148.4 10001078.94 8553781.911 11610089 21095441.37 15482939.03 15262018.74 20235512.95 19758196.62 10421504.8 18549965.77 15876513.62 15213073.75 11253606.68 14435467.5 24416219.68 13655179.11 22759285.96 37257437.99 43659855.94 35117948.82 29628802.84 41950308.34 28152228.97 29768661.54 28313573.3 36838650.35 16298196.32 19765586.92 11857019.05 2525664.467 1000907.646 1299798.636
Amidrine 69204529.62 199537312 141257090.8 127377162.3 78321619.73 227053386.9 849864283.7 571697415.4 1409057171 891752878.2 624138062.8 448588811.4 793458634.3 880122937.4 1029370349 584787030.9 855393327.3 631597275.9 904752913.6 643929822.8 675985855.7 357713576.2 265883145.4 263862064.9 6620300682 5357172058 5127251907 430741467.7 394131761.2 252063669.5 208659119.6 243412927.5 174862762.5 603184368.5 585479942.4 656695348.8 498073848.8 463708025.8 274139297.4 765965429 448962699.9 1336328056 600567401.6 578753427.7 1021282742 499327947.1 982613042.6 737720459.3 628086685.5 910391207.9 1157885793 792662154.6 385201038.3 483196064.4 725663686.4 488490613.8 1092610876 998499303.4 1421749550 1043259850 604740630.1 1058423755 1207397088 221742487.9 529055793.5 357833666.7 1615116405 163268134 238127132.8 263247960.3 240026531.5 173221228.9 593116527.5 191996944.9 792482515.5 409290011.8 789668832.6 1124743884 1169771819 43355851.57 134084629.5 40180204.81
ammodendrine 12708.23892 43620.2641 32823.07191 168517.4677 20062.3421 33578.32863 223558.4817 110818.9607 65511.49537 212656.2093 49376.07741 365548.0553 7611596.041 665764.2831 84402.96046 515205.3297 924787.3521 740523.7615 1465015.882 1470673.507 139726.6604 114406.8223 230811.2007 54226.40955 63450.45284 387238.8262 511324.0035 21598.03762 800095.096 18839.16418 211484.3229 715559.7056 309832.0052 194859.0743 14925.7875 251531.8958 90215.47403 251524.2086 256298.3131 981846.5641 286485.6651 311171.7997 553802.3272 961556.3013 226143.4338 180595.1343 65838.7197 631287.2714 382171.4953 611965.8703 2567369.159 18998.98125 32873.56635 244328.1961 726734.7497 10074.82045 35708.27248 44913.93327 54924.67929 297843.7919 166963.1207 13486.33996 99191.67546 135350.7548 232103.4374 97085.01714 32081.44387 35284.51108 906940.4319 10776.82238 458523.8212 1017910.077 19059.37024 932089.1002 644024.2656 13028.56471 30672.15769 667008.0944 152279.1826 489173.3615 27052.30745 24240.78716
Amorolfine 137802441.8 190783738.9 211243281.3 150851379 132492388.1 86227311.71 114560785.2 118162775.2 129404199.1 90849530.46 135797435.4 62445885.13 42552248.53 74336865.91 83018407.45 85635875.4 86577882.38 75579714.45 132438556.2 275853927 142881425.7 118100276.5 56933020.68 83962846.03 161289857.3 157099796.4 92941809.31 51401238.54 90989103.39 84200959.75 70195730.24 106360935.6 152629314 147056455.5 118110561.1 204977636.5 88771441.66 116114941.6 189992105 84702253.09 128316626.6 122024426 81362041.25 107226034 116707853.3 49214599.1 125871648.8 114395964.1 99329954.57 111715662.4 111376358 70003928.2 111580886.1 174950747 106025983.8 65367656.47 143308674.5 103085958.5 153388849.6 136767514.1 134954833.4 145462058.1 191144022 94220163.35 132896251.8 68052164.64 222272782.7 282962573.6 159011047.1 203045653.9 200376305.9 129988918.4 172369926 165973447.1 151241510.2 171425564.3 107469281.8 159350123.5 105877937 25357947.97 15815580.71 20485789.36
Amphetamine 119228502.4 76888819.87 118406462.8 117993964.2 139623234.7 191725473 29265001.84 25171178.85 20237329.82 28434991.71 25484737.66 24500151.34 30639044.69 25713412.71 25767812.99 17046509.64 53326128.77 56336979.33 35723721.47 22654455.12 14120257.2 79935673.91 54034490.34 81225988.92 42965960.38 67724834.42 82360133.64 135161383.1 46593071.36 78044665.36 104005324.5 140553466.7 232417927.1 29825295.98 23575520.82 29731872.67 23482410.87 20912733.68 79643037.58 39270623.28 67391650.64 11182256.91 55702142.03 44275550.9 16494482.39 20361189.8 13011753.51 75780224.47 48588135.05 21097959.56 25427592.28 17920913.79 22879870.19 23894004.61 20718636.71 17961569.47 16955109.98 13905447.07 50441690.8 25600045.88 25743236.78 12336237.69 30795246.2 225630318.3 38766376.4 61705917.59 38204401.55 31775894.07 42769619.07 34306949.14 29739971.54 58176722.79 40919094.88 63143309.5 38609729.22 57006812.63 16340983.9 33711877.39 22120696.91 6907373.025 11502771.47 9320390.245
Anatabine 6017099.246 7703415.016 3806847.124 6771591.685 17687177.04 3017198.174 5787555.59 4499810.167 4367013.566 1890887.496 2086024.509 1227134.367 4333592.9 5683068.752 9940312.636 767287.3655 6501488.43 3506937.82 5304832.238 4143949.484 3796180.538 12320430.36 1261141.357 7449873.137 16928885.01 9889557.799 4910975.854 13388147.28 6581520.568 1994496.194 20752081.02 6832064.843 7696962.703 4823179.2 11002228.6 1411661.782 10513085.15 1337867.246 2333456.988 3684616.482 3913218.198 4829596.537 7997195.408 3589670.093 2433980.98 2760985.726 3766452.74 4533588.937 1842161.151 2660255.548 5452531.949 5763426.304 3968842.822 20908395.12 1550922.081 4228107.169 4171380.412 2568247.29 4901034.325 4560882.985 7655783.911 5567976.012 4837657.163 9250286.227 7776857.902 2218308.437 8429296.804 2641784.472 2493950.723 7537697.835 18282906.36 6689346.887 3988203.224 3022312.138 3023510.8 4349221.632 3337743.772 2839985.187 4402689.183 700780.4524 474275.1929 368153.7394
Aphylline 1125225.071 539840.1544 181384.8017 117650.3022 93252.43166 2491551.123 570363.0197 159229.3162 203015.5298 364639.2265 99794.30544 2577549.698 1275874.706 996088.4585 260340.8773 1091192.838 334554.9863 398268.0385 756800.2068 1149782.634 445683.2675 152447.4241 125805.5137 74567.89243 59675.95628 143856.2096 2080364.553 45524.476 85181.38591 347673.7958 1126267.353 55260.6392 264899.3894 117217.0026 171048.3715 156438.8889 116654.1632 489702.6217 116982.452 195052.8103 666923.1899 44683.59026 150193.8625 144041.2669 157134.9781 164796.3419 131471.5267 82693.77177 138205.4683 181547.9811 4077538.048 246670.4368 339663.518 126705.5377 42839.57908 52354.52363 288615.6154 1468993.932 1635967.459 2639935.64 118173.0721 33847.35339 536635.9931 938326.4138 877558.9256 241221.4543 53602.92258 101717.7455 865935.9515 734912.8172 280232.4366 143411.0316 464959.7351 806617.8552 786039.2162 25962.92709 160990.8292 47977.08489 3590243.767 554540.8747 87868.6989 105981.4046
APM 11784846.17 14565859.11 6671295.116 11868766.13 15710554.23 19039188.28 16152561.19 10991029.54 18373363.74 7384830.817 17586457.28 17037174.5 129096865.1 28100695.77 16601092.76 39478779.49 12017355.65 13290038.64 9349257.651 47351893.37 12318339.1 15857626.52 10553830.75 6516226.363 14662857.25 22087386.81 9421045.81 11986272.21 7516283.518 14050934.9 27490251.19 32869134.35 17080927.75 13289078.95 7794551.271 13556914.39 4061079.708 22555225.49 20445358.75 12700054.37 11095012.52 20820324.37 16579321.06 21153286.4 10647067.53 19735252.94 15511178.23 69334979.11 12179168.56 8464488.766 94507203.15 7359512.147 8492308.449 20376040.34 21706054.4 10883573.08 16917041.71 21442192.92 18824529.87 28700338.41 7172541.176 6852312.85 25801105.57 38866485.41 37914398.23 22372257.96 8561838.505 21992621.53 77484814.16 30229055.82 22697396.54 21967959.5 25297499.01 39445450.04 27455280.93 19817770.41 6115759.234 13028556.39 10506897.27 8932200.006 2080732.415 1984508.513
ARECOLINE 26481.63816 165974.9686 12869.12194 12400.82571 72591.23863 7484.170149 702260.5997 223853.1397 125246.7584 61585.13657 103856.9108 76115.81306 109725.1326 106730.6163 241935.7611 93454.63634 143837.3169 165657.7915 101001.2213 175825.8342 95825.9804 105121.4325 111640.9491 182913.4936 102673.6369 83179.56038 148411.0943 310654.6788 64276.94886 127831.7018 28948.05392 62845.68847 69580.99375 161604.5071 240502.0564 86948.38657 134986.7974 218819.2946 91100.42155 101543.9355 119247.0396 234560.0411 207031.7513 343185.7215 133293.7813 145009.0946 321030.7255 127502.535 564305.515 284730.0296 180708.5751 305567.7854 65910.46431 92547.80036 114098.2881 187592.1366 142656.1045 213810.5051 164862.6107 184878.7458 84621.81215 103243.8436 101604.4945 22208.29724 267042.4794 118422.6255 355037.3745 9434.436523 52750.87536 23737.71768 120626.8901 253976.5533 184896.1666 21593.18722 145439.6384 545195.7473 189507.0991 184029.5845 144544.5672 1634.069723 74198.57795 26385.62336
arg-asn 190562.7296 980951.7025 774868.6498 38189.39278 711296.9463 3263426.189 576154.8179 1262345.127 228294.0697 161996.7096 259273.8039 929299.8104 97684.18224 206902.5021 293249.2736 99388.68302 93675.8059 218112.3592 414812.0508 231738.0727 225468.9248 551703.0642 128314.3319 515983.9908 154730.3217 388548.2937 161668.4412 70403.48625 553463.655 94873.26587 593148.8399 721904.7199 361531.0653 1641192.457 867130.9498 216242.8496 180533.4394 134630.3031 198074.65 416869.5578 41048.66186 451663.2471 316475.9003 291864.8709 89223.77701 268847.5028 97425.61903 103084.9495 75674.49461 229934.0861 443495.3546 90487.42428 514458.6974 642856.5917 255391.044 742243.6415 319187.268 169960.4337 375921.7763 113021.9366 149558.0335 445300.6708 923921.6836 609497.7925 139381.6837 268352.909 203174.7916 934180.1113 642385.0629 909661.3338 2593228.43 81711.70946 1323523.472 477524.6262 452591.4959 638860.9318 929713.1368 150036.5067 55916.79893 51828.1234 48485.82871 31646.40989
aspergillic acid 162720.9845 642221.9304 469374.5973 112603.911 719520.3767 179048.4663 1153474.488 263289.9509 384744.5896 2388934.089 384941.8575 3455689.496 290210.7195 2492545.189 655264.7407 413602.159 711466.1323 247957.112 778533.4512 2596824.311 380799.0783 674163.864 381419.4604 790372.955 462282.541 1685145.414 437783.1315 325177.3397 567906.2689 1457571.687 1627319.682 708550.4833 1586807.208 609711.2571 403830.0741 792391.0514 575663.4384 424069.6894 1122198.24 260887.858 290232.9465 399600.8524 535694.4619 1059471.33 347002.5573 704960.9557 1523480.452 453025.2016 307445.2268 161327.6969 1148041.138 45055956.1 7867408.672 41690186.95 248634.3668 453965.2295 366399.0558 502941.7811 1225086.7 1440874.749 13985595.2 17379306.69 20856353.45 623245.4286 2531421.259 533936.9232 1839607.425 69106.24759 73979.57259 256004.0542 167245.6342 1022863.855 1070658.733 209038.789 1094605.876 2794045.699 1510678.132 1027045.006 909362.2628 3793.24333 158234.5026 35333.85243
Atagabalin 4232304.938 5543801.208 57165951.48 18479614.83 12480130.86 9991764.94 8296483.706 5827508.884 3006942.532 3908929.468 4196162.561 1705001.794 3816763.736 1179263.953 2021659.352 1828826.341 4260920.838 2605034.156 3072206.104 3147120.864 2324660.997 5887449.339 11900630.84 12885155.77 3196112.277 4246570.131 3676206.939 3233144.737 5875691.288 5021697.751 2243075.298 6061466.878 6625967.102 4581301.123 2934295.929 10509304.71 5773445.019 4524502.567 8350076.409 3982758.747 2909283.435 3989712.37 1539753.337 2168669.156 1760063.279 3879851.81 3797956.402 5829207.676 2397640.641 1701173.367 1192567.068 5711735.642 4221506.562 4953365.814 8672740.285 3409475.367 3750584.187 4301593.943 6299292.396 3241900.924 4803765.862 7350653.891 6940673.419 13214327.63 8842968.358 8931951.481 7221291.217 2842508.761 5972401.158 7003926.339 5987822.183 3575350.05 12751308.34 2561111.327 6116755.385 5459514.325 4723471.538 4883619.977 4004326.996 435375.0777 4249254.785 4078554.873
Atipamezole 6276365.421 5992380.038 4176669.057 3426613.014 4065136.706 4774537.43 12114954.5 3920742.681 5333366.421 18214163.77 7854691.99 6154124.287 9506989.174 5096649.61 8102831.651 6165367.825 20879721.84 12602636.77 4783946.332 1348407.411 4329814.169 11289785.53 14592051.97 12816192.78 7390751.988 2671041.823 10046589.24 5416827.951 4222848.307 12684445.73 24677500.1 15955644.12 13927606.46 11868580.48 17465318.88 12106717.37 39315207.51 8425491.815 35761745.33 9352785.264 36155855.24 8085263.984 6441997.18 9275067.089 5600994.571 13878050.82 7557994.629 5901058.454 3019422.941 9376625.531 4912853.278 343578.6685 7791547.229 1043030.718 12153484.78 6247204.854 4544031.281 681253.8764 979173.1788 943750.5906 5451899.337 5210557.751 4884471.689 6638424.645 7917372.426 14766617.56 4543397.034 13346917.35 10749090.51 8439031.119 10869343.34 18146089.38 4814202.163 7457882.437 4822260.368 3641519.245 5384385.477 15249165.52 543615.4817 119355.699 62455.53768 36072.38451
axitirome 1397042.133 1581245.849 2873480.798 1513518.028 3598926.427 2523597.977 84210.45198 94818.61016 243435.3054 853829.8262 456934.3686 1053175.968 257346.7085 29708.59242 108543.2545 23229.22363 61126.21589 483422.6818 409769.3179 86957.24381 1110451.946 720927.9126 1265129.88 2787496.202 184954.1635 104703.805 460017.2622 163560.3882 86729.43317 302654.9127 154239.0578 1010299.201 93108.69383 984308.2066 270017.107 809142.9338 447979.3044 352646.6147 1295140.095 497558.0263 15885.21005 208560.4802 320601.5521 274146.962 133717.3043 21146.94899 79036.88103 43671.03784 125078.2189 255831.8447 783614.3389 130348.7092 190152.0992 124471.9677 72045.3454 218639.0013 78002.01241 156156.6729 328783.6307 330836.8685 973451.2384 114645.7643 249016.1106 525833.9389 728525.5509 198068.4153 89307.26255 270763.0369 529537.0412 74174.92832 464080.0528 1624120.481 376189.4285 1266760.949 116374.8094 120950.6956 75233.88683 125326.7039 100640.1295 9971.263813 1739.372244 4534.826985
Bamethan 602918.4652 2280961.372 172809.1936 836601.76 129711.3157 6328693.986 2120808.499 601242.3952 1369284.193 2413564.034 308578.3713 1312744.512 256482.5083 139680.3048 853990.1581 1630866.229 577066.8658 1781766.184 1723354.412 659051.147 1328375.276 5336748.754 1178053.025 3990858.568 1016101.142 151425.3343 272052.6199 3641458.511 5592224.975 523895.9492 103123.7417 313780.2689 534971.7408 281650.3497 379451.1953 394379.8006 1123432.113 563080.6719 345264.9361 1904077.215 4674156.415 6550540.775 10199881.66 8046832.683 10854243.11 5396459.782 6077192.958 4616823.176 1155910.535 1990839.468 164617.0497 655109.3851 355203.119 1020429.029 401871.2915 811290.8259 752705.8091 477253.0498 855871.5611 365100.5767 269442.0976 974875.2061 552941.3535 308640.6896 629479.8507 3098388.295 569645.9789 83548.30663 121199.5552 275063.0092 279398.012 528936.8153 567808.4145 106926.757 1322344.849 77420.04748 840733.4819 194398.6614 200565.4804 3443.889683 47865.07297 10472.69074
Benzamidine 289873.7273 1022995.926 2541026.987 2440315.055 2155868.953 916123.8478 322405.4273 6970971.272 351804.0332 398053.5991 525015.4737 173430.4986 686154.0158 5926875.558 12530332.53 277459.2494 612116.1165 941214.2479 1282976.571 745111.9131 4942254.138 8816733.587 1399295.866 2330298.988 1019878.277 3452133 448098.9577 4659678.472 999293.817 1027223.343 1971244.657 793253.1032 532239.9049 5492081.025 4316559.492 321171.959 2226036.01 205276.9565 769175.7385 2690405.63 544439.227 2203868.731 304596.5859 497694.9816 825889.7743 294387.4713 218583.18 4151939.1 419365.9788 250751.122 134873.2535 459957.4515 1334533.464 10775150.84 186966.4454 276814.099 671706.4285 626396.8235 745867.5733 1051035.756 948363.3107 893206.6552 250974.4628 1240487.617 397625.0932 3972690.446 388086.2867 8082074.355 2669175.962 1175527.881 900456.1301 2753288.519 354081.4536 1631252.668 501229.881 3100834.142 1494649.254 448353.223 350809.9018 178124.8805 67728.3727 148545.351
Benzylamine 89026207.97 70063985.98 382140787.7 159286310.2 159408143.8 107290241.2 147059385.7 106073282.5 86520736.69 91988162.44 85897878 104479730.1 66386292.6 88296603.38 105551982.2 94206907.3 57629328.06 67649122.87 102846763 101899898.4 59931059.07 143309457.6 68083575.76 97622445.83 157277544.4 136482116.6 126023515 131213153.6 102241502.6 96163470.97 124918764.7 67062381.35 126745747.6 125461346.6 92225955.35 94368570.41 76960014.91 100854098.4 127004328.8 62380830.04 46123368.01 57189190.38 50341395.53 417806885.7 230514277 89101790.04 145585826.5 199378753.2 84651979.77 58617189.62 120964596.6 77728536.49 82088801.58 101450397.1 94544376.36 69058949.23 199587139.6 117650353.9 124915182.3 41453413.82 84361831.59 125330433.6 79452470.36 122263615.7 78563179.98 61709535.97 84774705.63 122124327.6 157414347.1 88439971.45 190142782.9 117868367 133338730.9 65945793.09 60097261.73 144862345.1 129927423.6 72180781.63 61834153.72 37650372.03 22749994.4 27014099.33
Bethanidine 3854625.293 2545802.022 543784.4906 251477.8729 117158.9302 3683643.861 420548.649 530576.0368 928412.5807 1668146.603 1871218.169 130934.8468 953025.9967 1173303.195 2357413.423 154847.4233 2670157.607 2193219.066 386001.0939 1292345.98 3315881.124 1504886.27 545915.8737 730772.4352 181259.2212 176914.9461 126143.7964 205527.5467 136714.3748 169491.4004 128676.5441 265558.5664 114252.1591 194157.2352 182615.6988 145961.5193 1193554.291 932843.1816 572952.8457 351245.6398 282450.8199 354890.1809 1396904.847 837877.6266 408128.5184 964959.6566 308284.3704 181389.1529 126826.4187 184091.4382 174283.1833 1362269.172 337830.6607 458139.8128 1203998.108 725877.214 1064355.436 541984.9387 573683.8257 164242.606 715870.1093 336068.5768 169075.3215 394156.6476 382442.5531 315580.7681 754358.8812 382039.183 470191.641 120249.5587 235627.4238 571093.7324 923624.4262 303945.4166 460261.801 83564.36696 258635.402 250357.7191 141937.4711 3647.721654 51283.18559 14435.16523
Bis(2-chloroethyl)amine 114670.2253 664908.6152 189926.1768 15066.68097 203535.2928 240206.1493 251299.3477 183317.8808 380728.5314 133944.3774 337337.8531 141416.3535 218512.842 303852.3784 625709.4624 166105.0073 251844.3371 292798.3433 199810.2901 858523.1406 162378.6251 297430.3466 466657.038 1388476.742 242127.5465 573049.6716 116582.069 320107.7739 125830.942 1119421.986 158121.3106 160742.2143 73738.147 328947.9271 179946.7403 310076.3111 320096.4901 237724.3567 614168.4555 453840.7839 83394.50263 461553.6207 391841.6532 352550.4164 568499.4143 1668973.16 1136472.595 333030.874 220854.9752 1237255.884 188515.3066 224060.4799 147907.5942 116821.0337 237098.7027 132122.0196 214920.1437 445371.8852 219529.9609 242711.9347 429687.6544 411479.2551 994117.1068 506091.0654 334957.7612 223648.3402 141744.5774 67456.70715 48010.89937 96282.59805 246057.9522 63243.16094 195925.3277 144256.5856 202644.51 254590.3138 197849.0215 132294.5655 178873.3262 2005.015632 86805.0009 91586.80753
BORRELINE 46060.57503 231171.9017 268371.6101 336293.532 340766.9501 29800.20128 311891.3843 673904.2285 1855530.738 1176630.543 1328662.883 111202.3928 233107.7595 1201736.686 472736.5204 1079816.311 268395.8219 376164.2611 855721.2416 1591523.703 55018.23321 37079.35165 265932.8949 50806.4955 51143.39895 261677.5017 256487.5403 324830.7251 163717.1926 353279.0152 563957.9281 342763.4653 283267.3376 1620782.978 245106.4305 262232.2165 340776.924 149182.6169 628591.5171 14742.0282 704451.178 75364.43076 134815.9721 77491.4986 313450.7033 504621.5777 83482.89657 357084.2962 226446.8246 203135.2485 129984.6737 21140.6917 285553.2615 830633.5297 319397.8078 22333.37203 178469.7701 28534.61713 405198.7851 41559.51935 159056.0374 142057.2028 485284.5926 765992.6867 703864.0206 189741.4446 132472.4706 5053708.898 1658591.163 775376.3987 424891.2279 1356156.754 935143.2417 1465874.564 319092.753 185591.9142 398087.0748 357012.6372 385561.0446 3824.911543 4275.419393 1897.985216
Buclizine 128677.3653 288137.4754 321231.2462 4828929.915 254902.8237 472466.914 218895.3451 3676026.007 161969.4759 1357083.968 196376.0918 50547.88456 680557.7405 237877.3851 850044.3445 11865312.17 1809812.922 835596.266 38275.32849 2348372.023 2922.662452 3018880.006 260730.2877 207416.9015 79632.32065 313669.5699 307766.9254 490471.4172 4467226.311 496565.629 870351.4352 119730.0423 459047.5121 221798.8112 1735026.855 1191681.023 1512068.655 703912.6346 1557620.721 637095.7198 902667.9261 819747.0469 177353.6295 1103142.692 167475.0653 1542134.343 972653.7411 103688.8886 399173.3973 77421.62706 21583.10113 9583.913232 179254.6272 3932230.784 150962.2881 450042.9012 270013.3243 292280.4433 179307.2999 397045.1514 1265136.892 1556097.375 319841.7991 549540.0632 28179.10326 388535.3989 73007.09231 5566364.925 914598.3914 53911.66796 54089.27316 189623.013 1650265.142 703310.0849 14170119.6 2045053.894 680374.5534 309883.7837 27066.98349 2685.001361 3264.202451 4147.554902
butoctamide 882348407.9 933178099.2 765130070.4 293933468.1 280453189.5 384440719.1 1541309753 756651851.8 1186693294 1371993898 1425515206 1169143746 665586455.3 1949911335 2059934916 933331900.9 1457694832 1250790129 1288385126 1125229203 1952690993 677837560.8 412533042.1 565467801.3 527996399.8 635370728.3 331409056.2 550905175.7 516885713.3 558181065.4 680348743.7 392216818.1 774971921.8 969612186.1 2476970307 1961287517 733839652.6 551690026.8 892137236.7 700501911.7 646204770.3 1115321719 1557030015 2542268578 1466607151 1177512302 1221397960 1917964358 1014609085 2710070218 477838310.3 1074647220 765350994.3 213567623 1047540302 950677143.9 1162718669 218019323.8 364715035.7 367901050.9 390503217.9 854778028.9 339078520.9 413761630.7 401981409.4 2348314403 718008625.1 1307424428 682181745.2 644960780.7 1559220345 1381233329 1054171970 1193016471 747211324.3 674803101.3 1136435626 901157188.8 1273790031 921766.4947 871685.5576 162421.3553
C18-Carnitine 3501494.365 15261856.45 1012015.362 7661647.385 2204896.959 5570481.372 18265669.23 6799221.349 5858206.341 5352568.772 5716545.716 8067810.108 4560479.454 1469683.789 5331841.864 5532599.061 4681751.026 4433950.835 13519195.48 4756673.187 10448995.82 2504368.551 4212402.36 4771852.452 27421557.5 6804109.049 12258827.52 8866060.178 5157920.996 2118754.107 991493.716 1446978.319 2067960.539 4303965.39 2118284.474 2592474.505 2602641.718 1787677.704 2237401.67 1882542.216 3247018.184 5950831.013 14132628.46 10925773.93 13070861.06 3234543.966 4507970.535 6163307.582 11989305.93 19335119.35 4931605.635 3877560.127 2150709.911 5735304.037 8179929.694 7193178.174 6180917.077 4710518.639 1739592.448 2048218.196 5509288.442 6958070.843 3371818.765 2160363.848 2063091.62 17571021.4 4278031.239 1467819.497 1142556.553 7417159.307 5923683.153 2096222.439 9036681.527 10369841.88 15490233.1 7931133.629 2820442.257 2641983.615 17805674.42 83457.44902 104202.1417 48340.51142
Calystegin B2 7557223.488 5216143.793 6583709.211 6816922.822 2889184.864 10574304.83 4430793.745 1366304.028 2112815.791 678829.7669 6929274.832 11268519.69 114949397.5 29049396.9 8001169.538 35577475.68 17587134.23 3581414.883 1896012.022 1608355.68 3922324.807 7723515.565 7391483.92 6392292.096 11467413.59 7753151.671 9058583.736 4797789.31 2802303.174 4725555.196 20520314.24 24766122.25 24289886.22 8253872.03 1250944.183 13030380.22 4263079.842 841801.6548 4668272.524 8231278.388 11979753.24 24989045.46 12190765.55 7247375.451 3122895.374 12137406.27 3184511.482 111299340.8 7637095.221 3973225.205 74858986.47 1765271.82 6592555.944 3276926.397 18206067.84 10415649.74 2078826.98 3244930.994 7052042.584 9518537.328 5616230.869 3567474.096 4362557.007 19939327.91 4411303.305 10188250.84 3865027.647 10828137.04 9244649.585 6422043.292 8475036.341 20513789.25 2126160.309 2972078.873 13887566.07 4589160.213 10128524.94 10740282.48 6182919.577 8032431.765 372496.6946 960023.6585
Caprolactam 7765.048439 35258.55856 5523.080035 8914.999816 17314.8006 51771.12452 67455.99741 31662.94655 2252.833628 35603.33914 38195.73818 10017.80374 20742.64475 13239.26369 13707.89336 25015.26218 25963.06387 132820.7328 18287.27165 4615.505038 35618.03214 34980.96437 2035.366247 24943.88133 50240.27119 34962.85513 7270.904415 64952.72191 44168.40151 80185.79512 9810.646388 64544.53023 7195.972448 46623.1483 61048.37396 177587.2215 5605.964988 16720.51503 22228.78724 10818.7337 2149.295856 48845.90467 13510.30362 35949.28179 8743.914135 15437.75735 14368.39928 31916.65553 3203.245278 13605.54753 15459.35155 23581.13763 109887.9039 50638.68802 20207.38268 4897.354685 100721.2224 54744.15738 12877.94683 67917.17097 92272.56724 7072.122111 41075.81823 7354.324946 71204.03629 37553.8106 36253.21668 6801.758491 14859.93221 28007.76581 12429.89793 57017.8111 47545.47019 2445.537178 34213.41654 39063.68414 6893.925021 17245.63249 6812.040577 10413.33359 3977.594004 2557.583601
Capryloylglycine 436888.9609 795020.6243 1519353.987 144261.9241 1059867.844 108445.9754 608538.4591 161942.2505 224391.9171 498299.6018 298293.9404 67139.81441 546468.5963 195200.4633 156782.9614 378484.1043 93305.64963 912969.509 936987.4059 234603.5592 962631.1448 1718189.661 1848864.787 979583.9384 611558.5947 348248.1702 581966.5103 280940.0851 418879.736 2539056.487 2971284.484 1686559.837 823272.9854 2734270.587 1384585.824 258150.8112 1054400.112 850389.3466 1032124.275 196814.616 628799.9122 269639.046 510398.2259 237490.671 824073.9612 167553.3172 268224.4124 153022.6653 264819.9596 285799.2953 347102.9134 104885.6777 888084.4055 367952.2504 478815.9326 170795.6094 290783.3411 368564.7888 631232.1126 397359.1359 583610.444 617298.757 378792.187 1176003.731 230308.1378 693815.3514 296802.9752 224625.6159 235675.3611 394551.3175 165701.0671 1073523.389 379380.7853 492560.9756 654463.7771 244454.87 336091.7924 629100.3405 157894.3638 100324.0819 41699.44849 52915.52471
Capsi-amide 153845719.9 175525636.2 161400309.3 182007197 140048847.8 78702259.33 81168512.63 76866616.82 96872294.98 55064493.96 115539133.8 63739603.23 40387127.85 34508126.5 59380358.73 54409524.96 56407649.31 49747784.85 120554346.5 158782863.2 81207287.63 331710896.8 59830932.98 98955976.59 78239587.05 153056146.1 59341725.28 72497595.27 59651397.42 89903494.6 100853132.3 154278015.2 138006914.1 150993623.2 178475561.8 101954067.3 99485395.3 112784000.6 177618253.9 67243942.38 32294112.6 32742254.72 48184540.87 74020232 63809351.4 51255466.77 61802144.67 32815152.64 88951667.26 114279885.3 66576608.61 59978107.97 75390675.93 127688080.3 52893667.11 67594787.39 98601177.85 81257669.33 82677356.23 177151562.6 91124352.73 90839383.16 149170957.8 107979709.8 230385934.5 74434636.69 93709786.07 118811684.6 150000853.2 162166057.7 173325801.5 101856396.1 124447976.9 152652380 147236388.5 136873065.1 93470826.15 83069102.33 72691969.78 24311160.57 10770593.19 24123767.28
CETABEN 12346246.47 16781863.56 12993329.53 27006814.98 9151226.628 13672944.83 12592693.94 7436504.574 9951008.982 6255122.3 8837357.759 6485018.955 18009087.71 11648464.72 16409459.96 6831289.855 9758658.641 10115520 5751731.906 16837531.98 5177437.67 7881212.251 4795073.45 5959743.279 5333393.505 6415900.668 5228723.226 6853400.376 7539111.358 6880675.087 9489496.542 7457736.464 14625962.43 11753541.69 8010301.464 17446714.8 9651263.821 4718911.064 13640835.26 5697372.031 5560335.403 9881204.632 10696651 8445985.336 10043985.71 4913612.854 5622303.63 6414078.501 4969026.669 6864897.666 3041705.405 4858077.064 6499403.039 6354239.887 6104869.742 5430705.947 5602357.786 12577462.25 6579325.604 7972687.275 10100396.96 7704713.374 4656524.194 6677803.899 9256008.607 11522220.42 7155646.615 14239551.97 15740225.48 13927777.53 10748377.76 16006045.28 6596803.734 22290089.55 21475104.16 12598162.48 10829792.24 8593728.536 7385768.594 1461862.109 514053.289 575056.3021
Choline 13214803648 13716465252 17960259629 18153160178 16015353091 9816074179 11663233173 11058808309 10449053743 16122617506 14848772641 11190755109 7764977531 8092991629 9825432669 8966213062 11278922750 8819298871 13177691182 19718716598 11061943514 19384480469 15300825022 19664199807 16264559939 14693707474 9317525009 19910707194 16191191665 24735443659 13098190541 12040540587 14297853044 16343121602 13278776056 14647516544 15049220927 15116649877 13447453011 15948351766 15109285545 15648224843 16137980916 17175089824 15975912890 17199841660 22283166436 14887741160 9450824553 9311943578 5819012136 14390123920 12548331469 19103804504 19151549814 13706667656 13924149619 9652278269 7583968858 10255850999 10530016676 15726429766 19997672354 21171695033 21824241890 19384054626 17488899945 17122554352 13657949533 18593664877 17024021192 15264934484 18582486514 12772799511 21373424181 26662569783 21579129051 14869490262 13117306777 1135501659 2959702044 1873404118
clocinizine 475341.2524 931397.9734 400881.5951 77141.83064 698157.7184 967814.578 199273.8499 43520.83259 136690.9691 156576.0619 156735.1316 71499.13694 48893.75529 38319.47354 685103.2801 65817.4423 125538.3782 75514.0014 184952.8221 125383.3972 506280.0429 309791.0265 290413.1535 294696.337 355023.7594 38412.21644 106223.7618 321890.667 144875.5169 124687.5519 396603.8553 463607.1745 118824.7624 308998.9537 1597780.35 123279.1755 493736.1111 35981.87172 392372.0408 308132.3242 60790.78462 89238.90961 94996.48894 184574.7268 337581.3556 88277.31555 161527.426 70176.93587 75033.344 94819.32068 75879.88118 197699.4138 161290.2864 100458.9494 80758.68642 206410.5489 32264.88225 409382.8208 217695.9304 377294.9567 256291.8066 656137.2107 72373.2893 279761.9011 116604.4792 86755.16522 228409.6146 68213.29313 674420.2355 5270481.409 113033.8368 69074.83425 203517.6769 229104.42 304784.638 263071.1814 230744.325 21250.17213 98331.20462 14485.28193 228827.8749 19453.24818
Coniine 15821954.41 23693893.6 30292583.58 29972015.56 18023743.26 13962513.8 13704304.97 9714147.352 14287352.04 8324331.115 10377054.33 10605628.74 4918600.738 9152490.323 9195317.744 9225159.608 6446476.588 7227784.286 11651452.25 7237320.268 10858463.82 36575501.73 7042834.42 11608355.03 8176761.047 11902509.77 8805030.156 12340568.41 11094613.31 16051232.69 18578671.18 22827203.21 16280090.72 13194659.63 18113534.47 9525025.843 11979291.47 8168788.624 13001309.3 9713826.767 7718513.553 4743188.33 9413159.374 7207740.728 4904794.517 6283144.525 4016896.466 3908085.641 7608316.254 13621209.76 6635004.659 4936310.725 7353529.123 11765673.24 6803407.989 5259451.678 8374020.194 10260000.82 13820714.31 21697651.45 12945270.11 13357618.72 15835398.1 19806138.4 13729940.35 10609008.26 10441297.46 10168770.37 31997718.25 22266608.8 14838555.59 14669291.83 12351900.35 16751753.37 11860750.87 11236673.15 11808588.87 11919351.87 7183536.818 3298782.613 1927035.609 2004650.41
Creatinine 43474666.92 71977542.72 35168677.94 42612979.28 23347656.82 53510124.51 115589766.5 81611410.62 52550270.44 135460499.9 182162159 56499846.73 124611321 84952591.46 112018284.7 53601963.82 134159952.5 103154360.5 142683478 47016504.52 146959045.9 115479194 94292821.77 90663309.62 63774095.75 49715727.04 64321219.58 138323224.8 114140194.4 46759163.45 30130344.52 16839235.66 22058153.93 100132888.6 66799566.77 83645904.61 93562740.47 77841477.77 74564089.25 167806490.6 77080606.47 81090631.5 146569975.9 116171624 161123441.4 161636194.5 185036785.5 104052583.1 110781582 73706926.97 50394946.73 136197711.8 105450029.4 77491015.4 80762461.04 50929368.33 54366862.92 55140805.96 103121985.7 86777931.4 54915697.57 162420831.4 47491127.49 44146862.48 32952922.7 90944640.63 105039823.7 30571954.46 34774059.59 34355600.41 32396846.86 31703098.9 32592872.53 46877989.89 26456352 90520321.33 59284243.2 93848479.04 80590041.62 7589345.405 16535496.03 2951129.465
Crotono-betaine 3938694.896 14207379.95 2287535.731 3391104.754 7547380.144 4861934.339 23927589.41 18854723.83 8492834.669 9021454.959 11227130.32 3157691.567 41776376.07 28303597.83 32277967.38 7650395.777 8251632.304 11216958.12 15929827.86 3992621.735 12712296.77 20491268.63 17865135.06 13852184.43 6428133.188 14467490.41 7739005.742 12024398.15 14600941.1 2940809.078 2532323.908 5391773.541 4526759.69 10991836.16 13916083.86 13989462.76 13406280.06 20918642.88 4897225.97 13775726.73 8977517.306 10697960.15 13753132.32 14709412.21 21509600.28 13504914.07 15117496.53 13835230.95 10574425.02 18281182.71 9572213.098 11311023.98 8621896.908 3786992.114 8651672.181 9544484.576 11142014.63 13601184.15 17205938.78 17231199.17 11415913.68 17499345.33 24458192.68 2052336.207 13526130.3 14020410.1 15500576.16 2449387.131 2109094.261 8586693.39 2735614.074 2631913.538 10257785.07 5839105.375 4989580.343 6747614.123 6263118.585 17139349.74 24031890.51 447346.5032 827219.0303 257640.6254
Cryptophorine 59214.90447 219702.1514 61922.87655 118747.2374 447257.7148 15938.81934 139738.8483 8282.053009 48591.32755 125955.9483 54257.20561 20604.3433 34291.96316 1887.560406 65297.46006 28428.58366 51604.12099 39285.83528 42912.37179 16500.17547 47041.34183 89043.25432 74472.64707 100410.6247 107279.4506 3096.055181 36448.87431 107108.1698 4095.272145 36590.69932 478219.2953 90078.11261 5006.672116 15934.86566 39283.35727 50674.29675 473736.3064 31424.74438 25808.03519 23115.53929 13337.31831 9298.265715 108349.7212 24140.02926 32399.09259 20175.57463 4756.366338 31741.60522 93298.28944 34847.71088 17686.23651 25949.3384 57442.62674 496911.1155 118863.8994 12653.49633 8502.011327 188164.1046 38282.20364 192504.534 420916.4957 132298.8004 80661.78923 159170.4414 117869.7413 12625.08522 19409.19266 17298.13932 13588.93127 161682.2389 63419.00367 130605.9641 31670.65938 45689.25696 67774.29892 337768.7544 91634.38832 7891.802988 36852.22587 8783.290887 5129.418621 5873.139079
Cyanopyrazine 240113.4193 196792.3022 224296.4105 554180.5769 261617.4127 313624.8587 2205770.487 977403.7571 630818.9741 1404412.847 714414.5954 2187250.732 863903.9243 1155500.258 1024735.285 429049.4221 638708.9157 1392100.818 732097.1657 326593.4528 1990897.137 384078.6617 1001528.553 953608.3669 569965.5209 310037.9349 435385.5903 271675.8336 390846.6783 273209.1831 1278527.483 247960.0234 80449.9127 770737.5563 198846.7335 286806.3177 260125.8821 4393479.769 575284.1008 511218.5838 389248.6975 1743101.98 3791003.735 8558103.05 9043889.232 2409032.787 2400595.31 1766911.312 2624465.722 3020758.268 985614.7845 437718.4764 1961892.64 463959.3172 1754974.983 2291392.561 1300155.256 959338.3944 1018973.485 967058.83 459717.4331 934713.2344 169971.1618 364901.4602 327911.3377 291063.0281 1250753.671 138938.8596 3264019.503 335789.0173 751369.4038 60352.62552 406334.96 270442.4356 593380.1018 299947.4539 419706.6657 612405.0374 692710.2322 568210.2852 74878.86056 29366.2758
Cyclo(leucylprolyl) 21359.97231 85311.04797 25070.04971 42182.91746 98285.58717 8244.293703 37373.17043 55270.55346 4308.870981 8690.782961 30730.49868 4602.660301 41404.71115 1854.112228 30298.71831 36112.24494 35816.16212 48991.42932 24370.42646 18825.55838 26144.08804 405631.6721 116013.0599 50355.52937 16122.95736 19649.15859 14560.72119 24360.72594 19467.01357 77367.84535 5405.65045 54896.18511 2774.836593 27329.76173 220623.0595 65179.48427 16182.58078 29755.41397 11100.3758 35640.93922 1302.771396 20267.623 21524.24841 4168.00841 6755.889229 27386.35955 10304.79951 55388.99872 1648.919064 32529.72543 15003.23784 1925.657385 56798.06227 18768.56796 5408.935763 1461.700511 38598.53852 16706.033 51149.25148 36175.39746 17185.16712 5726.298896 36776.79885 49361.22927 307564.7481 23050.45145 38241.8005 10031.06687 8584.371264 21825.82404 499274.6421 1550.084111 73051.65221 15051.63892 9254.438144 34572.43256 2030.705512 8586.45825 16021.01433 5234.306796 1491.078743 866.2258869
Cyclohexane 986119.8527 931650.3179 539606.88 1867083.346 3333007.689 3377389.483 894426.5268 2510109.887 1620074.499 2352742.457 1039111.128 1141130.101 778539.4558 1040366.906 1007674.416 1306145.018 1431664.459 1910576.959 554496.3184 1348414.38 1041675.525 1114065.434 1682400.96 1439116.308 1141435.246 1918441.877 2933178.387 1094193.681 780028.9122 719596.0874 860955.6283 1682009.107 1448838.438 2503958.592 1054896.326 1126656.079 1037945.126 1348315.191 1706696.454 1531722.148 949664.1809 1329617.095 655145.868 723896.4341 672917.1578 642798.1315 388596.8811 650094.3547 672048.2094 497625.6021 438441.2703 1261983.666 800452.4634 893361.8734 1023366.78 992660.5378 852797.7505 1018737.124 692390.3059 699525.4016 1196881.334 593509.2343 861333.2666 2100017.878 1005912.383 2587583.5 467611.3615 4137866.936 2313601.424 1968645.706 2272698.477 2543584.124 2264040.087 2527548.006 2039889.171 1399823.372 1281955.58 2071592.12 1171293.893 329295.8213 118685.7478 77804.86928
Cyclohexapyrazine 89245.21254 26877.27052 22007.41719 518803.2761 406914.1306 391934.2208 80100.2347 26400.9252 132116.8652 92575.07256 369787.5102 760143.8941 67391.80843 93887.62946 171004.6075 234651.145 73614.07447 239377.3412 125143.7551 639921.2914 115769.0779 29933.71359 85117.95334 101620.3173 33947.35613 110348.2937 39462.07 36836.47076 69912.67066 242893.7286 503878.6075 60441.29867 164668.1999 172338.0311 128506.9998 135116.7893 70304.07475 335370.1016 53819.02662 382780.6095 14457.45794 78380.21318 19609.70452 44297.65761 44670.74356 6418.334561 77145.57477 98046.86372 45190.00277 101857.3519 51276.48355 18415.7406 162269.6333 149393.1514 6264.564169 8435.02912 320082.2429 424898.8311 65161.8288 15756.91697 122166.8445 251561.6685 490365.0737 583229.9497 1123969.24 45235.06058 46072.06784 15618.49465 19239.41251 1010415.019 14908.83882 2140877.186 21741.35045 560349.3622 186341.0677 310569.0952 54563.95471 52934.37332 22649.48404 26450.57547 24640.00753 38457.63584
Cyclohexylamine 201193515.6 564660508.7 194091805 259915369.1 220199076.2 338966086 2087482963 1720916451 1800061604 1860806407 2184118049 2681535688 2208662714 2688813830 2151265690 1232554469 2689477970 1398367749 1681576468 669138780.9 3691633710 1133041816 1296720941 2095425588 3380888317 1046622579 1025388590 1334282210 1148703416 512428311.9 456768099.5 1101579629 492585750.3 1229050554 1238210059 1058705496 1285872895 1303146386 567109442.6 1720115179 1205684520 1537890322 1690077615 1493732824 1601108477 1381826276 1557499844 1515212186 1631882739 1597918243 1787638693 1462229886 2034016379 2117629939 1999337356 1861354029 1647408645 2050351725 2002699032 2073085845 1329984372 5642497862 1804725406 354040714 1635027359 582305802.4 1971415239 352292784.2 348887741 396757328.3 373237203.7 341685690.4 1624784919 289190805.7 1051435573 729774232.8 1056575580 1550741051 2039458130 84557538.63 178748117.6 87294549.95
Cyprodenate 256951.9128 425586.8947 216014.2143 210025.385 724647.3887 705207.788 291276.6811 634063.1533 919655.5844 1347150.156 853483.534 1086480.811 483117.2173 258838.7408 514947.6806 359619.3728 275205.2964 1315068.392 1030711.11 407350.2919 261521.7298 562390.2502 323887.468 288237.0664 227253.4534 491342.8649 178207.6628 171557.4721 305095.0647 223263.9477 517185.5687 243836.4777 956790.0134 401567.9727 349810.4497 618477.1793 200776.0214 744392.599 114811.4361 310730.9466 290140.4511 183522.6368 208571.6481 212595.275 323641.4423 202495.529 301014.625 323057.9927 193213.3241 222845.6887 195197.573 384625.7654 610059.4475 543082.1143 977731.9453 441656.2591 1677976.561 664399.6166 602173.8544 727263.9004 1127659.806 617374.1153 3513092.955 388158.0822 346790.7484 525340.5055 307755.1785 94677.66172 203979.1278 1727788.713 95754.4203 1331343.608 1562956.782 1834689.237 915287.2581 71457.40673 405646.2591 584140.942 447838.8136 38326.28545 76195.64803 29841.338
D-2-Amino-hexano-6-lactam 36599754.54 31733996.65 12930146.25 37007330.45 52792708.82 33238064.43 209799084.1 158802195.6 99073039.24 124030699.1 162570606.1 139427698.1 194832811.5 43065433.42 198135812.7 48803450.19 126061990.7 97472240.59 153952043.6 105142982.1 79788586.86 104724268.6 119692813.8 128389645 53162202.61 118942727.2 78453421.98 161599945.3 85189047.86 110234571 29701417.08 22904014.22 67115867.09 147940509.6 135775262.1 163421458 135760748.6 50040235.55 30130733.14 169312087.2 127724893.6 190150219.1 138818077.2 171187361.2 188846096.8 152854986.7 174017894.7 192528911.1 173071282 149866247.9 148003982 142569616.5 72143737.07 164594819.2 156622508 63533870.08 158707901.1 219199440.4 199940341.2 83550701.2 108005580.3 75268358.71 215771891.1 33463414.18 220573997 102233455.8 178301631.8 11569527.89 13738080.54 46177357.43 16486624.85 41505740.22 180223381.3 19478049.69 176201919.3 58933988.4 154465258.1 172294352.3 193452462.8 4391159.62 4909140.694 5662048.716
D-Cathinone 171065.2573 796011.7671 62164.20246 43323.12164 112191.3488 52116.19593 113560.3076 64409.77608 236108.1549 129215.9161 152477.8536 105156.5986 185276.8412 606855.2823 59216.49396 94171.39009 161239.9841 249360.7999 382133.0392 852897.2681 35996.102 298863.2733 26878.30318 160023.0995 228125.4563 89256.50725 819170.7285 101924.566 101559.0402 71083.86586 209034.8751 176677.1475 279394.7453 51432.64647 100849.1147 176997.9264 224491.9852 76182.00979 57719.80537 54762.92698 160849.0031 34446.31719 70487.34144 31874.69123 123120.0152 106355.6008 65237.40917 64055.76563 114979.3023 49296.19657 53632.17231 244604.4597 78891.18977 434336.1372 91682.74746 14805.0285 16436.47301 13544.17231 306183.7762 232514.2747 309199.3968 292403.8225 191303.1184 491696.9496 156100.6913 102528.4586 103425.9327 322300.22 332816.3254 143793.6864 136883.1254 49162.01417 69239.54493 177723.6503 194237.4671 165571.7395 129992.846 149719.1823 322204.7444 75346.76092 18335.07373 22452.99964
DD9275000 728404368.5 470239426.6 539911606.4 1223646541 1529618639 1025777092 1107111022 2603745626 1017669825 1229303874 708730785.7 1675784345 1674950846 1484446455 731792313.4 2348599848 4776005732 1665284729 884622278 718868137.6 840919369.5 482459589.8 786809168.7 740021079.7 539222307.5 576538029.7 624005088.9 496510044.6 435025734.3 623231579.7 1199701710 1617092555 830771655.2 1857850685 685188306.4 1120017060 1530333858 682508693.8 1125688753 1011018553 1691837324 1131399426 777470038.7 995019246 1334496401 798197856.5 789682259.3 1161044603 742429866.1 959731362.1 1188727754 349842037.1 917348219.4 439102008.1 787913879.8 549945529.2 509966765.6 839558993.9 903330481.3 1551274960 1394094338 451985921.5 678132785.6 832144282.4 1186482448 1245057181 844479265.5 1540557129 2212730097 1542517862 846009971.7 1331955639 484543481.9 1343338416 1620485156 1034202030 763033881.9 1525757920 1164847047 151946359 13854577.58 1490195.697
Deanol 7484139.65 5966327.556 8333064.159 9001618.248 6859489.664 9529534.952 4869683.652 2711478.716 1915981.874 6861177.039 5771951.803 2182607.097 6773063.218 2071303.212 5662943.333 2241684.539 2138004.009 3470036.262 3999732.756 3883538.896 4321767.806 2720626.826 1764301.28 5211346.401 2796380.247 2545871.97 4688783.195 4546110.868 4425560.725 4471238.976 5836412.657 3693927.92 2431929.968 8171954.04 3596893.385 6032387.538 5515462.811 3272342.785 4385055.134 7486651.917 4794284.842 2840126.401 3073351.536 2654937.98 3188136.356 4747542.434 1633214.22 3851008.482 8092514.908 1920011.871 4602237.561 2132375.287 3144753.583 15141971.77 2956180.151 6432556.346 2928806.988 3868317.014 7923840.409 11888936.21 1454254.39 2622629.649 3698344.817 7486970.28 3587311.681 2902276.067 8324297.74 3208202.474 6277504.1 6240395.032 3744326.55 2792158.64 4939361.519 4462816.308 3361777.739 4372674.991 2152028.228 1553712.945 1792175.561 1149288.784 885402.3673 293121.9752
Decarbamoylsaxitoxin 10097.50261 194054.2795 178941.8667 113006.3222 42746.1107 46291.45393 50759.62502 15591.559 39569.66634 68395.85035 31131.23091 9413.598032 2131.570503 61234.35965 111962.2974 80510.54678 53049.4796 16727.86425 10199.7044 13259.78211 48842.44949 19005.0887 34928.5156 23804.16364 31044.86925 105790.5214 4976.422832 153062.3569 57042.83863 170384.3834 796841.5956 69259.95301 54905.44742 92763.99504 44232.15377 9232.931727 13082.58174 11025.66181 80939.29243 35784.42038 104988.2923 95342.68444 169524.2764 51188.13877 66880.63255 12564.04576 11188.60467 127687.1145 132879.3458 13044.26004 479794.9585 24484.24883 47018.23949 264756.095 63367.51453 15062.74222 32624.32561 24267.17993 54825.97725 28780.28531 9424.830839 39846.15323 132460.8967 244350.1492 3224.400882 99627.87992 101237.7786 49095.29665 27731.60671 205763.7788 213895.5865 69740.15619 38246.13584 29780.35688 20019.69497 76575.77882 11726.81956 17871.84987 44877.0346 27017.07125 9822.148282 8749.062224
delcorine 847921.4788 69035.6513 34239.92315 17921.58142 184709.6619 74306.07087 64476.9265 337518.1922 14507.29679 90373.02304 644138.1459 57582.14501 32630.65735 56914.53304 17839.71538 142745.2271 48766.13429 683561.3235 12205.87894 27285.51 51316.47135 118722.7424 171192.4608 248435.8834 31983.93878 65246.35864 166994.4334 122415.7135 126071.8868 8918.737864 117161.5984 133315.6966 27716.49863 107217.231 38048.36452 64681.85041 111373.1624 12982.77108 591018.4976 204398.8211 233785.7485 80320.31998 108002.6872 85231.4379 57426.18671 45900.51135 50567.79821 78860.7977 55512.16278 48845.6316 95260.0718 31525.60647 179835.1506 495298.1895 45345.07875 340136.6971 461245.8538 22280.7015 1539829.541 24109.42971 63249.70264 32745.34898 75577.42588 30143.99421 23431.05187 247871.9524 75692.66162 107374.8599 62590.05329 103304.8204 11720.52448 180469.5355 13507.93828 93780.03522 75311.03009 145728.9091 105508.451 467279.1556 258834.7226 17255.4951 7773.851599 8392.031196
delta-Guanidinovalericacid 42797.99882 380460.2211 40721.05328 46164.0647 93410.40634 336957.4064 356569.6198 330184.3653 515445.2598 503743.3753 447002.5898 676893.2099 428065.4942 919605.7253 3436177.363 1761903.172 738332.1756 440022.2723 226681.3041 72099.61398 552095.049 157326.4083 144815.5956 124498.6927 67996.50634 61765.04038 56531.1835 203717.1518 952561.3791 72118.90882 25828.98503 100772.4044 288790.6785 906873.4135 700970.2863 763846.4894 749624.2895 604069.1154 177545.7345 513404.4929 1111942.901 2851382.035 4900870.505 4333004.053 5017340.467 443363.7963 558567.3854 472611.3034 783457.8862 272684.4312 67612.92428 570926.7049 169965.3834 1096244.534 163207.8395 153710.4136 205518.8883 1071480.269 288366.4684 1882388.09 1911286.746 3463188.436 653422.2353 228185.5902 626811.2856 289769.4987 1180540.047 301422.0054 202563.5748 1496444.001 508477.1709 1267097.253 1175871.881 25220.37059 222220.9209 111698.7688 178801.072 125682.7521 173483.3399 1847.822781 23757.64167 11492.54059
deoxyhypusine 572944.1062 2866254.469 3088450.153 657112.983 1960743.693 1821639.467 2906906.89 1190638.344 1892822.639 1937217.471 2846303.694 928477.6702 636124.8785 1992374.974 1828436.062 2642104.373 1280735.911 1136144.242 439740.6183 3631552.357 452700.8038 1427623.131 2693953.541 1723563.792 1372616.369 983960.5967 1027647.866 1904577.401 2372657.162 758765.0139 3504734.198 842652.0652 815694.9879 853939.6084 347470.9746 1220946.203 2227422.585 2943261.591 2341907.74 1695125.934 945859.5522 6188116.903 1667622.842 2785994.093 1513551.123 1931481.255 1982986.482 1598520.721 351482.1229 4336497.012 4453382.851 1294835.153 1203483.89 1794392.01 3591199.693 4343587.259 3879900.253 2014847.943 1484329.848 3446126.108 4250065.242 1399346.747 2293389.683 2512793.21 4146314.563 931497.744 2099986.653 2092472.508 1683517.404 1529038.522 972490.1292 673507.3968 940308.6481 1325404.254 638833.2411 8286448.375 2067929.281 1481909.908 1977768.265 2792.61918 400934.3298 826877.7941
desvenlafaxine 552073.1147 64914.88247 91358.45704 584931.8092 228758.8067 441658.9952 74544.6403 173751.946 80127.08365 518951.7976 440737.0871 6244.374386 128372.7658 60834.38649 27450.47688 37635.12562 119511.8658 7098.889849 176558.5768 31597.7626 58337.99868 45531.27282 20886.90975 62137.14444 47855.05848 21295.3734 10477.33837 445421.0966 6485.801265 40940.90689 491106.3613 45399.06664 52157.82472 14818.37373 20969.35136 12570.20476 158738.6888 84736.72651 133515.9234 324092.3686 17587.82773 100839.4893 102449.9416 82415.8704 21868.93463 10411.15701 62999.23763 178103.5948 37418.56606 15364.9793 99555.21593 12891.41023 8081.887005 36697.20045 211833.1013 38798.04305 23879.2823 293702.7223 127546.9644 56696.51849 36824.75795 6921.421891 57570.2848 45039.16686 31796.53306 77347.01086 111415.6929 631688.9097 19577.18475 16762.98693 61443.87909 38984.29312 57908.72764 197288.1257 65852.4096 957544.4491 30335.68369 77410.90057 148184.6815 20876.42165 8380.458988 2274.974655
Dexamisole 926019159.7 866236303.1 729598669.2 1216810932 2033510188 1465090914 633239687.3 1608846535 745833735.9 1306209967 1205404080 2397268590 2274244678 1160727026 759451653.1 1286700370 1521873630 1732643867 1225794524 1255198479 1527367105 651652731.9 1237909230 1259704801 611523580.1 739220887.7 1876724837 970579942.4 492851472.9 557179813.7 861543884.6 2030953043 1138857553 1250428366 1533630014 969851708.4 1497002689 1019357026 2089862596 770195596.8 1151510093 806041921.3 902535671.7 824149099.8 1233736510 950107360.1 840723980 1279451059 765639835.4 1145267832 1064986391 812585138.2 975497551.7 842982541.7 705898406.3 920783879.3 824618871.8 587931208 552914097.1 623601637.9 2450700849 471556998.7 3889290826 1994820626 1466140754 2148369838 887566302.7 3118293899 1893253626 1303131535 1823447492 2484264256 629361761.6 1063678258 1699964804 542370650.4 1003687603 1290154428 1294682374 18920716.08 3828977.776 287216.5908
Dichlorocarbene 2271600.485 98894.32352 440588.2176 337768.0045 1269575.125 1133828.412 223932.2091 1032143.999 467123.4708 260769.238 78757.98942 25545.0862 27867.28708 13262.42177 62098.16003 22637.18112 83563.76463 32628.34908 45982.42577 16502.41637 41878.20385 124777.0845 1190189.967 214167.5168 318551.5561 669632.6933 86606.68182 118818.4666 332380.7117 160550.9604 230286.6632 1151154.263 1160138.07 54475.88115 52769.87271 132661.7432 72503.52773 41027.26869 351736.2241 199331.1889 38549.44202 48575.97693 31041.41722 32877.05565 29969.31447 27337.45077 77856.81429 25998.37353 21176.81149 23542.94148 20859.92037 1613427.196 21250.52264 31914.87614 2158052.123 62316.62003 1355316.811 68215.22939 45353.19581 31201.3309 1926206.528 1361728.6 86071.39406 314449.8026 62335.25785 108746.257 1774156.834 642587.3867 1726294.679 470346.7022 8190411.335 5942085.416 108002.5543 119031.6004 631457.179 3549885.097 1996196.198 181989.2215 148263.805 32923.07264 19931.9116 57122.35514
Dicyclohexylamine 53853744.95 53471069.4 80610440.85 99558055.69 74864712.34 131412950.3 61034971.64 55842556.95 71457996.27 57450696.82 57315199.02 55681104.61 113721458.3 40462479.78 167040964.1 33645172.45 49743070.58 91075306.45 106437951 57377074.78 59486849.21 100473086.8 44686182.52 59797658.07 76136230.2 75316289.31 54636862.84 98255676.58 55862436.04 49132842.98 175158012.7 62745436.85 66067965.29 62281715.61 57645340.29 60426275.07 78548521.91 46412391.1 122675682.2 94059092.66 40071970.73 48737722.39 45798396.44 65200361.11 37922042.56 59264547.8 55252439.44 50587889.77 42171834.02 40057538.44 73498829.24 50461921.09 39293143.07 114440525.4 70633956.14 75979358.17 57692379.67 79032682.73 176727766.8 86162850.94 54000861.1 44568464.25 55944227.02 98050115.69 79452761.13 51191758.24 70684007.47 86227465.76 66607289 67330550.59 70529796.61 51396365.13 38735999.92 51529562.77 44737603.36 94450100.72 92306030.61 44779802.94 48611808.5 18921134.16 12075133.56 15305590.17
dicyclohexylcarbodiimide 760587.5913 677955.668 718062.1513 136426.042 208475.0751 1061227.754 163802.8094 146244.6674 316603.672 45738.69325 38735.41127 29926.90592 42314.78986 17824.46065 75323.79333 77597.6222 114369.8351 185285.6959 49857.92903 242861.5498 81856.76061 284186.0548 395559.8154 290622.1799 54084.52954 31211.04062 30898.91001 71814.35889 49029.8807 225143.1671 36745.23128 13094.82046 8021.832738 27410.01296 132659.6729 198973.63 71261.81774 51870.42309 437769.4714 57151.87339 25798.4543 26222.37568 48460.58321 34613.87582 73349.92423 332744.2717 175219.4488 304927.2285 31435.64648 43278.44857 23964.1685 210438.3277 119788.8273 1576871.143 51679.64161 27179.42665 61781.05346 74922.82251 176966.3021 476007.328 619466.4975 64833.76384 110221.5216 163988.6983 36875.85427 73705.1569 197133.895 125551.2304 224909.6779 17651.7266 83993.23705 31301.77686 600770.46 245929.3317 14133.43663 20366.45364 191284.3051 158527.4961 35918.74805 1723.205488 6882.636995 23535.15877
Dicyclomine 9433805.425 15243913.41 10181539.64 18425609.42 13438483.17 11976513 11118390.68 5341915.233 7669255.236 5643908.762 8022110.92 3244468.295 2048867.452 1621019.604 2946109.423 2776522.44 4651310.326 3811319.659 4574137.882 13029916.63 4728690.434 10093721.4 2593673.919 6285944.904 3087585.01 4263094.223 3561159.714 4223620.75 3073633.274 2201788.328 3418937.374 7263989.427 5585620.194 5229681.432 8882681.752 4736175.793 8660719.461 3605207.701 7457844.914 3213916.363 3141814.844 1167673.454 2249653.927 1570836.178 1162869.773 1609864.795 1416488.652 2091623.917 2771324.985 2200290.996 3346919.832 7452024.556 11660992.32 10544524.98 6514432.726 6113989.248 14261088.11 7605355.403 11014236.56 14121918.34 9981256.101 11082326.65 16613131.12 13316129.78 12616887.17 4761914.585 14065584.77 12789978.06 14643154.79 15078078.37 13987295.81 7839334.856 15877732.37 11918035.99 12385397.41 14444337.74 9659254.499 10870577.97 9299964.178 1371007.718 354998.6544 385408.633
Diethanolamine 6512058.607 15723271.91 6308820.366 6826244.573 9451030.729 7329881.08 141281629.6 177234681.2 73194809.39 185134348.6 132499608.5 289258291.5 178021160.7 116176468.9 102683908.7 74809764.47 162846498.4 87992776.24 139587679.4 33897879.9 169989305 53002707.58 78393022.26 47194511.12 79137747.08 73043262.1 96812686.18 78429682.28 33372320.87 42606025.98 15349268.68 21485059.2 9522495.152 85451556.59 74527167.83 80752925.9 66830603.58 361809430.6 29269152.13 158734831.2 77000257.34 246323108.7 105689814.4 293981620.4 248077065.7 277151437.4 222285347.8 102497147.4 220782807.3 86903228.52 222470235.3 108447439 176824820.7 134755400.2 311020566.4 126466599.9 88998468.13 70275468.77 295182277.5 215921889.2 69020907.6 84089792.83 59113661.86 15896277.62 117161828.2 37826656.28 86334731.35 13405988.54 20296505.67 25972227.5 25744483.35 31271190.22 139999043.2 11491437.89 105357126.7 63693264.71 178679584.2 46703061.98 117435844.5 4611609.369 10057763.73 1818599.027
Diethylamine 1307475003 1704456291 1819401542 1375009260 2164349049 1215262350 515988327.4 1036026468 485675095.8 848658825.2 796892398.1 810457485.2 507572819.8 393997813.2 693099374.8 367350629.2 718555554.6 475302965.4 618034569.3 301216311.2 773615771.4 1032303738 1327939460 1432991751 1187455340 1027540895 1248072962 1680906621 1183389355 1073864725 2202486601 872727871.9 2469545613 513469826.1 766582291.5 672417022.5 1248630821 501405577.1 893518482.5 510228404.2 972894096.2 1264879598 1145616866 1154647189 693951554.3 468783770 1117615125 1124821671 1250985666 1240492889 803837468.1 384375489.6 834096688.8 701468247.8 486856908.8 562051363.4 716439102.9 802292188.8 690596386 1228097556 610912102.5 538120178.1 355295996.8 1572441495 919056572.8 1322231646 798511942.5 732884829.2 832108662.4 908716262.2 922418799.1 741851173.7 679672048.9 447723159.8 721699205.1 1008659952 794332310.3 453741290.4 672523855.3 297749482.9 182146675.9 161055763.1
dimetamfetamine 88757.54839 295746.3805 655038.8675 1985635.647 117290.1302 519278.5177 43095.08456 283029.7353 102171.5278 70433.33702 110193.7091 152017.7175 143820.1776 77741.2944 367827.3905 153145.5584 224690.8592 1023816.337 355470.9396 232293.3887 127160.1598 977101.0232 185258.3859 679061.9092 178537.879 650201.0347 40594.54757 33824.25388 219737.9335 83668.22951 359459.7783 204138.0522 198985.5292 360915.4224 31436.0811 129705.2813 204888.6223 325596.509 1932540.531 86993.35862 309979.3605 7304.460628 41018.40877 50263.42032 87108.72754 24673.99224 26043.00043 85920.82382 72244.38576 133188.9556 19638.45537 21602.46837 46908.61183 390022.5116 117730.4026 795988.5212 78960.79524 397781.524 307718.4644 12551.61832 142878.9391 252151.6402 282840.8105 80383.07315 68029.81819 23243.82637 61048.00215 511907.0669 95680.17342 298410.8138 15696.91401 152258.0672 38083.0366 198107.4581 172355.6648 48150.44832 98774.40989 354895.7827 246559.5148 20817.11875 73345.87136 47318.16267
Dimethylaminopropionylphenothiazine 10754829.69 35851321.36 55885043.23 55483717.66 85137748.67 50082054.35 60510183.99 272300773.1 53071338.15 119850333.7 49927171.06 189239205.5 128105798.2 102931989.8 44877100.37 146242288.9 68274067.39 86956442.01 87970177.93 129319042.7 90149789.2 27143921.91 51288810.39 35761363.97 12018107.79 48479063.37 33913887.07 56149202.98 56744686.94 35864312.02 119443709.3 153980898.7 115698794.6 184670540.9 48326880.26 67774285.13 74810153.53 27836711.49 76027398.6 30669666.81 188546174 66453063.39 38825780.96 33337451.81 59337575.02 64309821.62 48433836.47 32047612 41897751.42 52879181.53 53856588.8 106216630.7 95114116.36 57362146.77 105275178.7 54743006.96 55317071.24 26356038.47 68050265.77 44391155.89 98589847.9 34955760.06 132691711.1 107569601.4 85139125.54 108557441.2 29572341.36 188100825.2 121059146.9 186071896.9 56154205.14 151059641.3 61881317.44 115276517.9 80278229.74 61355600.07 29836390.61 105509929.6 98942023.43 120865.8687 36487.69323 48409.05334
Dimethylbenzimidazole 235487.011 246131.6962 159655.995 274268.7369 363412.9976 94230.06007 445547.1885 286336.5686 237145.3648 147175.0451 435844.6929 28923.2947 146609.3564 580813.2391 239834.8655 123979.0406 181129.8669 118362.4958 202471.7462 112414.3586 394376.0165 447247.3153 166817.2766 250632.142 118116.2344 119511.8116 158085.301 285451.1532 380267.6561 241862.2185 318186.4668 541186.4966 75929.75088 176503.5321 483804.0237 135498.0304 74299.71978 135290.7263 200762.4796 367577.9781 192232.5185 140320.1407 399516.5593 105329.4713 479085.8463 68601.78802 114782.1725 106196.985 216230.9709 132214.6074 140064.2589 249427.8536 309960.0516 66045.8723 75402.3739 168574.2082 189875.1916 202555.8362 447769.9772 237939.4663 504195.7178 417091.4697 321830.1367 383868.925 152437.6567 105725.4104 491432.0769 210943.1115 688639.3987 375249.5911 98919.1434 174248.6597 249969.0159 98629.19147 175327.3041 394742.4051 230742.2424 101685.9794 96344.6757 58666.11876 29069.94315 17896.21226
Dinitrosopentamethylenetetramine 6662.369377 8989.837966 4302.207834 7857.921954 6883.798376 9241.102823 248418.1422 87605.79061 135978.8181 101976.7567 35107.60067 259175.129 149129.8207 434242.7283 886518.4705 269593.2152 209788.2163 88553.98235 119954.5398 23123.65215 170522.9188 26880.05134 198537.8486 49897.65678 414178.2055 46347.49401 174823.2217 40622.37139 61297.57773 19026.09727 53635.51542 4644.738528 5221.815853 61632.56232 46026.04511 48222.74109 28915.35546 717255.5601 10042.76324 131755.2796 54587.79335 660933.9022 1599519.467 1099478.382 1401265.239 1053913.901 868540.6065 237985.65 1686050.281 229869.1317 1130191.663 536320.3081 328150.8428 58579.79596 161315.2067 392795.0244 498438.1094 239833.305 282930.3789 905953.0565 41087.74431 142739.3707 13818.29568 11508.94363 284208.9703 32731.39629 182200.7447 8651.182244 7653.42325 11976.33848 53185.58236 27573.88724 105025.5142 7958.023943 61975.39371 32618.58064 551460.3644 74012.10692 113633.8782 63020.48262 73362.43918 2606.530555
D-Lysyl-L-valyl-D-valyl-L-allothreonine 63843.95379 45555.29494 79412.285 143285.2981 145523.1582 47099.57819 271214.8811 117716.6935 401347.7409 691232.0575 96260.84094 313953.9948 48292.84 75393.74226 487934.9275 406740.2871 185815.7099 202158.563 338699.0121 321169.8509 169345.7169 276183.9891 102558.3105 287828.6597 233204.3056 2649485.277 128135.2366 53446.81608 282456.7564 270475.0608 1163842.619 61638.82879 1064803.115 592440.7252 373061.4175 123133.8296 142156.7624 376623.6758 474695.5472 123328.42 1017357.383 38353.54447 103148.3007 108417.3159 236365.3601 117772.2169 109087.5098 69158.01353 67621.6378 147616.2127 176231.025 896555.6309 189772.9215 320640.7136 226040.7772 246227.2019 221432.3535 126563.8952 70219.55624 32741.55832 1285602.593 254651.7166 649402.7041 332541.2201 280635.7392 64392.25366 170346.6965 1122343.417 1132929.754 936007.3191 620195.7446 1514353.343 291694.0171 775395.2957 630080.4842 824124.2564 269552.8558 283541.0472 425960.6221 18991.80529 19694.54455 8209.974969
D-Methionine 8899.131506 13528.06934 6126.452913 8491.611255 9500.40273 23285.61657 387924.2796 105707.0677 255390.77 451333.9744 47758.51388 1397329.209 897073.2616 137554.5343 169445.8586 609420.2042 119813.3015 54797.00989 600366.1168 16885.47157 517729.9341 91643.61078 424519.927 33460.81631 56233.05552 47443.0132 83000.71087 42370.00347 159186.358 215557.3698 43676.55483 6691.334771 6459.31076 190603.1332 27179.282 186883.0849 93518.25696 2290227.383 13186.96999 111367.3437 111538.8066 316617.3898 1614366.919 390992.3076 993739.1469 445714.4747 563094.6293 3816016.53 184688.4886 488605.8458 194023.9835 1770422.298 2419818.927 93947.33903 108026.3579 442567.4128 80595.36283 31266.22011 54349.65042 41139.81531 159896.68 509736.406 36184.63392 16350.95877 302056.7022 55983.07343 476580.0301 11618.05828 10895.4245 9090.557116 30646.92711 36817.29802 129616.8927 19053.35161 202651.4812 27198.4363 511603.7394 83151.57423 99757.3888 4034.618927 6842.504683 3720.462093
Dolichotheline 1870037.917 4493959.537 932747.0875 881582.5199 616246.327 2063632.725 25708479.68 15516811.98 15861518.47 9438147.065 9142486.875 22595763.52 21112087.29 17917274.42 17358616.05 15579469.86 11641802.57 10123186.87 13271433.39 4605523.189 7510995.677 14891839.23 16883195.01 7069131.07 20782017.06 5454639.815 12717245.84 13504021.63 9974731.783 8040011.469 3350596.439 4364722.675 2923439.264 7928060.134 10433603.37 18177872.41 9177676.622 33682875.11 1913793.819 10170419.11 8497880.635 27982734.92 42286040.79 44631122.05 23239740 14294480.83 38033353.43 32462150.28 33412238.71 28369839.59 27642060.66 24283686.86 17149936.39 7724914.624 23435693 14766827.21 7983097.87 8621128.104 21805405.2 19241358.17 5984612.713 8742634.522 12742331.34 1346016.664 11731359.58 5868020.822 9787577.185 2120005.993 1546429.205 2927957.932 2711334.237 4601791.113 10782740.27 1258944.667 9491590.062 9199765.93 17595738.83 13043856.05 23536860.25 1370112.131 8852774.422 1452684.422
D-Phenylalanine 100764.0242 7030666.001 50089.50319 55953.85485 154829.1083 75324.10113 18916986.31 11243964.4 7996975.201 20492171 7937281.432 19598179.79 9230565.239 10408349.93 14647859.74 5100979.454 9994678.015 18326228.08 21423594.09 13531782.17 9416705.69 19414294.18 23876668.34 23066433.27 5734078.837 4990194.723 4024514.073 30501547.37 10940797.44 30177885.42 272654.6854 570255.6648 59505.13586 16750158.16 12678301.06 30184094.11 28589769.19 32037955.19 1618096.331 18764587.04 6111999.835 39705635.38 57303368.14 24016052.4 52667141.92 34547505.04 62260895.14 16420371.58 25412806.05 19127501.98 7470418.569 45309053.86 22704738.49 28130905.19 13905692.42 25631037.28 22704148.28 1507449.34 7769808.687 1506381.924 34289688.83 61642297.82 66288219.82 228445.4134 9710402.258 6617332.79 8313447.329 179388.4244 191140.9525 4603737.748 5702881.95 6008891.652 45608652.13 26484.06216 20534131.25 13675187.06 15343118.98 5302128.453 12360720.57 2802.962726 103560.596 4281.240267
D-Pipecolicacid 155214.8888 46485.08671 6974.890894 8576.086064 14060.82146 61672.71878 163526.7745 33950.64955 14231.1232 33390.28913 6618.204051 1639.759303 1347.094109 97799.24623 134687.6851 31044.83983 42194.33504 39586.61242 48806.18835 60595.97735 350113.5624 76818.9678 16406.44386 21725.70117 54723.13359 49721.61162 12046.83384 254552.3958 14469.06683 175667.6445 49965.61725 134369.1346 56640.2037 21917.70093 20687.8166 26444.85963 66691.74379 27033.53194 20764.74738 49047.92883 65844.57405 111859.9915 72110.37101 89539.33484 55829.12428 33776.24949 55775.40919 66694.51792 20466.9271 33438.7077 859346.0681 9807.727285 69845.65597 300858.3569 21242.65128 82233.34178 20610.42668 5335.987381 53540.11309 343769.2029 669858.8975 339062.3437 28851.2608 27831.91021 13452.22502 7315.743579 330618.8988 52668.98515 31932.28643 227215.3856 635976.4945 112340.9558 35648.42457 24729.01276 149526.0184 31876.62355 18902.39285 16143.8926 50467.99431 25475.65736 7373.07688 11893.40675
D-Proline 2489530.253 1263513.421 2947399.55 1413090.798 217220.2127 1497817.237 10877975.03 3667418.94 1902344.023 2145776.026 2918519.203 45630628.69 3196553.482 11709148.09 25547839.88 24577590.93 9105199.838 5267358.55 6151620.387 6505548.205 6060184.481 1907181.119 6048282.885 3252740.809 3762240.566 775259.0405 6549512.31 426456.5177 452380.804 1513597.314 3410858.25 1127187.386 65684.41945 2060921.484 7138463.656 3758030.534 8409666.155 46238170.19 2206606.076 3802330.035 5310030.797 34504454.11 29803176.95 19279692.15 35597895.5 20237080.88 22323636.18 33728596.27 9188408.757 9728950.983 2876141.927 10554237.79 41587310.82 670927.9357 23300710.78 10188876.16 2541738.802 3310907.319 2221592.069 9924781.15 728900.2458 8741866.759 605774.2071 223693.7749 4116366.948 2858763.882 3874966.177 174397.2898 1269118.855 156423.9263 450095.7773 2061133.15 1031679.656 8081194.8 1556172.842 120507.6644 2240402.359 503227.6712 1780794.719 469969.558 191443.9263 110148.2422
Epinephrine(OrL-Adrenaline) 62305.54056 371217.2519 42305.06337 9916.9927 124617.9302 33939.87379 208773.3505 56406.08911 67630.05136 100271.7589 140441.5119 54148.91003 122942.8876 110571.0286 150380.1355 53603.55669 195960.4771 419383.8175 250121.3624 115102.2847 113745.7035 61889.73111 115871.281 125463.3399 88223.71573 195393.3321 40762.19395 72478.60414 64458.8243 27217.63945 116127.2481 85954.75132 73642.15485 98552.63964 102656.3264 87694.86098 94501.60888 221117.4357 189280.9312 90754.88224 68633.26047 122314.3514 823103.8489 67775.43662 172326.6718 51569.53964 51494.71448 74566.98177 127790.5401 164847.3039 315787.6755 100324.9887 61888.29863 165622.2211 232117.1485 64599.6935 63704.69197 160801.0512 101223.731 126809.6815 102492.0354 96915.35202 125421.9758 78118.87618 103141.993 72530.42639 115657.3055 13791.60965 45792.6509 31715.07109 123653.3468 14013.72205 229672.8707 25575.58394 145742.7983 62913.5933 169538.1181 97338.61494 111999.2163 1533.912563 76597.20615 28065.76323
ethambutol 167818.6434 276752.4268 114907.7075 10983.08011 455649.0263 55272.60699 99678.0183 123916.6874 302432.8265 120156.7815 106335.1576 17603.67432 5667.198053 90678.42727 50561.01289 44580.6282 73033.54834 81024.3192 281966.7512 52701.43098 40910.05988 313229.1039 93692.87601 245025.5528 106345.0586 65252.17014 24732.64173 123684.337 1045294.377 393272.6195 78900.10311 271584.3536 75499.13654 125503.001 1558779.899 112964.8533 295767.2396 71250.06249 90909.36708 34848.09051 28164.04708 24678.21324 197385.2522 499878.0377 117546.9034 203401.8465 22169.63879 170600.3979 82578.86896 46389.54511 36202.05204 27071.5875 25936.72161 28919.49826 43511.10697 41087.11578 53967.39993 21271.85128 92581.61162 73776.33663 70793.6376 51821.68832 57306.21678 68035.18972 105470.3451 55389.51469 43016.36324 261890.8744 300819.9983 1207133.364 568768.6329 80300.01973 126347.9208 18708.0829 27060.59007 393507.4543 228865.2975 284097.8597 184579.0804 23045.61102 9549.096503 8656.538066
Ethephon 171147425.2 156302244.5 297466741.7 283850522.1 563418710.3 145916693.9 115944711.1 205074645.2 106954286.5 330840068.3 136818432.1 282745303.3 259444464.4 390966675.9 145141560.3 314227913.3 140865893.9 106879908.8 245486623.3 309739540.5 113728324.1 191056224.2 163965204.7 151861508.5 110023699.5 98905681.15 121741294.3 111982991.8 111670539.9 116552368.9 217430170 275188351.9 173222434.6 162807222.5 103689878.1 83595796.57 137775220.4 260281503.9 224171484.8 91312108.47 143570587.7 158563523.8 166489444.2 236036371.2 171956864.5 155611247.4 135867574.1 192953308.3 131130141.8 152833014.3 141608472.8 94017674.24 309890334.2 232457153.8 272704625 150741788.1 143336621.4 108254243.7 353694242.6 188773352.5 319709039.2 94132838.89 320642174.5 257934223.1 165545735.2 170470531.1 129596136.3 365666917.3 361793168 187805722.8 250121668.9 136019099.3 188551537.3 235562947.3 145197450.9 169899306 123576539.6 152445027.4 160466098.6 26479304.88 42831635.06 16875048.99
Ethinylestradiol sulfonate 797254.8443 463909.3598 93567.59924 195838.7652 554494.5557 223804.7659 279968.645 161734.7943 68693.0762 235092.4518 60278.90944 81808.99948 119048.778 38175.63914 323323.3572 130740.8066 69242.64642 164554.9909 193510.6856 60219.57117 90731.69207 66004.24425 111635.2859 413731.7368 482579.3945 140291.2472 128779.5596 389601.9202 970191.9633 232201.0309 1713164.457 806262.0226 344962.9126 3357555.024 3793757.541 299610.0855 38171.23695 130669.6695 439616.9632 271260.0005 146674.3593 166154.6375 355246.0612 87544.98413 43375.27757 98289.7491 75979.4672 338818.2205 133603.1009 128894.261 127901.9532 79041.20176 161588.03 734624.7823 63831.5447 159175.007 97371.57894 150510.7408 516133.4106 170823.3395 129657.5768 32764.22546 652678.6456 364794.5546 140109.156 433150.6365 20914.7715 149756.7541 1621274.91 437415.0433 516923.8716 37446.24487 43891.50549 110909.8336 141500.587 199744.9799 328664.0059 128148.1315 75834.30222 55879.77614 17910.89202 86606.82794
ethyl 1-{[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]carbonyl}-4-piperidinecarboxylate 27045860.96 30173447.58 22658549.38 92812544.9 46668281.8 103765033.2 53551033.11 161035879.1 66920722.65 85711593 25492152.48 22511073.82 44539790.3 22885603.48 37545655.57 20648455.06 89628372.78 57475617.93 70013390.16 120592137.6 17223911.98 24976491.05 22286939.87 26109365.95 26765564.22 35657093.41 63860876.31 58344248.18 23024952.94 35185024.91 131734498.1 51619554.17 56183670.16 85011036.84 35674920.12 29154640.31 94916951.78 49266737.46 59932488.73 14173992.42 118898962.2 25350897.27 11431809.08 22831857.97 28806643.28 22533425.21 17232039.32 12811554.44 11292465.22 19538249.63 14575855.03 5743401.494 49531026.21 42514939.3 35582840.78 39584244.13 25899690.77 96956317.74 130945514.8 81859322.41 144763533.5 15651563.51 58035785.43 63487931.05 97086525.75 63622289.42 42622432.91 126726849.4 100689183.2 110057441.4 51426234 224757479.6 62803869.55 96195690.44 66362197.86 85794810.56 27740484.53 58643969.62 28136902.61 164241.6648 88316.54892 102001.2667
ethyl 2-{4-[(4-methoxyphenyl)methylene]-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl}acetate 170743970.9 48144829.4 64877625.43 73695891.88 124206663.4 74346166.58 21742588.96 50127405.78 44692439.14 40918663.43 31663369.64 20352609.37 19870380.2 12802645.89 63748937.46 23653750.13 48500488.14 73174149.88 17789275.59 52314723.17 21133472.08 42077042.97 86107418.77 111516404.6 69863134.39 76565733.19 85545616 91401172.65 35187291.74 107567557.8 120155960.8 88460928.64 173544049.8 63834614.58 130602141.7 138910315.5 95907033.19 27853372.38 57894347.1 42987392.78 55537106.76 75330808.9 23384404.77 18849225.15 22306068.74 18743195.89 24445413.06 31848581.17 44745182.91 57326325.87 22857145.77 431447058.9 510743826.9 607981751.9 96250637.98 59896789.72 44536851.1 43240116.31 20782637.03 93793353.5 626284397.6 217547741.5 312483694.6 149083329.7 111052581.8 181386221.9 152724992.9 173699322 188992479.3 83054500.82 137577649.2 157734683.2 67577553.84 72145463.54 160324113.5 87974640.36 93382313.39 99752947.6 47289866.16 11051389.94 14489325.27 15063306.67
ethyl dibunate 945959.0446 30717.74599 1271974.119 1455939.805 1441767.737 8755032.872 433811.141 1019924.479 497129.5031 614236.4914 2088490.683 290318.2794 1379412.369 411069.2847 518040.1805 479593.9429 412563.4334 531156.723 453151.0836 902181.0973 1836197.501 323673.7184 2207294.318 1589557.587 739234.5337 335668.0462 688360.5741 5184950.413 776497.1237 1518575.943 1613960.286 757382.6569 2451885.807 1081791.46 503881.7103 472344.1424 608633.5225 154660.8247 1112259.547 806447.1769 1114956.685 185317.5779 731604.7065 410164.5769 195209.1543 984929.4133 490814.2258 308178.5348 1302613.209 358032.1085 405454.4549 864570.7564 3574465.367 754438.4975 1268529.605 982132.0525 295634.6469 612770.5771 551474.2911 1278306.727 1576246.953 878572.2295 353081.9365 1951645.605 3835090.482 198352.992 1981282.214 412707.8714 6979277.241 845594.1887 343060.1138 1334165.676 217058.1948 855486.3306 848465.4661 7102191.14 1079187.951 744121.5865 1508293.738 119360.737 147357.3277 104460.2502
Etiracetam 409199.8665 1129878.276 642336.8684 83920.79585 449154.0487 288878.4601 13214963.22 9939833.152 1817110.004 4978987.984 3874039.369 7475661.824 4639788.641 3275749.035 2966465.324 9268484.419 4154237.731 3597856.09 7470451.358 1625823.719 6582335.603 3994901.346 4626191.212 1057097.879 3545428.102 3394851.794 1012588.446 5577060.878 658549.1006 3819921.647 86685.96011 220039.0681 672468.5497 7770180.184 4283634.59 9749649.496 6459118.355 9854503.927 1296012.716 10382019.28 6379928.864 6784025.66 1955284.314 5547542.232 7433055.899 9213629.744 10518187.98 11388936.43 9297587.601 6981113.784 6939985.05 4923724.404 6080754.565 5247669.721 4811792.108 5185470.029 6749851.48 1959528.917 12109986.76 11211117.43 4345673.632 6365262.797 11960085.76 1227679.177 5398524.734 6099768.005 5727933.296 706769.7679 1906435.097 2152325.175 302169.6269 1570776.361 1405715.978 415272.2985 1205792.799 5629914.204 2146166.971 4127647.913 7634549.652 22803.72601 1578181.133 253767.22
Eudesobovatol A 14557.44632 35079.2135 227193.4504 91895.4938 156853.5377 307957.3222 22304.65045 442982.1533 307072.6227 7965.386302 320606.4141 55481.16332 22498.30795 18336.59745 334716.0974 84488.72177 16485.04465 125015.5677 116200.1425 36614.32257 11359.62234 6161.416369 6498.065176 114407.4528 166215.9301 542503.5407 650108.9069 241764.3178 70117.50754 7761.391553 75371.09926 67862.37069 108010.4566 1008969.42 30571.02411 76220.76982 19414.01218 67426.11888 468426.7418 121706.9419 208101.9406 23318.8012 53481.01577 7975.29089 14583.8498 160593.053 39665.87402 73460.13639 23886.75835 34706.89212 117282.4882 3003.709486 108321.6332 178724.4883 69506.84079 82869.33301 103510.5658 10968.01507 20975.66494 9328.345317 177198.4053 31562.54971 168697.0285 96241.02977 453428.7487 10283.27837 19146.49571 864718.5854 326148.9386 215915.5631 93071.40057 33797.59636 6200.635282 18162.84269 362719.1758 36913.03956 8094.701102 32791.2156 8644.44628 3700.682909 11101.88036 23959.30849
Fingolimod 357005.3905 594690.1164 125725.9556 745245.2373 1312991.785 303293.3318 715970.9157 280655.1224 104536.5207 199578.2127 263595.5404 5543.33614 32098.20792 149428.3434 43505.64336 107214.6684 81916.23045 148376.3956 176662.6269 45084.43266 300121.7668 189144.2782 167142.2426 106697.5857 159217.207 57653.73745 221652.5103 142453.7517 87128.28248 108928.4656 390427.4117 81126.17795 420577.304 93030.38455 145393.132 198658.0961 711065.2032 438682.5892 100641.5947 295223.1811 100372.2793 31320.61732 225792.5139 49538.40247 35577.67703 108683.5508 55171.70247 41108.8375 130657.8607 77466.89808 95988.72928 273799.2019 815517.138 717786.561 808768.406 76192.34375 416940.721 228562.4266 962744.5756 759949.8864 1030599.391 247329.8146 311098.4778 348905.1765 900097.9068 21290.77278 618676.215 206367.5984 347960.0337 637871.8988 154214.6538 513012.0173 208581.9897 96022.20419 193044.5747 398530.0793 665319.8076 135686.9505 700113.3174 48123.62376 12434.67312 10458.29572
fluocortolone pivalate 4615229.851 1286602.849 4743047.933 1387967.206 4952462.156 2810844.441 2317770.804 9097971.823 491407.555 2797630.996 251654.0448 846617.9801 2387706.045 1493112.408 2624481.788 24482241.12 1893545.529 2101626.13 602011.2697 861069.0815 1128764.236 2488969.816 2542584.861 4512983.177 1035303.119 2915465.024 2460831.531 14804723.92 2552891.87 1768892.164 2974623.632 12397379.79 1802813.252 3640236.638 1888525.186 2700129.312 1436162.139 721707.2608 1766605.796 1119886.066 3915697.834 3687690.638 3900981.688 3441230.534 1708106.912 16724538.09 745070.1174 1744518.505 3722057.053 1025891.42 1055325.343 1893864.075 3489916.048 3801556.781 4834434.518 274382.9415 952839.8432 5156644.952 2459374.245 3655852.767 2083006.153 588602.7476 1248667.125 1433604.52 5835633.138 2243367.396 1398056.784 2164991.08 2899419.362 1426737.752 2251504.404 3990993.33 1886986.362 8122053.98 4465891.614 3908007.906 1900574.556 1111529.404 4984468.417 39396.16888 17033.06157 11449.14763
fluromidine 2326.091218 62839.09585 20985.4501 2049.145086 2530.146491 173750.6401 614901.7688 65924.4872 77870.02896 131447.9806 74410.90389 207020.1256 198385.4306 383700.7035 192266.3454 263653.7315 97506.94467 51717.6117 291922.3394 144129.3404 199354.6489 79688.30495 65294.51742 122009.2861 115865.2937 130346.0729 239290.5773 268333.4652 30843.99078 76581.81269 60197.4743 23859.52942 25547.14909 28620.15922 115216.2586 195268.9973 79749.49754 428998.2796 7161.667329 221833.4302 181146.208 123062.8746 266925.1173 175620.4195 61370.69156 286767.1318 85543.16345 89656.45339 95150.1426 667312.9316 109705.3633 127248.6821 170789.0396 26318.50595 122846.2253 67602.09167 147542.3308 102513.7493 79129.40445 169077.401 24642.23795 474613.6629 283484.1028 10639.00087 96538.22142 57409.8706 95997.01026 11765.10461 3035.519412 123595.8669 19477.67006 140980.4531 486368.3058 30823.99403 85188.21086 791936.1712 2237597.462 467954.3037 180444.309 6163.885525 44752.1151 8882.714713
Forasartan 123061.4139 349869.5428 236983.7124 390241.4843 334237.3705 755759.0747 6790.796676 143129.1726 69192.61193 4372.828246 21172.33661 2910.611727 88132.68716 27257.78763 3718.492018 182782.9876 11643.65901 215331.1642 119972.0459 788461.3361 2681.596836 13073.85366 65502.4716 10684.05498 147637.28 16210.70273 150664.9739 739661.612 60288.51691 22952.97301 60468.12473 58691.56674 9861.724416 236051.5227 89338.69509 248412.0448 297086.6492 409986.1453 2089060.002 10707.40763 191870.6938 13261.32597 32855.0566 38945.76595 76938.43984 185157.1569 123697.9007 145199.4341 15402.00573 8388.228366 5001.461166 28387.01191 319085.4597 372859.0662 2898.754737 59619.07255 10922.08689 9342.989458 21623.64557 9326.458595 58464.53682 3028.474303 44510.42151 217013.3948 699647.6958 71279.38571 12537.19823 516894.5843 8599.235485 86625.13917 19452.30342 1161497.144 5595.621606 16565.30734 149726.1957 19449.19439 5122.433913 6081.87484 72934.85416 1815.176763 2590.070717 2285.937305
Fumaricacid 274467.9738 866818.7985 61710.64496 232691.0381 258170.2984 661653.269 80428.37332 49832.95966 215477.6324 53152.91957 66394.797 110127.8568 89780.25097 40915.30999 96447.86897 23630.24312 55757.52129 37323.52213 177212.6237 1355021.81 106965.3045 67838.59026 140485.8045 102090.1435 102651.0474 164188.0796 74037.28578 78998.01761 63208.01558 135966.4361 463646.1414 1073498.464 171813.8213 43885.54942 109631.4702 82458.54481 235374.7053 98390.09367 387166.2407 82450.05889 31564.71958 140096.7287 222762.6868 130007.7434 98015.10052 126169.9078 85351.16851 102819.9586 102713.0855 90111.6498 56001.55438 80184.26436 149705.5649 240119.5757 79385.70483 44003.90886 97263.06509 128818.4164 115350.3909 86603.66937 212680.5464 131130.868 174174.4727 577432.5375 93910.34545 58869.71526 75302.63386 257641.5785 363532.1256 166519.4176 347727.9635 337916.4294 140706.1823 441012.3035 113864.9317 947655.1576 140727.1104 55404.41767 105368.1271 1318.325576 105234.1967 102774.2816
Gabapentin 3440559.255 1474333.709 1901063.22 449274.4864 2966383.59 3970496.402 829250.4881 614713.3915 1870396.439 542838.116 900762.613 2041787.248 591071.0062 603524.8834 1046563.793 780379.3573 549521.8797 1084364.339 495975.5012 672684.0659 1957100.568 441754.3317 1722326.71 239837.5663 1124010.943 1011109.461 1159525.079 755847.8336 660342.7797 2021973.525 1210325.458 749379.4589 1454748.438 758959.1082 1363063.95 533111.8967 3238762.52 882264.5133 1418804.281 1177108.565 1042835.69 580051.2111 638838.1955 365092.5663 743884.7017 172468.0184 334410.1228 1648391.721 654456.695 493458.5663 439595.4298 2272928.413 1325552.938 962488.2909 1809849.628 1027626.614 1063507.971 607416.494 382840.9479 1597356.728 1064640.353 1300220.56 540999.5121 1582475.809 1491359.749 1443591.926 997990.2539 778602.2965 1434323.726 1783399.149 1688930.155 740390.8674 2818236.132 3371506.118 3194373.81 1203249.767 1366215.176 1230870.701 1608062.464 202415.8774 179382.4681 123552.8549
gamma-Coniceine 575606778.2 965581753 2252316532 815698706.2 411752743.1 231776305.4 457614515.3 688879661.9 248988714.6 135204548.5 158446739.1 204680687.4 188974952.6 131928116.1 272081066.3 107147140.4 117707172.6 115650259 115704349.3 193065616.8 47890255.89 1996718676 315537762.7 544966321.9 455744059.6 677459415.3 373358552 473242869.6 402639506.8 314782137.4 715105158 560161825.5 978045494 340540979.4 278782439.1 451724109 204090550 266101157.2 549836626.6 211518617.3 239037401.7 86396581.37 226562777.1 172240134.3 191267533.3 130810152.8 105713257.6 119850651.5 140710281.9 123061326.7 76474251.96 86798332.75 77285711.45 81208242.24 75317318.02 113049831.6 105106958.7 159909159.6 108295210.1 88903475.71 101341328.4 135081001.7 114237543.5 771164490.3 403307691.4 550681898.2 269691002.7 164174146.4 158138979.8 299594846.7 188842603 169055430.4 190910996.3 217011445.3 133925617.2 187915628.3 159637877.8 197147304.4 137896931.8 26645444.42 83179563.44 51747100.85
gamma-Glutamyl-gamma-aminobutyraldehyde 25587.59781 131650.2546 28218.35007 7305.443654 37221.15052 10861.27652 81585.24773 147938.253 117104.3576 437049.4883 223088.7045 56047.39925 70415.2144 66514.84237 183800.9376 73708.97713 440294.5226 97731.22503 54325.52705 68985.31464 156400.8727 62137.67385 70258.45981 51595.44388 60200.52296 44247.90999 56326.54521 148944.3393 58614.69224 88865.22534 131351.6707 31245.54718 67231.8862 54392.02192 87554.85995 91622.95649 145993.3068 170920.4272 78201.69924 91560.93273 93313.35418 79930.94121 138778.8067 91945.25477 96996.64904 62355.90448 159840.967 172686.8508 70795.23052 53385.65397 53392.49282 79887.92556 237344.4779 1315094.335 211946.8478 87332.57018 118134.6329 133193.0373 68756.71463 62793.6952 699419.5185 143267.3763 882666.8109 11053.64319 447131.3556 49114.91447 499959.9273 16074.4666 26095.1096 94166.95066 116554.4341 245402.1106 183303.2174 20864.18471 140529.485 157817.8234 202691.0315 76187.42864 146661.0257 1578.90228 20743.47068 2641.381296
Geosmin 27440.77574 10429.96634 4918.00382 156754.245 682500.1088 34242.07019 11613.24237 959798.2927 6717.520807 44965.20421 78196.89304 1208386.21 922963.5649 79930.14601 20849.07766 70153.51995 258934.5617 257769.1143 29115.54774 86746.62941 156300.2952 61745.57954 34005.38063 265928.7318 8493.272934 7584.078835 6827.198126 11226.54415 5149.900769 24562.29651 14473.86694 403743.6534 5940.855244 931603.0485 32037.35843 38089.35754 360190.803 223907.5795 308190.6016 145693.8195 426698.4726 9103.41239 150299.7425 122109.3411 82651.41297 152387.7265 150057.8739 31839.59714 44972.0619 79414.88376 116733.0643 47107.70529 373281.7329 133679.5928 20792.42334 86660.68149 5810.858443 11760.06662 6987.073371 264536.3742 207786.196 33253.67799 32526.09779 267937.1314 355575.5934 330075.6187 51503.00223 287398.5847 235051.6283 58819.75756 198879.5756 523605.6642 106753.2763 138415.4256 11899.13982 9505.858084 5504.698279 652226.7424 82508.78601 9237.516796 1696.538236 2007.40595
Ggamma-L-Glutamyl-L-glutamicacid 8364255.286 2788855.674 1112602.212 40150589.84 7194314.457 37548006.57 9401703.958 6042489.526 7600668.14 14215998.51 8371174.569 10251917.97 12222955.77 4316059.105 5830820.512 1441640.15 10745098.86 23014521.02 22363048.17 7905254.1 5650286.415 11945401.67 6311984.11 35111668.94 2825198.825 5891864.588 12487424.23 7219018.871 3831089.831 24712848.41 27135230 116208332.3 6660550.362 17166971.27 21953707.23 2426633.533 8199644.914 6339801.117 7151156.632 5429735.395 34756959.43 4340022.035 10073160.74 5484639.178 3332768.079 7199021.539 8416267.595 5070281.863 12867008.22 14150638.25 14152725.99 559452.434 9539665.476 8766727.93 13027837.17 3565627.443 2778972.911 6690413.44 10124656.13 3586743.935 48063077.72 39066080.11 93932957.15 12378123.32 9628556.854 11927495.21 6013040.958 16591945.12 38632871.85 11281391.95 4291025.236 27706701.93 4974228.859 14232721.25 2388662.344 4545716.193 11572144.28 2696530.909 5415142.167 1279696.437 954238.6759 1314743.333
Glabrol 3038214.649 4235052.872 2037981.373 97341.89831 7059526.086 55724152.46 4554267.438 10111157.33 2021066.374 1754506.72 1309558.295 16789502.51 2262912.944 559983.2036 867684.4219 1352652.768 647984.3274 968406.8467 1112568.453 1956781.946 1492841.262 1710331.392 334810.8831 1255229.674 3313587.937 475117.6327 1000776.484 3640779.644 2256410.505 750156.7825 2767861.667 8052004.165 16238742.35 2082541.056 4878378.142 4403181.992 2701890.8 1283139.183 14957796.94 2235836.437 5060124.563 1859321.004 1684667.128 1966611.509 1110716.674 892134.1415 1889827.56 926991.9884 1750461.623 1550084.8 1045930.524 873751.4728 9330035.141 7405207.85 1696737.558 2291607.217 599533.0406 1199857.909 955223.178 1492045.487 1250952.098 3237506.598 5182127.803 5616496.976 8687609.105 6691466.873 2509537.175 7882754.801 12442083.27 3597259.909 1843327.663 9017494.494 4606949.741 2052870.647 14763075.18 331263.1054 2365515.287 1677314.025 1884771.727 782184.4377 1354434.772 555390.6379
glutethimide 44594.30298 44180.79761 65964.27038 77111.74365 120921.8768 14864.93816 97500.49775 147938.253 117104.3576 437049.4883 223088.7045 90329.33485 87485.50581 69675.22694 183800.9376 73708.97713 440294.5226 101043.4627 74120.76842 94414.54084 153644.2858 85042.73665 84097.44003 74169.11588 81937.97738 71026.86205 85188.66484 148944.3393 125750.0405 136163.9997 249006.6692 35603.75746 14852.26113 75954.72818 100254.0771 119399.1409 268675.54 244678.4138 253192.5689 143455.9319 93313.35418 126801.4566 203159.111 91945.25477 141117.004 69607.68702 159840.967 172686.8508 112183.5958 73417.52225 64155.61476 110760.9758 51831.07791 354379.7966 211946.8478 134629.095 118134.6329 182290.3835 94101.67476 77257.51661 1148878.122 143267.3763 279859.4046 43837.03225 200056.7157 74479.37094 173659.3905 25821.76482 47864.89992 128878.5803 35692.57145 251570.1632 253974.6884 92301.62192 186120.7245 252026.9243 321901.0946 116790.952 180539.2618 2271.566867 30823.96748 4046.362187
Glycerol 5-hydroxydodecanoate 44230628.57 47113148.42 38702351.29 52552860.78 56975084.04 71620493.59 115654433.8 49530124.87 29306415.4 44208637.09 33480332.56 49586007.14 78819062.09 30237286.05 66967134.42 23206143.89 59228551.87 35842466.7 49658936.34 71313660.38 32022882.69 41692837.65 32915419.17 44234580.26 91768458.76 37010032.59 30257970.77 37450719.23 58136438.08 39503607.34 81603436.78 56309283.2 42915965.11 59327920.57 50066564.59 27395492.76 38038240.75 47326172.42 116231175.6 33401461.17 50974666.88 50592016.55 33732057.62 45302570.79 74612825.92 50851431.47 26469373.49 37537446.47 28593472.49 96395166.22 166694740.4 50182557.71 40002074.05 45111055.32 29122785.13 43519665.28 28185550.96 50358359.25 79139716.46 29036364.99 33072862.06 36391035.07 35890545.47 75629815.81 34508073.76 51528378.08 51745197.01 41810188.77 79510354.66 28914689.41 49919219.2 30918650.56 20910380.28 33417095.01 32794044.21 55648788.95 64514203.36 31684507.64 31135952.16 12502518.04 19112660.51 15884316.92
Gly-Pro(Glycylproline) 69647.36394 373798.6251 18032.49023 366413.619 139302.384 426698.5279 418483.9645 289105.6814 370360.241 380935.3037 611363.2986 347223.1944 118338.3969 168662.0181 240804.5264 227484.2695 1165147.485 445958.4467 305054.31 202085.2955 339106.0253 285850.0685 140483.4761 319565.2832 161591.6239 428950.5735 388952.8989 243902.6825 142196.3195 44354.96161 112103.2465 102544.6705 195774.7278 1146514.374 950476.4011 305957.7333 232096.8165 239079.6216 106386.4347 341569.1005 339337.2437 1233864.571 359354.4496 1009287.113 1786770.58 225887.7888 236662.4827 1271508.159 846373.044 1039526.208 335753.7825 176639.5838 148538.1212 231302.131 235341.4837 761908.4592 161621.7459 1473730.237 369181.8291 281552.4305 165547.113 949559.3081 363715.4788 37547.5907 244669.5728 98773.25331 1341074.326 60617.4834 79081.19917 65860.14035 130001.3981 19062.67603 243437.7364 54313.09528 162916.5179 144266.5534 260633.8815 216551.8226 201233.9871 1953.942015 69088.4096 17629.141
Gramine 3480.913184 50253.26802 43220.7817 4893.979737 195171.9919 5135.4862 10195.05652 4189.52623 19567.91823 59888.28791 47382.16431 7398.269623 15983.92246 1033.14848 65095.38503 1167.068724 16792.97806 2735.656756 35439.26379 1976.673726 18229.22186 43036.11429 38647.60814 85894.60649 38155.98531 27590.02121 6606.476818 36271.6952 30611.91558 208849.1248 94862.54619 16120.14886 5826.621349 34672.90836 228691.8663 4619.705897 2250.003522 15251.16421 28825.90495 1995.157707 1707.426763 28388.96272 132776.3896 10573.70204 4457.153692 16688.93847 6542.497829 6903.583941 2313.637393 9361.171765 9879.839917 5206.443238 11557.21243 12886.31578 11230.14749 1686.264483 9652.316617 2457.289707 93340.61248 50221.23374 1270.339257 3173.581359 37264.68217 5962.588763 28821.33213 2587.396381 11525.66947 42261.77411 2719.479786 15978.15197 253439.1206 3629.580825 29453.21136 3636.446376 4514.695991 12619.36946 52408.00499 20905.33954 2110.401036 16093.63996 4310.293274 4120.978034
Graveoline 1121145.393 1784842.234 237158.42 5366048.113 532056.503 2928757.429 4995103.809 238749.4733 401653.984 2801141.305 409225.0514 102936.5726 36885.42319 92542.76773 508547.2491 542680.2145 497757.137 3102399.551 250600.5168 132784.615 424734.3444 2084129.185 184068.3725 929691.0236 992132.7344 1925290.191 114853.7429 1112533.49 287646.2872 920038.6425 1354349.679 1673731.953 621993.2528 468883.5396 1796383.412 4757023.228 404065.669 267016.1678 2080540.131 703657.944 99756.02175 284605.7885 361038.8884 761213.0747 377697.947 462279.9939 340470.9267 687052.269 732112.5265 3180198.53 1832372.151 923348.7706 243683.4537 358007.6997 510219.5192 5757687.361 1508803.296 4290205.829 2383763.794 1519465.612 732856.2122 1631278.172 579827.8151 3026324.783 232554.7596 1934299.229 276765.5701 175782.2756 401859.8246 291796.1537 130323.6977 25966.13121 209609.8107 426974.6074 908080.0706 1748168.433 582467.1911 683432.2399 327732.0558 333531.1252 194356.3952 159016.4381
Guanadrel 237965.3328 1899651.711 446867.6992 104835.6284 832353.5019 192195.8897 4992905.751 5720982.288 2354107.044 5703486.245 3354298.877 1661239.204 2117126.387 1560652.402 4387726.915 1412740.465 3743950.191 2571120.226 2586185.567 1215040.151 1625056.558 5308010.11 9693944.237 3125460.888 6957892.71 2629488.161 4017170.329 2139686.711 1354701.925 3352312.36 1111402.793 2898132.659 390811.2082 2287653.529 2269253.705 4591116.4 1311476.795 2532211.536 660179.4809 3733935.473 1902426.41 15134734.07 4116121.227 4742272.171 4986802.87 3623071.448 4646824.617 14400477.15 7341527.016 2578956.819 6901990.422 5411848.104 1548303.9 1836505.465 1572226.259 1617784.855 5088993.83 3415441.823 4254444.594 2647451.433 2994672.99 2380685.12 2868056.74 489848.0512 4472580.436 1022059.781 2045502.783 172523.853 245692.7549 346343.3705 440884.6807 657124.7417 3009563.866 87729.87846 3602132.556 3919132.481 2384772.058 3140807.81 4364475.502 283692.3968 1843248.039 123874.1907
Guanine 1279946.653 6694865.237 2406779.083 3675783.772 2513403.424 8543412.51 28483528.3 29215539.57 20527648.82 1110445.324 10454642.33 24497618.39 18377810.4 46329925.12 23330139.14 41310715.48 66937422.7 3941071.038 1043897.495 19227990.08 22980277.75 39860815.31 6195702.832 45280594.84 7333905.426 7864106.83 1992181.309 10583559.75 68515103.65 3193907.711 787780.9089 489192.1207 1482132.733 22678044.31 17994285.7 28584516.98 15158553.65 52586406.63 10101354.44 18499529.66 8449899.904 12935432.29 11598361.68 23451486.64 42730374.29 48062640.57 63160390.3 52819094.79 13588909.12 87952556.56 11722734.56 40572638.8 135514624.1 51873353.49 23337621.2 17677235.81 8237600.75 1536627.639 6055210.095 32545129.11 55364777.73 36475339.31 5516650.499 3391379.23 97451245.16 16620761.55 31751116.96 784108.0767 2833342.065 2313191.952 1343036.454 1269163.296 26381864.56 3573706.094 1942934.694 16284705.11 12871104.17 14112814.9 13551965.01 3203.108285 42049.82632 12703.18349
GW7191000 7423565.813 6342918.484 6268326.49 6725157.39 5503615.745 10175185.82 1879759.074 3236225.868 1424125.74 839346.2431 2388971.805 1356673.052 2148346.964 1523476.631 2408813.311 1107293.838 1878766.638 4312167.372 1236784.334 2416900.291 571456.7507 1730351.585 1213322.441 3150639.476 862471.6996 2274362.227 1967406.347 1391845.066 2038928.234 2527749.195 2262432.811 2273852.433 2990554.447 2477630.703 746568.0589 1432583.624 2110918.445 1440279.661 6041593.113 1514148.359 1677658.245 904656.059 1475476.21 654764.2476 560328.63 991597.613 788581.4903 486848.6646 883361.509 625244.9984 1120684.803 594707.4571 3062510.409 3577094.581 2126952.551 4296641.868 1707708.185 2943392.808 2550475.599 2595609.651 2738143.555 3750142.47 1684014.246 3945510.494 3113572.737 3718518.063 1386975.954 2114270.576 2961338.284 5537215.517 2043889.638 3011474.734 3469182.033 3986337.687 3376898.613 3197514.334 1445797.338 4548937.136 824877.6907 284472.9124 466468.9342 354676.6666
Heptaethylene Glycol 113618450.5 35817257.45 130120989.1 54434319.29 35717379.91 124476432.9 26639866.89 48802284.93 36962644.39 19360960.21 31325252.24 33127875.14 129161647.9 122766319.6 74222771.04 104112044.8 156971251.9 36415530.17 24203862.24 32298283.13 10478511.04 30031112.37 117855407.5 76165014.3 65560024.58 20553638.76 95207847.7 78444740.72 24697414.34 111946529.9 118744382.5 174985692.2 46424300.43 82853303.29 58623768.27 113151486.2 148979272.9 26240110.26 60674307.02 78370936.83 56348432.62 27748265.28 54105467.04 30041408.81 42622258.6 41865664.05 49869905.51 86417535.2 61504308.73 38101566.35 76397792.16 628678209.5 1547572526 195447895.5 92250909.51 70514088.5 34330406.26 23020581.04 30284907.4 20755904.13 1205563137 653861112.4 286932090.1 258119193.9 176559177.1 289683076.3 172163389.6 67520427.67 92206712.27 52427753.62 90513496.75 120491670.4 88507592.4 33355537.88 67774745.13 28282547.9 77352794.57 85046006.94 26823198.08 11732704.6 29349053.03 14431243.98
heptaminol 133133.4305 414098.0781 6000249.361 1434079.689 2773289.687 1640141.272 130937.0636 16333.21871 77864.16973 88427.7806 79342.30392 92675.29602 164816.656 624939.4224 41533.71077 1191329.48 66419.42374 325141.3516 102971.6069 759326.6104 195245.7455 112151.0562 421648.8311 226072.3086 60444.75299 31592.59627 83027.26818 21344.36703 19812.60567 144364.3271 1934840.506 42997.09266 162168.015 525821.1375 323594.0516 98673.69873 479875.0744 580551.2981 681108.7109 781468.8228 1230767.002 120006.5441 15972.27215 191458.1672 20019.80145 53189.52988 63637.72528 51678.39322 30489.56494 47952.15907 425785.4485 33612.45977 592050.4047 63794.1133 610640.6615 341932.9587 172463.0753 655607.5339 771640.8432 562757.1722 625281.0662 222261.3098 106512.0469 108812.3994 36745.357 896162.4832 525491.556 385344.4521 1071924.376 38454.78977 50175.04101 396099.8445 59233.56251 531843.3007 16124.75651 141495.7393 904349.1128 29393.25445 61572.48117 476913.9014 104890.9609 69606.66703
Hexadecanamide;Palmiticamide 46156889.16 51923045.78 28742138.15 37985782.89 66509217.57 44327000.4 27188032.07 45625436.8 78343882.88 19667874.71 56081407.11 25108797.73 36068246.62 24227641.95 38522759.05 30318459.64 55684026.5 35003358.31 41178616.86 50489829 46338830.41 61879769.18 31405445.94 45980367.67 28579237.52 40667534.4 24484265.99 30966179.94 26497391.06 40836706.84 24922091.77 47138675 89963581.66 66877123.22 40947546.9 69135697.18 41793096.07 36120634.69 88136799.79 51286657.58 23782648.1 30417816.71 39328933.98 29469186.87 31500293.14 30876280.17 38434745.86 31030225.24 28755763.53 29569769.91 163843433.8 28741766.62 27416321.33 52348555.53 52140956.82 33291382 57856128.73 75355795.84 54943509.5 151635451.7 67541022.88 38184188.19 53666107.01 28540075.9 28789437.08 23576743.11 40293580.38 45995019.36 64107537.97 97711375.59 87607847.34 46793432.25 90270542.95 63037639.71 65520686.47 71295455.08 31282013.11 56565093.16 50769341.71 15069383.81 5701145.95 4601899.97
Hexoprenaline 57663.16421 61590.64843 45235.14777 2582516.336 265656.1595 1132608.294 120644.0079 153951.0256 108266.6851 656081.096 39651.57852 1252255.015 491796.1799 62768.49352 176896.8462 68220.15676 342786.6147 167757.0483 79912.78187 330950.6219 1155974.442 137762.1936 386661.8156 171092.4733 222862.1885 3365725.8 289846.5073 118932.2355 59029.0652 50755.50233 3138567.052 5750438.031 239627.3152 2162537.869 303133.4725 118050.4634 182645.8277 709491.204 642065.7938 300946.0925 437279.0552 27005.01573 48011.75479 158077.6807 636152.8323 111957.1687 479288.0475 84236.3131 115882.0885 223568.5412 3373591.425 18438.22059 60985.57176 13408.20277 98975.83902 411099.4143 129126.3727 479346.014 684598.6574 163229.1995 1123905.246 31496.45942 331670.6216 294980.1389 480805.7108 527953.9427 370108.1179 455053.9542 1595202.139 415522.0812 36554.6875 549222.1431 84239.75992 777122.3505 250958.6207 357848.8878 336997.9458 18761.32964 32221.44035 12571.27656 15781.38699 13683.18704
Hexylamine 223184326.7 358336002.2 528217414 337277482.4 382878472 574691254.9 771452641.6 688455151.8 654686634.1 294545386.4 255129711.2 220973106.4 1122469094 906981692.7 1100496263 291501097.7 507876057 389942122.2 641129367.5 234514036.3 523002971.9 418230718.2 302257730.7 351825319.4 765691696.4 690184350.3 584112141.2 648508777.5 814319931.1 292464134.3 421537056.3 569429201.9 577095266.4 901264803.9 725096594.2 1003137997 740075800 685388970.4 324249181.2 507485888.2 419813496.2 590371762 644143487.5 433048315.8 694357629.8 427292153.7 386836502.2 701705594 530262387.6 771892124.4 433533890.8 608752466 369061520.6 464217254.9 905320854.6 814566997.5 879687548.3 1316956318 1136228960 1000991394 397566011.4 447274693.7 468076321.2 347619783 691924584.7 672913426.2 922702554.1 130566810.4 173826263.6 223956831.7 221315376.9 180241095.4 784298965.8 172020044.6 837452237.9 515660039.8 523247295.3 452071608.9 558039186.3 53904905.96 140729076.4 32027089.28
Histamine 319661.805 57686.01935 151864.4667 1200024.776 129643.7266 286434.9381 212712.4019 97995.31241 156178.0073 53424.009 15199.34748 22758.53354 249795.9012 206072.3319 32882.45906 12967.67794 40601.32332 6304.912077 71319.3812 168543.5483 233021.3693 296110.2945 86793.57411 123335.1205 60895.40111 103822.8852 207589.1745 196001.3043 324639.718 538723.1338 201848.6141 404078.5088 2520469.527 106333.3809 71426.3821 128749.3316 117449.0111 88943.97778 374252.4519 129050.3204 77534.63219 32375.37394 564962.6794 218263.8686 29402.53232 85423.22072 138919.9344 27553.7353 63685.08111 195597.6108 26898.39878 108225.2366 146089.5857 29354.16107 83890.41132 49952.28279 59727.77756 55907.43543 635524.264 81165.88722 499122.4777 74123.8666 108849.9232 169947.1192 123587.5011 15425.42974 362160.229 143889.4345 191374.1936 133198.6483 196435.1269 209481.8379 83076.96777 84364.81483 80384.20721 165618.2777 415859.5478 16349.85663 159685.6159 48777.08353 28063.59773 8974.95253
HMBA 180169.8952 347202.838 414750.8675 352001.553 154381.5543 775939.186 374935.0412 431387.9041 543796.8525 806521.7273 877321.022 176420.7434 149006.5558 643006.2014 409738.0991 1515684.127 332626.6441 1063643.805 680918.1497 179974.635 304937.8933 344650.9688 266727.343 937318.3188 443929.4943 481515.0638 278609.7128 321307.0326 384703.1974 239878.3427 463355.5605 347962.908 406570.1866 1044302.367 843665.9652 357869.0507 963178.3385 312265.3376 881664.6061 504686.3909 356646.2919 1479966.928 1950687.897 467141.9436 2186053.931 493523.6872 441726.8905 412083.3843 390607.3856 440128.0917 899370.8196 288844.1296 210894.5816 208314.7611 267797.9164 281599.5116 470832.7967 532794.7177 300265.3248 414755.6345 334642.3192 274498.694 710821.9242 357086.1972 589671.497 269985.0192 810138.1997 74772.58121 92372.8177 350527.4092 210842.4428 248336.3504 327601.2196 99882.30675 268498.509 304807.8613 355802.8549 454938.2883 735458.7899 2647.970402 65376.47895 53804.63451
HO-dPEG8-OH 15041616.72 22638746.14 4773685.536 15229887.41 18726511.55 54184553.19 19090709.97 35155061.53 12920883.38 15678746.8 11760041.18 8298339.992 56541370.21 16580580.46 13575830.5 21414436.53 44980513.51 35390341.85 15078792.91 11770618.95 27736735.46 14076709.71 25360943.28 74686778.92 35448925.85 6057979.135 26754362.91 13842052.32 13305197.88 59879429.16 40276959.83 47858921 12203905.15 21968931.43 52196920.3 18613930.19 43809031.77 26122599.5 25999794.53 11168477.83 38737621.18 30897656.42 14997951.6 23219275.63 14263048.93 74690677.69 11892764.78 41022710.2 15446497.92 67093992.38 31499346.41 115166429.4 123292640.9 415583995.9 28049186.7 28303729.94 7397631.765 17080862.71 19467872.26 23956161.04 200345395.9 67936731.05 213114812.9 95898481.72 59788239.39 176146847.7 117151314.4 16466465.01 51693336.87 33088378.18 31636734.59 43143795.81 6119181.016 31666457.15 4841267.067 22193404.8 19886770.24 24548798.13 7120415.792 11860076.17 5089887.029 1902416.462
Hordenine 2845388.871 3630585.274 542353.445 531604.9552 5358574.924 1712934.895 647404.5147 857699.2593 294960.7185 538165.2028 1191263.316 163087.7956 240582.4589 340464.4046 551734.1113 287913.1198 402705.0559 290774.7174 1004456.037 338743.6909 501720.0158 2401680.665 433211.4701 2555838.073 720805.0928 1905420.644 513373.1739 582943.4376 399576.1251 1581739.023 447370.7218 2404026.8 917061.6632 958076.3361 1079915.678 496863.0648 1179885.78 522460.7881 1244341.242 910255.1713 260597.0856 297271.4782 629692.5904 223293.7764 219181.0218 434900.7911 310548.888 565943.3851 678858.0745 598731.2374 357439.3179 523923.6359 283034.4707 1389792.982 492947.968 270835.3834 657564.5231 415260.9387 522572.9616 847406.3876 3042931.796 847786.6638 607159.4695 530780.6812 389760.4444 707645.3776 1820678.946 523352.3426 1037354.046 460585.2392 634757.8782 1009380.378 726647.1378 720159.0683 792616.4062 2241723.874 1245587.931 1498398.199 645876.151 107911.2363 134336.8337 78423.21534
Hydroxynorleucine 1163566.93 306945.6124 429282.8635 697760.1366 392607.9976 173624.9261 2016572.006 1123411.985 22807939.16 1250006.547 2734785.399 389857.8039 2023003.112 1800449.757 1686020.579 1744382.32 2455021.586 1285052.887 1492696.911 494596.604 1205492.598 71982.26755 1082693.87 127354.2221 508084.2615 1183655.147 1231102.854 477623.9935 524391.7717 2936665.741 153866.4392 1309501.046 714624.2497 2688963.546 552763.1372 407651.3205 3125011.671 430979.381 5075038.763 6829218.154 1605406.237 1211414.26 1146606.719 1425543.797 1820427.054 4160836.307 1342398.522 2145751.268 1311207.024 1607110.456 1618187.738 127007.9146 1464886.991 847632.1664 2688145.063 2679030.215 4263149.856 805215.0846 792026.65 925717.9954 488310.4646 1170493.271 852475.0982 325491.1614 288901.1783 369701.8761 652386.9549 375451.8985 204420.6528 281903.9022 3690458.564 1288268.93 4308539.181 3017335.047 8978557.541 1027369.346 3272065.491 3328068.221 2674947.15 347918.5589 186089.6367 173694.632
IE1225000 183827.641 2256601.097 579581.4087 540155.6696 626404.239 1445752.248 1328082.4 788075.1781 972879.6154 846060.2197 926494.7596 416843.1888 2191341.481 673828.6946 854566.804 994531.361 321601.9735 780728.5926 1712106.586 2050943.768 2142802.572 1072394.954 666416.7813 1919547.408 421498.8466 782964.1431 1598386.605 2987796.466 2350547.482 1566584.765 796199.4721 198858.4613 172450.9903 567452.277 473662.1647 3350691.479 1084716.571 1230720.326 230539.1129 1140823.408 1758032.844 4980578.791 2912772.143 7275012.629 7215584.064 5643498.859 8237335.208 1298452.25 927701.2 797481.696 464860.8814 3092866.476 872084.4327 734235.1384 1453250.976 813098.0165 1500046.286 523579.3357 530094.5932 1272394.431 311086.7309 1668272.295 574277.7798 1338699.498 1291661.806 1593671.653 1554321.196 1426011.9 3021083.086 1630695.606 2195690.014 1799878.742 968940.9709 865960.5496 2655704.896 2745259.725 1125946.458 1184704.678 1641981.47 23093.66367 64412.39233 36744.43625
Imagabalin 6208001.237 6123420.486 13250118.85 23521277.2 16013489.89 19296300.93 3072911.611 3757223.285 4311582.964 3605478.933 4256750.347 1751851.865 3524189.46 5029049.283 5148379.341 2133529.991 2878650.036 2669298.555 6665842.66 4593489.085 3538792.844 12057314.22 4519345.336 11381444.75 2431421.834 5190168.699 4993548.991 4422469.977 6279963.046 11898401.62 7055388.906 6323447.124 13773882.95 5488311.15 2727249.424 7633042.223 5564455.063 9310119.498 16603945.11 5061562.683 4053952.427 1651239.095 3312587.472 1968066.709 1479368.55 1781615.796 1985486.923 2119926.958 1741467.422 1353964.446 1602889.539 2535942.081 3943255.716 5712236.64 3760946.851 2397566.376 5933591.894 5017536.265 6308557.595 2659884.535 6229300.312 5178716.401 8321435.694 14785226.14 9583284.05 8239589.122 7816806.435 13665807.33 7778008.171 12226145.27 8390222.602 8499728.21 6549539.565 10750763.19 6196564.664 10113157.16 7151129.633 5679155.245 4395802.065 1086440.283 1214736.445 612569.3741
Imidazole-4-acetaldehyde 98068.33779 210059.9606 111763.4273 107580.6505 181600.0265 7733.333962 19028.3714 83305.95797 19403.42936 29247.22614 6702.728049 11107.61764 17454.7041 37405.48604 13465.23933 3266.012107 19246.8742 8090.443672 97397.08268 16201.43162 39874.64097 6666.290377 3777.626233 88868.20263 37232.24729 5354.617128 14503.58529 7786.806199 86094.64615 14594.4845 43536.96634 209019.5789 17547.62534 408383.2992 109284.5706 29650.84217 6300.428831 5965.470823 3630.083059 135235.5379 2087.558445 3097.106975 14646.98232 18955.1929 34430.09613 27300.57968 8999.793978 43306.463 4216.622403 27936.69348 17097.42809 14404.12606 40644.24161 19115.50651 64649.20622 31615.51642 44167.30087 24226.07855 58619.55548 33958.49417 35681.77206 11239.43054 92825.43258 201334.2422 30717.51437 44213.92563 1944.055574 152392.3508 121260.9251 66890.18996 3573.511211 21004.11117 15427.21322 18202.55013 73913.35665 139677.3418 158520.5471 25348.51492 11160.44134 9423.230676 20061.93323 19918.74473
iminoquinoline 34464.11141 461530.139 51749.95126 1980.482655 260311.8226 9276.671985 47534.15057 36260.14142 38760.90957 21291.98787 7630.772946 1192.893233 5767.480161 807.9559247 22137.41605 3423.103731 1801.784198 4683.50195 24975.75188 2179.712411 19909.77778 54780.40144 43344.3848 8146.421415 41490.27622 1801.958335 50708.26348 87469.24933 2383.520107 17605.4109 127635.5948 22550.80961 3544.677792 5007.080157 24643.25638 26765.06498 296482.2102 4931.503618 15020.72844 9788.333103 3755.458244 2781.721091 70431.8151 21557.53844 36730.57731 3031.120862 1514.426768 6611.807069 13270.80569 31049.12635 6295.676531 112243.0079 45234.538 19630.32417 22043.63159 5001.776931 1066.146145 46920.40434 178083.449 132588.4854 49461.76687 97598.58779 54706.59358 104407.4627 9279.829362 5349.754683 11296.49003 6384.343353 26196.40573 41364.89931 9473.304472 2476.010586 40585.52743 7274.95642 42370.56323 133090.0757 5055.846555 998.9783763 6275.763694 6406.838289 5103.840315 8852.771678
indanazoline 6329.097872 192836.1997 8025.703737 8982.890693 52583.52766 3671.14573 77810.88146 68274.30939 76686.78414 42115.36217 48707.99133 42018.09006 42507.22324 28030.42844 88221.76394 15702.54799 45799.6685 35235.08637 40035.67741 151937.6953 56218.5071 41858.0431 153647.3644 35723.46558 46107.04416 38150.86915 35199.61201 59745.24327 83272.51315 164000.974 15519.40633 40954.14312 50402.97119 58194.37964 46866.00174 49721.17982 53881.51991 63264.99166 41475.69064 49066.504 26716.13674 79372.85135 44376.99178 117718.1709 64112.5807 153863.7775 168437.2693 86123.98746 41095.36568 36191.28309 66991.56166 53479.90534 25793.78988 74874.4756 38880.6361 41060.11108 126513.1458 85654.5875 76935.7705 42400.12016 36005.55384 71646.47171 70679.42569 16087.21155 101820.2002 38034.22299 116925.6304 3955.276574 16888.54958 7206.661896 87379.51761 177850.6511 119992.7812 3311.244829 84138.80725 394928.0408 137274.8554 58735.08253 93677.35819 1109.226341 21993.02195 2977.921713
Indane 16066785.05 17982722.17 14067979.2 31392418.85 22346628.62 38419144.65 6409940.425 4400432.629 7802886.915 18856860.55 6996795.134 4997837.179 5897287.719 7868902.099 7701348.407 2475375.35 3026622.972 3714290.922 9010076.828 19272685.18 2603492.784 11493592.46 6534653.272 11276859.21 3488775.348 5920605.194 7729167.475 6956065.797 16915928.47 36314476.76 19948655.31 16032184.54 18465594.06 4200938.22 8804693.848 8831260.666 13166056.65 6562056.287 7690517.783 4721340.007 4344178.808 5526138.959 3445960.607 4439088.787 5316112.186 8442933.917 3757128.879 13503054.7 3816081.609 7618020.107 2326627.19 2473500.217 4995410.99 8628588.179 4623500.592 4853221.543 4743106.073 8176253.124 2780963.555 6862529.589 9242637.225 4299531.433 28131530.95 12698658.58 3770509.418 20072257.38 10244424.17 17813880.63 15128907.74 5251551.9 9109815.241 13831251.5 3118325.504 9831736.684 10018560.93 13381376.59 3714040.999 7849538.3 4778601.877 664937.582 645149.3181 543299.7007
Inspra 466023.8852 63233.70324 1056679.795 1658103.566 656381.6627 1680261.305 312007.3286 3657837.277 232487.2265 550875.611 477391.9151 16672199.33 1663802.936 903641.2335 602231.172 11402554.83 2607599.569 1286943.482 364401.0643 338617.3372 1223785.24 192276.5006 663975.966 594101.359 141684.3268 117101.9284 353955.5405 680066.4137 211331.3819 3803204.632 753550.2382 1829509.293 346253.585 2056909.818 595146.6768 818187.8632 2635204.514 230150.6476 732341.5614 871851.0231 316745.8404 686417.2964 839067.2073 294972.7493 614057.0372 1150965.895 197287.437 189112.3796 475938.5219 599194.9258 341061.8627 750847.8094 1449236.17 567072.7992 238028.5791 787324.1449 1750225.765 2453345.072 237936.6531 1135140 1480694.825 514762.8128 332257.8575 1785839.003 1086277.071 936440.5903 734776.3302 962959.516 178331.9079 837079.3525 2868969.475 2637443.349 787355.5233 1400215.258 285865.8118 182700.6007 619341.6836 1667059.437 702159.2614 32308.56978 4641.846332 12066.92226
Iprovalicarb 70994.76124 385902.0959 37575.64027 21153.59704 69387.4596 124138.894 223269.332 107595.7315 82004.00696 326496.6487 319880.0474 100192.7028 105266.6344 242070.0617 109310.2289 86192.00595 78795.76452 62672.09 418359.5321 654859.6769 264099.7648 169998.0888 72748.77429 125655.0539 108362.9006 81429.3638 107334.799 442953.7265 89265.49933 262564.3053 43630.99882 28304.55585 47053.89966 92487.81331 149100.1505 207181.8479 334912.7672 414409.9919 153685.1661 280422.2006 195637.4805 286150.057 102656.0725 405095.0204 216480.4619 469989.3872 290029.1462 298472.9441 150247.7624 71067.90719 74147.0311 3600909.055 211451.0172 346060.5503 242073.6373 92074.32356 221740.7094 132512.2118 181926.4196 78355.55744 178949.6664 253349.772 445223.5556 171397.3536 490109.9442 49162.16108 168928.2632 93592.82388 335612.1671 673044.0169 327365.3275 499958.8607 292462.7777 108301.7386 166461.328 2696036.886 213272.5289 82780.46476 154166.7191 1725.350725 10712.58873 2749.320714
Iridodial glucoside tetraacetate 205199.3511 24689.82278 76383.34369 891753.8182 58323.99336 10011.47557 268332.8079 65953.41381 138229.3885 37420.34823 171625.6461 19224.3918 34924.31643 151086.5324 8137.16757 11672.3298 119010.7052 13093.10474 67141.53953 18759.45344 107810.8697 212575.8835 48579.7191 161203.7333 28374.16551 43123.19445 94778.92287 153732.9864 362901.3354 154851.7255 149317.1342 314163.8397 1097011.097 95287.71332 86335.62228 127051.2336 97205.18679 42915.62655 174930.5108 278483.6048 99135.53591 24992.54565 37243.6946 50329.32757 24584.44835 90810.05475 10326.17716 24177.53456 47744.08776 53356.8492 18944.90116 56989.1372 93770.86331 48563.77517 57358.23499 25420.77767 241188.075 78258.30672 114001.0318 97175.45293 94961.39431 88922.87801 109084.674 173274.5327 31766.97221 14288.8221 877058.4973 34387.77069 33710.4626 125666.8293 77257.14965 577676.3518 194711.221 15329.93915 66756.01119 230567.4697 59930.37465 52295.93144 54799.72262 21579.60822 19974.84207 9031.376648
Isoleucine - 6C13 9827175.253 27178240.16 10188572.32 13192267.04 11011767.09 8806231.758 341335019.1 253338785.9 92909944.68 364545243 239798026.2 1213142637 983936049.3 777025369.1 419536957.2 354546694.1 126697961.8 259739925.1 432344827.9 50590053.95 563061475.6 135336202.5 327894295.4 164208098.1 704724211.6 248558009.5 395998270.8 134602678.1 65582724.34 150846672.8 18749951.18 31201733.02 29357679.78 44846271.36 139248087.5 156495605.9 143577723.9 1487509950 8290348.451 263601076.3 134576488.4 525578703.1 711000561.1 798573436.3 517709246.8 463067209.3 812442516.4 745725712.2 288018753.1 206626488.8 47419192.07 420362574.7 586828202.3 174354274.8 424913881.6 398404698.5 114252939 20703536.78 111162169.8 103872199 118993386.9 326542989.4 196756479.2 12351699.97 380164689.7 90068665.34 383495618 5900055.816 9909109.109 32661025.45 53102457.27 169945398.1 379272257.1 5842342.587 29962413.69 25252753.57 463480498 327801286.6 571522380.7 343632.0674 679428.2746 219167.9672
Isoniazid 1635323.637 975941.7437 432655.3446 131779.7183 797303.4319 535931.1353 360068.2961 685541.2825 576338.2705 360663.5972 266423.4986 1352564.423 812838.6176 232120.3468 1350934.874 64800.28595 71330.64786 604725.7146 417260.7664 330466.9377 478550.8171 220514.9566 179956.8422 602905.6086 467146.8708 427403.1946 227087.3677 304371.1541 295760.0171 239052.9453 938070.2531 625334.4901 502755.2438 243404.6796 97607.59669 402123.4144 312754.9379 136012.9226 233462.4934 511080.4888 289782.5567 360068.8543 150630.4129 206265.1398 218288.7882 140734.0381 434407.4146 200430.7418 362105.3622 150656.6351 187800.6251 229224.8306 423037.726 1354638.872 243039.2325 878507.071 316940.27 1042200.673 532686.6754 349159.2255 518083.4022 1243758.328 260290.7503 538600.9652 2446282.715 844428.1188 1366188.54 1038171.53 3334006.134 1343042.537 1004863.243 814133.58 752858.159 670489.3253 960427.1576 455293.7297 350344.8176 248128.9926 396299.1279 121536.982 51778.21478 49982.26224
Isoprene 112088.2282 18376.17028 56556.73949 190829.1508 14251.51772 16304.30394 12058.62938 203020.1114 259869.5077 59238.7639 26208.10471 13308.01412 34445.94641 19300.28868 38215.21233 23358.39891 251970.2474 83973.83046 35558.6528 65783.56487 9174.544419 13625.51736 142998.689 103136.165 8019.111382 175320.5067 31102.66785 47178.24775 130326.2838 16633.63562 59631.00693 20008.90855 92560.59649 215294.5514 10432.93161 197265.226 38226.39724 171838.9213 11607.74678 129059.5662 94825.24363 94599.66766 57673.97537 75490.63673 15185.90684 39204.87038 31244.62332 35250.31422 26615.3805 30431.96737 40123.52722 16647.9081 13402.79054 12131.80736 13368.34696 10787.02312 11897.88377 159003.4072 25175.63214 64485.63125 8564.989673 77238.51133 47514.3585 33479.13861 19622.32004 109369.0645 9055.269236 32823.24372 60235.88361 15354.40422 53141.29576 93535.2041 87223.55667 833470.6462 907058.6366 320703.8674 28531.24474 30838.47062 10297.91979 28610.20392 7499.387165 6349.685813
Isoquinoline 2034045.263 1484182.832 5650866.941 3130129.999 3887163.606 5981920.219 1691507.493 1228695.444 623830.4934 1692739.958 945990.6864 2374973.77 343395.2132 632514.4121 1019342.105 629067.2721 265395.5417 1449792.333 2146783.4 590921.726 595660.5331 1411220.416 761041.7615 664904.3195 275713.4679 1616218.132 2151373.939 829035.9654 779331.7093 792443.4563 2329427.541 1095502.571 3960401.225 1629752.35 1218790.835 1434336.92 608605.6846 474459.8839 2464307.354 466493.622 2447482.429 645507.2563 506187.7018 319095.4986 468653.6262 259185.2396 455809.2344 269714.9038 336025.1593 289426.0836 451532.6489 312095.0941 1031367.049 1994891.011 549474.8968 563721.586 296442.4107 862387.9393 871471.9581 384674.0564 2567327.442 2062426.195 1108334.256 1231428.201 2867106.222 1047788.537 1106225.305 2130578.371 917923.5005 3780066.95 1049779.52 1261601.87 3287651.906 1610139.981 4214314.146 2237102.914 1404755.028 758618.5198 1020840.128 174214.019 138420.6757 202838.6186
ISOXYL 6234.099265 71967.79127 11181.90586 6223.592268 17093.54782 17393.18161 219806.3852 132584.6831 133743.9586 203867.9125 158182.9519 451870.8854 183873.1235 179588.3735 326861.9362 31226.257 133266.0512 1093820.22 521488.5587 152863.9615 178921.8011 934489.0216 114503.3572 84763.86766 263332.4699 47991.11271 939041.27 177015.7139 306941.5991 273317.3795 64706.14235 367511.2973 82037.91874 1323146.668 90225.95399 251501.2086 179105.9026 615309.2839 28163.2168 148779.1263 123603.5096 186283.655 1924486.94 201618.0327 672052.3873 198343.0726 2040151.454 159338.1438 1846347.91 174768.4711 633747.7044 237774.7288 191439.8092 1104092.351 1647110.266 129802.6488 198597.3483 2035843.637 409439.0823 335429.6129 239990.7337 2269857.596 137552.4448 8676.032137 275426.9554 52772.23432 1924888.234 32475.12869 98796.38294 25862.27926 102142.6483 234972.2654 110251.9388 5837.105584 102066.1583 651430.2555 516182.7745 246865.6709 177887.8377 1867.210392 48709.37146 8766.296761
Istamycin C1 4168366.628 3321126.286 8014122.022 3179098.475 7137727.671 1634090.656 4414378.436 4718406.239 6121813.683 15600473.97 2531366.216 6473067.021 4747908.555 1967921.616 2766832.751 10663850.12 1719650.086 8904636.978 7740707.309 54148452.12 16784881.91 1945736.135 1326326.927 7094647.837 2988710.143 14456176.41 1182814.838 1215983.51 5254687.113 1697827.019 2538008.307 768927.711 10407484.62 3032902.291 3451566.621 3064459.774 3728038.016 5919776.496 1087758.802 9326372.833 3239799.226 2463307.821 18947668.06 1382875.051 1609607.863 1682477.374 5073952.876 18925448.57 19629905.95 15374960.31 2204497.705 16119193.65 24938033.38 20397906.79 1188077.737 4159906.543 13399322.12 4608328.097 5492595.532 803250.0535 5676261.208 7547457.167 17058619.85 7339079.412 7109532.311 11326601.23 5327759.597 1196877.715 2846947.577 19803724.19 1297070.397 102302.2233 12751573.03 2421244.478 5445105.348 8002002.322 2501256.722 3399611.778 3365163.703 1109301.522 319622.5406 473691.0099
KJ9800000 3293428.806 1852318.508 3460973.267 5396750.832 34427282.48 9899221.614 3872342.089 13052544 6071687.632 9060131.819 6046624.231 16267707.32 13074369.42 14679077.05 8356681.381 22970493.82 11032569.25 5632824.361 8170853.715 13849534.79 629579.9081 6678266.86 9305423.74 5468980.714 570953.4847 2428120.33 2279072.752 5441187.44 5180779.275 3617095.886 15015592.41 16593082.43 7376481.934 4833794.081 827351.864 2940135.159 7930914.066 3244935.897 13674935.89 2888962.763 15832838.16 2932142.91 2020158.334 1855717.129 5802809.854 5821481.216 4034515.801 3914667.4 2404703.238 3047456.592 5035330.153 4226139.123 10129078.87 5401251.311 7335922.687 8092702.203 3993508.122 2141349.607 3752468.544 2580694.07 3319970.148 1589291.772 4650023.689 11093286.93 11298986.08 3181792.866 3254588.414 18096728.87 13747838.05 6613893.033 4369617.732 28241049.62 11653897.15 6713959.474 613276.8451 732960.6062 2930243.665 8325217.423 9323495.13 326303.4281 43260.14619 31882.63075
Korec 3000415.899 189515.6459 969753.1689 160320.0438 511296.1402 102364.9954 661484.3131 1301420.158 565983.5665 545513.6548 119774.1153 34396.75009 137569.4807 31201.72604 86265.33423 34245.58185 95944.9992 79688.5436 316347.8531 106194.5201 320304.7216 118582.4054 1910730.651 215119.3674 338956.6788 478871.4546 97716.12842 942635.22 1445850.446 1048724.062 1642363.232 511269.1107 2346930.519 100290.6329 69369.65902 137342.2266 83246.02106 230271.1957 582397.1401 344549.9873 44261.12443 210733.784 300702.3082 95887.72133 34409.72131 61294.15278 89392.47792 76074.88714 105125.651 122800.2408 57961.4561 789622.1412 24399.10871 97548.88477 1459335.745 140550.7458 2251954.463 202709.7291 52072.95716 86568.25847 2363926.008 53470.95892 61008.61349 551828.7287 124883.0749 140637.8903 2051695.652 707014.1837 3303988.501 332867.2361 4855984.486 3776498.287 1773599.228 295355.5474 1047971.151 3773494.198 1754992.071 1027733.761 148732.6455 86229.88919 49116.28686 81560.12183
L-(+)-Valine 2219626.282 715506.7759 907879.3315 5562239.998 582715.6438 648060.2463 3231861.311 1946660.661 195963.1203 3437383.138 1895227.753 92866.91481 83992.89046 259914.0287 206583.9291 240504.9945 6967370.936 131205.7479 698560.5289 317233.0279 1401983.795 3733169.529 1261301.076 348473.5561 608354.5463 486113.5994 159893.7943 626626.7563 238157.8033 487903.7159 587745.4036 1274687.853 422207.1597 1738486.024 3071781.989 2474929.956 395454.9878 220749.6175 305569.3727 418171.0208 190890.3008 216715.273 341700.3303 244811.6824 249833.5943 1289089.85 1107504.767 550630.5787 1658277.429 2876109.813 2844652.038 1188199.782 2295316.347 3172881.087 524047.2523 2199292.737 3594201.536 387095.4194 767808.3453 4773682.588 484563.5431 1163478.489 358829.2615 1277226.825 2571242.682 462738.5588 5156446.805 810234.9393 250559.0782 347224.4937 344708.5882 262963.6739 1542377.25 631047.2266 311751.7173 1592522.578 172397.417 1436523.389 441254.9188 339203.2247 228765.5027 166527.7939
L-?,gamm 13726.97735 859780.9565 124703.2074 45730.30131 20600.68069 196029.4405 679385.6088 177596.2259 194333.6682 552240.5274 270133.2778 297461.3658 325120.1039 314928.039 883376.7023 92802.71164 348960.5774 315960.5053 250917.3754 92764.05376 411713.1748 110583.6208 272495.2101 406320.6856 83077.86168 67166.06067 72451.87506 479140.0127 446270.0681 17740.71582 83893.74217 94229.71239 16859.59858 121976.819 400138.0391 181097.5179 660170.2341 116002.5708 73359.45688 321351.6963 775213.143 563214.1042 2050622.934 597891.2892 431112.3001 220873.8247 228454.7223 171794.3019 344730.1326 307822.8886 60651.61906 191400.0729 76492.26823 18369.98869 606211.2976 205822.5364 80730.11928 520138.1222 113412.6233 87539.52405 460591.3518 793255.3844 70106.22807 37650.3392 50726.62158 73600.05466 653683.8254 111137.0324 67342.57701 66983.9282 81782.43496 314309.7447 375900.357 173163.9895 186110.0523 183370.1494 212901.3843 235695.7039 199617.8648 2120.222812 24689.52741 4475.607685
Lasalocid A 615989.5267 28679.62928 60140.08677 46730.26337 169599.282 462783.738 268909.011 240722.0856 92374.85418 276521.7134 840665.1286 8161.137672 38510.29496 272349.1975 295458.4953 236480.9847 70081.35053 44880.91063 219731.0036 141909.3945 396632.7846 9982.86346 452542.62 30502.46324 229208.5589 68311.55728 114233.1682 403010.1141 196303.892 377289.1413 161497.7626 93475.56429 97955.96126 810153.6696 811984.8525 97872.09175 93333.50452 157359.811 306766.3146 298814.2304 113481.0914 52610.39491 510135.2615 259333.0639 257651.1633 444734.8855 107258.5588 196436.0633 394549.7659 75746.40253 91947.81268 43860.59882 127484.726 46107.55503 222026.1172 58425.32749 93326.5508 47744.89855 128597.7768 83451.2113 141694.2939 206254.1978 169848.8343 576472.6256 417965.8005 87014.28888 422981.0836 54766.87082 8299706.367 498424.8645 603964.9356 124670.225 227123.6325 270518.3763 148307.742 169952.3558 293501.7485 163623.6663 34830.00349 29859.96172 12669.73782 15822.16744
Lauramide 48216072.58 34412945.16 41368888.64 67266132.62 58940629.14 41173728.34 17554364.78 24871264.14 24145272.92 22500823.06 25496388.87 10521272.08 18526239.34 8367070.784 11888396.92 11981225.56 13420709.35 16553447.74 15528173.61 24680210.41 26482364.84 18403637.92 18926994.32 24003035.72 14796330.03 19708387.34 13550677.35 18585211.71 14971795.01 21916900.91 28519272.5 37264920.43 38902420.56 20104493.31 28866225.07 15671501.56 28200530.77 18583317.91 29674262.03 17414795.01 9097494.587 12552689.25 9630670.296 7979447.755 10883304.49 8306321.037 7073744.589 11185848.62 12363222.09 8577483.085 26725190.59 19440139.08 17891209.77 23398598.85 33440081.56 23289610.96 33596140.67 26756204.97 27221253.67 50883194.25 38055608.91 46903100.88 30279591.93 25370687.14 58496037.94 21575592.55 22524957.41 28242328.87 55699885.77 43416984.02 64110445.77 50315798.21 35345485.97 53241047.68 34962173.61 59603988.83 29010126.04 24426451.85 17558391.28 7660856.58 2879878.044 2641738.873
Leucamine 1159276337 1183291048 2182563216 1601266791 1790847195 1121851656 216530835.2 246959851.9 829460072.9 433810956.7 597793721.3 191022675.9 212652228.7 173293331 200980192.7 166219642.5 450638384.5 225604080.3 392531298.9 458170853 279435962.9 1215113119 568266247.6 1354712417 893205486 1251735278 708169038.3 623218582 852566126.8 878913795.4 1204539070 989134115.7 1436823354 586019062.7 593472393.8 438051596.2 485772231.9 465278660 887979892.4 557074753.5 369340380.4 185322593.9 213295916.9 205613653.4 189900922.6 163447550.4 163888550.3 242045345.2 244927240.8 161246551.8 142169419.3 297048982 350352841.3 705682038.9 370788475.3 489848167.7 326536922 690457508.9 417455958.4 655706318.3 360160052.4 409793873.8 908140853.7 1449033823 891014997.9 762412778.8 726523158.8 875550709.5 1223927267 1243046008 924682610.8 917393897.5 1425142919 813337467.3 1020042729 1255061767 835405371.4 795151389.4 547688235.1 96854464.35 185138776.6 138656896
Leucinamide 135087255.2 203220901.3 156094883.6 196729204.7 198575399.7 194955568.1 227367438.4 76907198.29 71958156.32 185873149.1 176470333.7 107360027.5 64578783.84 82901731.25 182253667.4 59866520.47 98637008 67631048.77 120899210 146279359.7 239993188.2 156721665.3 137982259.5 175703038.5 216656932.2 62558336.82 86428741.32 184757786.4 179466088.6 193382696.6 211371384.2 187162302.7 97821422.99 150672817.2 240873251.7 116779100.4 116534959.3 129904033.2 169756079.9 112160095.6 118864202.1 51954277.1 100189298.8 105118256.7 157781389.4 55560350.25 93938685.82 86085194.62 91995545.47 143757084.5 157612787.7 86868101.23 148103101.1 306146501.9 128150043.1 74820829.67 119556123.5 142832355.6 176957000.6 524456559.8 213676774.7 240215620.8 166900504.5 228221123 91646137.18 85108253.71 213266844.5 91518303.33 393503634.7 210614987.5 225169792.1 102612161.7 136514032.9 161249261.3 67392804.1 230330299.3 171135251.6 69084433.34 96872681.57 61798646.18 34450882.45 20759680.67
Levallorphan 2528815.773 4796822.665 1210377.081 1102765.35 2661399.228 1251110.778 1427255.658 1139589.102 2869710.231 1543814.088 2512461.38 6479436.474 937682.9994 486513.7671 3194063.982 1072723.045 861515.5058 824725.9656 1173791.168 3280139.909 849948.102 780750.1537 706080.7564 2496022.465 1324583.923 2189046.419 706180.767 1269780.634 2780114.889 874665.485 1628346.334 3226682.144 4373778.679 2015324.213 2097035.314 2793645.512 1525852.131 1428383.231 7155145.891 2796546.599 470626.8365 817762.6899 615485.5574 566846.2401 1052549.904 776331.2874 1009301.789 847844.7561 2074095.856 475944.8036 407017.2656 2519688.539 1559583.358 1344718.025 5552133.088 959190.0036 1911269.573 3609908.823 2662268.638 3781986.444 3796509.654 2862889.4 929912.702 1983012.267 6374360.662 1905292.57 2545594.704 1143849.939 3534925.426 8344351.415 1254282.182 3235948.87 7222820.088 4784324.495 3737393.916 4024173.857 809899.118 781936.5539 5297715.147 387384.3333 246899.2949 141897.5289
Levamisole hydrochloride 1055859319 1079388621 1830561363 1404062055 2861663359 1174000911 2053717474 3049968456 2240342026 4428016966 2291513806 3365905832 2954276111 2897028224 2076441674 4785880136 2086879080 3507589171 2731086904 2992431274 2082873982 2259351157 2043772629 3457516126 1489858419 2831048948 2296913706 1894291426 1691984663 1471282116 2643156717 1481806228 2809583944 3147195342 3100825711 2008435288 2508369381 1848464772 3604529738 1354816539 3895293228 2331209346 1797452752 2104087384 2839162948 3365634810 2205327670 2668118048 1374589224 2093797848 1587287186 2868237536 3044390216 1809171567 2987525505 1605481821 1813044614 1003866621 1501264342 1161702916 6621612040 1430044381 3376472018 2827891457 2073029468 2458928966 1799430496 9658118537 3634359383 5545072826 3769175056 5150847431 3741135621 4054004484 2487928257 2767242349 2341408938 3455920015 3736379018 41690951.25 12077121.8 507026.7615
L-gamma-Glutamyl-L-hypoglycin 40539.98703 79371.0956 163807.9812 447614.4938 226272.6908 6835.884267 337585.1352 167763.0758 57747.20722 11040.7988 84278.32995 20537.66553 5944.857537 89794.62323 30445.74096 86220.04562 124299.7918 167119.6138 37658.9998 26368.86366 43265.30562 67271.31071 29635.2068 53951.53995 28880.26845 57321.59682 37765.11816 112678.6158 65567.65482 256023.1229 94889.46394 269599.0791 23971.69422 7409.454493 36436.27203 147913.0225 337065.3948 104598.7638 61845.5083 43338.35429 10023.59655 61461.28474 35152.69083 121919.2912 27412.75595 82133.85636 27309.41079 82192.21069 48746.63082 31941.15243 33476.62798 75548.2127 456058.396 22241.26861 28604.74629 7828.658635 238555.5963 75935.86803 102398.9657 72005.57271 43873.87124 98902.74397 57802.20965 123697.1802 85617.81133 27478.80298 203206.1702 40414.47125 66661.36902 34578.35996 1259812.986 62336.79936 78306.76642 31034.47756 93694.86009 146343.0843 43896.0405 13630.77102 19442.96208 31451.02896 23974.43453 15879.27976
L-isoglutamine 112498.418 870470.7584 115299.4537 139241.2144 72630.20461 375570.2383 2302904.533 104549.3983 1579579.4 204980.4073 143336.6493 491634.6613 681060.1852 625893.4332 1192765.216 1360632.64 3677300.86 3332071.29 254753.0376 444343.7641 854957.1738 989424.0531 145479.5187 193003.9392 631082.0931 142909.4544 133838.1845 222481.9991 995012.6843 81703.45507 610969.8308 232644.0469 523188.9191 2858944.396 286328.2789 1434569.271 267146.0469 963472.8329 348228.5619 455106.5472 1174503.789 1514008.592 1069339.605 257209.2286 1151703.664 281724.1413 1881579.646 348618.6337 3388926.162 377185.7175 643795.5831 261336.3868 779699.783 291182.0045 164110.7915 1183385.787 341887.7267 341547.0303 2262828.786 2071599.31 228823.7993 289692.079 1068528.022 85473.94412 230090.2014 390109.0661 944934.6406 75760.80232 54233.95219 370810.2728 374497.7883 386346.3517 1234689.982 215546.5546 547355.6377 503032.3218 520170.4323 599436.7207 272812.575 3767.059315 295308.8147 8578.296153
LQ1825000 1262771.922 1630671.498 2947989.528 1588276.858 950522.7795 1959804.642 1404312.633 1115927.05 1112685.488 900646.8817 2095701.704 1191585.892 1512491.126 976250.0727 1473620.279 775106.7907 582883.2686 664024.6388 1472689.093 1682792.235 427235.5798 3203534.284 954998.363 1337733.953 1823436.142 1329614.691 688190.5867 1435565.697 1238187.507 1137585.639 1829162.357 3045620.366 5058803.005 1564650.112 540148.4414 2158929.032 1120039.019 4154332.913 3426593.826 1616416.43 1032762.569 569778.2817 439039.7415 529532.8256 545138.5983 554530.3161 610388.9574 918934.407 843588.9756 1435178.644 776418.9349 527876.8078 437120.8656 1282227.36 380856.4904 723886.5071 598271.923 1862141.08 588288.2728 592496.7496 731131.0373 1556384.025 939927.0559 796652.3423 2557128.969 1088538.229 599258.1286 1991665.894 2049238.741 2283161.75 1355340.318 2926547.827 673428.1771 3884199.542 2496101.894 1438687.535 765787.4504 2473608.354 804534.3022 510056.4938 199613.2413 170144.1365
Luciduline 85764.66799 534159.7361 145147.6998 296901.6813 856267.8478 124508.3951 82420.53294 48473.44634 473575.4639 119898.4497 89625.75487 238413.0387 134636.946 231103.7877 30829.91591 161186.7681 160710.9962 37452.96924 102958.1553 38997.98339 26428.86779 766555.7066 708885.1943 87900.90598 32429.59029 75077.44876 146201.3008 56646.91385 178946.3683 74929.49153 185890.7504 66350.21708 37853.75368 348743.565 145856.0839 24533.78264 83192.71207 61732.5603 188444.5858 187437.2179 332464.4196 232186.4205 60946.71169 57926.29525 111674.317 38973.30832 91138.44405 975680.4484 397596.1565 177263.3762 100269.289 20507.14375 4555.716887 70592.28763 205529.7904 66539.69352 507458.4036 104922.717 110555.0741 272900.7317 25853.51476 17733.2384 192500.464 70665.26255 250022.3179 171424.2748 11436.83239 108751.6754 196393.3802 21232.59673 175137.4236 535202.2038 15280.28853 175404.378 78061.00392 252206.2731 83174.73186 30094.50887 16259.50658 64169.49421 57576.64997 41397.24607
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)) 642614.7431 4903211.739 257671.8131 177530.376 319063.8243 987104.5095 6720792.88 5144291.65 4780032.365 6773136.134 6907210.731 3419290.16 3530773.688 1546811.389 4173224.637 3891838.015 3394179.171 6762035.012 4242311.72 134130.3208 7913226.811 23782707.16 26013777.66 24291455.37 11028555.79 9038654.48 8340549.189 29997996.36 29602099.52 3726119.556 154017.5212 1464739.837 568040.2737 29952782.15 35869037.93 37326798.97 42068544.4 37344162.78 1287311.664 11872561.73 6940870.141 11340870.9 39995421.03 37322663.26 39836073.49 29413706.41 31406631.85 32412542.49 11061329.38 10121081.62 1625706.467 11134348.35 8425451.27 11845345.59 9184703.755 7814704.288 8079856.762 1275706.185 169845.1515 298456.1949 10267804.23 11941486.7 14342185.3 3546157.753 21606150.55 6872432.088 25531059.35 373842.3539 256364.686 1211886.949 403729.782 1146797.194 7683655.03 154273.1238 12057777.6 528739.8808 709383.4273 404641.634 1015604.214 5020.946765 69783.87969 29623.35678
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1234055.373 29340498.15 627296.8887 317356.9355 427236.0074 3001375.528 9509983.461 6970765.093 6656300.759 10804311.97 10425238.18 11985588.03 9204255.58 10127334.81 8356504.029 7056500.941 9104196.783 7547832.956 7074109.125 1623872.699 9861700.488 31304843.91 13768942.6 31843495.08 11389901.26 8620539.511 8153277.53 24431635.3 19830790.18 3060148.177 442898.9274 2789205.4 570936.3441 20648337.52 25048597.64 26164817.2 32083457.68 34503194.09 1269192.668 18374724.54 10684207.15 15793193.94 50357477.4 47116759.79 54597147.29 21687489.63 22210490.82 25428254.09 13873897.23 13610133.17 4858759.985 16361905.54 13842149.15 16042509.54 8450913.062 2841678.038 7093529.546 875842.9507 763431.8509 868897.1693 10540568.19 13513083.13 13311726.9 2618861.313 12987485.9 12875614.28 26537477.11 676960.8707 624049.9233 328761.6623 2693641.042 3180864.534 11584963.01 619976.0038 10077969.43 1905617.026 291631.131 1466880.954 6595209.644 74462.87227 73890.20646 15951.10284
MACAMIDE 1 95922778.74 152314315.3 118528990.6 233796147.7 166973281.2 83093450.04 61756460.95 113193319.6 125806620.1 110736138.5 125710676.2 92278413.57 60868112.72 82346730.99 131377037 79416603.53 77539422.96 83503032.71 102675572.1 356622778.7 103580393.8 237821218.1 76776045.81 97514741.06 184027546.4 145308114.8 82875716.32 95181148.63 99658239.59 39063359.66 107668424.7 220384613.3 159804420.9 187578642.7 115710465.3 223026588.9 175190005.5 161760425.2 220073028.8 117873874.3 76728153.15 68673221.11 60720445.53 84407536.23 72724049.2 110560033.6 60276451.91 87638689.26 94342748.35 82893113.22 68944197.25 55707573.9 150457008.6 134375307.9 64493207.2 74266540.53 111304714.6 118041705.4 181384913.9 163972900.1 146292152.4 89011551.9 253199354.2 177284283.1 236833222.8 81476008.59 236459316.4 175023581.9 241544137.3 370756348.4 145530306.9 86531130.42 92555891.22 190689655.9 163621004.2 170231903.7 133384231.1 122905989.2 91735750.27 31804883.65 17857532.42 10794809.64
Mammea A/AA 33221.90236 231696.1321 187480.3427 21560.06197 46609.70822 138917.1418 197728.9965 155275.0524 119403.6811 443083.3271 118710.6963 742874.113 558170.6531 156358.9031 270588.3341 60858.6274 27770.51405 259466.2902 362771.6851 864068.0967 613954.8267 333291.3894 124244.0599 324385.8987 634991.826 90621.22595 127493.4765 157487.9528 150692.3373 360949.231 246233.4929 2428363.649 118618.7824 63839.3587 97807.07268 238363.4043 206117.3401 412441.5493 497602.9509 202170.9931 389702.0249 387243.6646 347661.2676 288022.4672 1309237.533 426393.887 257293.4113 338405.0006 589636.7126 187598.2328 232934.0291 220855.7691 229196.1617 462185.76 139545.9341 116131.7087 208001.9678 276563.4116 498957.0082 619345.5893 189977.6948 345002.773 757811.4904 156812.4876 384377.8132 89130.62455 218626.593 74038.31838 153533.9623 155190.6168 223629.6944 275295.1646 70432.61671 42811.57692 328123.0052 1303820.913 119604.6186 234187.5397 291837.9552 770.7497208 10888.29969 53343.11515
Meclizine 1034279.764 116115.3818 588217.7145 1806856.027 178982.2054 198121.8267 362107.4616 374323.0885 237853.8209 118690.4247 617505.2571 363630.431 46785.30438 52185.34434 250917.7619 185673.4449 271416.8713 615460.2134 82850.98885 63616.46571 34474.96255 461200.9725 316021.3059 476017.4448 42947.83673 787192.6714 342192.8962 79235.61431 95570.75484 180617.2749 966921.7989 60493.24657 83441.35061 593602.3077 59248.48148 676913.4366 359827.1591 467017.6497 888543.0015 153458.7585 215246.741 124135.2435 178821.6515 44486.54719 113287.1788 84517.51554 122581.9893 158904.5241 90362.89795 98190.62132 117555.3713 17898.17357 421820.8757 1098599.008 107030.8785 382727.6627 701688.3613 910358.6131 1046038.255 27547.77845 341902.911 285332.6812 256688.5516 340947.0978 495520.0982 445362.9323 123024.7288 448340.0959 637861.3447 1176641.725 15180.30338 74359.81322 649732.2376 828323.3109 282704.5705 528868.6689 136161.5747 452789.8159 557348.9275 33026.47504 55416.64103 37667.5084
Melilotoside A2 38070.83551 41933.49705 42526.19686 15653.23329 217997.1007 63087.36697 189280.4678 133946.5434 520623.3307 13429.0329 166744.8959 21135.70396 14353.29621 80249.23015 85302.86678 340092.4169 840997.3043 60066.80073 124572.506 40694.35782 196134.2177 427046.1339 140230.6941 64401.56507 74165.00764 73074.22611 25952.22566 302179.5469 75624.27647 141895.0103 70404.56856 343743.8249 52096.03616 128684.9342 35391.38913 357947.4728 386927.7147 53034.40728 214505.6533 129970.5193 10769.06478 104970.8027 157061.3172 240391.4925 85021.96031 118096.1102 54932.01596 276062.7089 80862.46559 42698.79641 65313.64812 39217.20592 176262.5303 33452.05946 73126.65407 11760.36455 75891.81387 165009.2252 207298.3462 135495.0497 124744.8471 28550.79898 164827.1807 176881.002 186463.8029 109925.9773 179509.4332 142199.7522 17918.13355 61245.61665 957521.4426 328919.018 344274.7545 75095.41862 62768.13711 312727.7624 80672.17501 47077.82174 130555.0874 40906.50765 6661.559792 5146.190969
Menaquinone 8 438404.6623 8876181.613 476272.599 1025655.668 433829.8116 2747367.211 8476536.94 31499952.82 8147195.98 36789385.27 11535828.09 8477280.369 6890809.952 3237004.317 34178657.3 14140211.07 7077578.251 23686974.05 8912409.343 2741044.489 8121180.165 4799563.34 17204071.71 7280470.601 1362292.338 2228490.187 1227391.04 1873706.154 23295605.26 1143395.532 364316.5195 2908495.756 907216.1991 5262662.241 3785187.826 1913789.836 4252281.193 1615632.703 719545.368 7260708.885 17944436.96 27047486.7 5503864.178 10346432.44 31739541.61 19643785.53 23903673.21 450263.0066 20434588.47 18749105.99 6365702.226 50131135.25 4546627.919 298150.0151 18494876.93 2452825.09 7120072.996 2494536.705 1484094.631 617856.6398 15535215.04 1185708.394 3491711.718 1470431.536 1450056.687 6080040.354 1366696.66 819208.147 778959.4654 911573.033 384741.5967 1503324.46 5759241.706 353708.7633 2578919.229 1839906.154 1833787.515 18433799.41 47327462.07 3547.439519 44668.69925 7895.733368
mephentermine 5947494.297 5329773.083 3763272.156 6988235.462 6500008.248 9566632.57 3172231.919 3817383.784 3210012.965 2985986.343 3591509.523 3279993.684 1784004.058 2590408.067 3792378.692 2624342.104 2027889.886 4267681.546 2721258.04 1266468.497 2119588.68 7019171.946 2637004.605 4961335.903 3264102.59 4593520.94 3727904.665 5104910.899 3781444.039 4198149.54 6244429.84 5848793.05 6193418.581 4795766.451 4030293.477 3773489.079 2594799.711 2950256.059 8498045.158 3506188.481 3403640.869 1778536.086 2381904.202 3170498.18 1802539.725 2039668.175 1971975.908 2307233.688 2283442.471 1584758.171 2039475.896 1739482.216 2308560.599 3614821.261 2193122.572 2449201.747 2893940.388 1957814.21 4256927.624 2336508.461 2468277.593 3360991.266 3271922.483 6422817.211 5126121.508 3834410.677 4682216.311 5298758.121 9201416.851 5465022.701 5103597.657 4170809.991 5066168.962 5540777.047 2797036.55 5147955.825 2388229.113 2339710.811 2735974.41 824520.4643 886943.0163 656806.5261
Meptazinol 1673545.573 705288.6475 352237.4861 537860.5357 463280.7674 590511.4366 496932.481 718531.7859 490059.4813 431385.279 378334.3844 401360.9769 264908.498 520377.4825 679801.7462 485328.5475 555133.5033 1252033.566 634554.6622 597518.1118 470405.9517 2153661.915 822384.7256 642961.0861 148592.2142 1049956.473 360633.0101 160077.9295 318269.6965 452660.4591 1401254.739 339712.6199 2376758.564 781511.8475 778593.9698 792175.4494 413182.6405 1695801.355 3164979.949 701823.2809 607783.137 477247.2527 438272.6304 306509.6997 242204.2823 271322.2752 264399.7355 306521.0353 564578.193 290675.4079 276979.1882 525883.3962 586616.1594 835593.2272 588709.163 836754.9661 1394532.229 2528589.048 2331520.453 425136.2038 887609.5148 721256.4964 669744.6097 676263.9231 838890.4173 330897.9265 382326.6595 1074856.319 634553.8182 1940999.297 741949.9867 387603.8106 225048.6249 566960.0527 456059.0082 756293.8654 396244.4934 318035.5036 280937.4956 177375.0205 79287.29201 59897.7402
mesaconitine 1678496.829 1741435.128 149658.7983 98861.72492 363123.9519 82871.00462 1068459.591 4363851.447 838081.0013 735411.7213 367006.6739 9565189.759 220945.888 145654.6348 388726.371 24614.00405 145761.1006 201737.262 223052.0195 579567.5354 156102.4888 712572.0443 103642.5784 490009.9095 302596.2227 940176.4501 80088.88696 1349468.528 471853.497 205319.9032 2501978.676 1529275.171 6613592.962 506339.3536 613816.6488 464985.4449 375845.607 222552.2614 7327423.736 389570.7003 2155724.01 702949.5544 239607.9869 95035.99196 166941.5008 433231.3454 550342.7459 415386.0921 360851.7641 503707.9859 232142.6653 373722.4341 1206223.278 366434.9187 249681.6869 162005.1283 98892.53505 424457.5145 43269.73189 287095.4439 289925.2611 705741.0214 1355156.262 2502617.765 7987585.908 1004235.291 521029.1396 1720600.245 1881096.129 1601565.054 367032.2941 1179979.323 1610328.179 1486979.042 4006289.611 93140.04342 537244.9725 507350.5503 211495.2516 147738.7611 135852.6384 131128.8939
Methoxyphenamine 124890.9491 1458449.415 14607.82836 455749.4693 318248.2787 395516.723 3481954.438 346607.2512 305972.7683 1509862.601 1921414.997 485955.2186 519993.7184 130629.1281 2646279.61 615717.7817 268644.0524 983323.6245 665145.052 750685.6141 967810.3134 408357.2267 334990.7012 1766967.288 170979.6045 191089.8278 259493.5206 434701.3246 475994.1301 131168.9993 294736.6058 117647.8611 311571.9778 343750.2773 251493.2252 414297.3738 1493325.591 290552.2015 101654.7904 484197.5296 310906.8767 218189.4791 5465211.195 890490.8522 3184307.989 2961554.842 277381.0987 2113232.04 198286.7113 309366.7695 229718.1801 692355.3669 2021472.728 1031300.546 184956.6362 210162.3628 182382.7031 230896.46 1305289.816 711186.3334 233868.6108 262235.3624 642537.765 134360.9185 251670.7066 324775.1937 470141.2353 47637.11224 66097.17664 106013.865 146918.988 782237.248 375586.4898 40066.91909 325041.3601 97798.67264 283381.9618 334606.4738 199292.7457 1950.47146 385715.5603 10786.42545
Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,13,17,21,25-hexamethyl-2,4,6,8,10,12,14,16,18,20,24-hexacosaundecaenoate 128734.2626 110803.551 19988.79414 94322.24657 275079.4134 15394.50973 139231.9492 291427.7823 48475.01638 64158.93351 61288.66058 22627.12172 47646.68149 196605.4415 27992.29682 81201.44203 73780.96395 9153.948805 263246.7951 126173.0038 170318.2814 196456.438 22852.43593 179644.6201 111734.6065 709395.3094 126230.4633 7427.146911 550930.5115 236518.4321 277852.4261 57561.73728 17904.17201 91077.5138 368119.8774 126160.3404 62377.79741 46922.5349 18583.60183 141437.2119 52052.59443 236753.2349 83298.52414 89308.095 105901.3845 51761.50081 39265.61865 75531.77371 12660.02949 59750.86423 56600.91838 23951.12683 94825.09961 3328.849845 17420.18124 22260.51666 157961.4701 55796.4278 76606.50947 40666.14122 91174.36279 50585.45826 373923.6473 229173.9621 86160.93555 41566.6681 28899.08772 224699.5884 326471.2245 41266.05924 13490.50491 99753.53109 220077.4402 181527.2617 28466.4566 263482.1426 354790.2466 66386.79086 43256.88034 9676.510469 5489.572328 3870.645181
Methyl 15-cyanopentadecanoate 16159.8898 115041.9554 160538.8652 139227.3944 453802.6195 127591.95 24856.3846 39582.44543 32726.81237 37097.16665 61375.48794 5236.64125 12768.35543 31300.70296 45242.83775 6920.771206 17695.22995 45587.7535 25811.75307 23273.07834 85183.10191 19977.37295 48664.2319 5782.070312 81752.71471 94660.88908 76631.57765 379038.6921 27454.59378 14769.7234 150326.4811 150587.1845 217272.2429 98123.27024 37301.00536 20234.22061 100870.7224 77940.66414 100782.4568 26155.47445 9401.888375 9366.390735 41421.92852 33049.46132 8969.310459 15565.3025 29511.92565 15229.82904 89825.25177 19295.94621 19064.56218 89786.14156 117955.7967 235628.9629 206253.3671 34916.11468 148827.9908 84532.66422 274299.1889 266689.6514 269374.4798 175703.9096 92645.95632 98299.78622 195413.9709 50515.36951 343616.832 82101.25953 283068.7566 142784.2458 54446.54898 89228.08929 33481.60638 73049.80727 85651.44147 584966.5146 25235.80232 67530.9117 136878.2363 8048.959054 2803.80758 4228.198159
Methyl 4-{[6-deoxy-2,3,4-tri-O-methyl-alpha-L-galactopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-2-O-methyl-alpha-L-mannopyranosyl]oxy}benzoate 365339.897 2169728.717 10985401.73 3725269.381 10090688.46 3543309.867 6073127.925 3001640.576 5171888.675 16168186.63 1509215.928 2503859.407 5383937.422 33941037.34 15688498.38 70755449.25 7378157.174 6602246.914 47402526.79 816349.0625 5911606.542 1090226.347 12909829 15961052.96 10404063.63 17435475.65 10291906.64 13448553.88 1261137.538 6424199.715 7766999.301 10688264.82 8982695.276 23160709.24 7539381.593 16175027.82 1849231.047 4584335.238 2970386.601 8104954.866 4848802.588 10031059.25 67813722.56 76504104.45 9899705.737 76776174.99 9686978.712 11635596.6 63648622.35 7525349.183 5834640.52 3208469.884 1415367.943 1922195.822 43791713.86 4990489.887 15067670.87 311579.701 24142752.96 1723631.7 685004.7538 710785.9722 665417.1767 4396034.505 1139774.918 6792914.137 2040273.109 1855698.202 4433721.831 2451698.726 4180170.393 2390360.803 14026740.86 308226.3517 1149291.452 3308552.501 123180.4121 9269584.725 10767393.99 2772747.097 3520262.036 470217.0431
Methyl diisopropyl propionamide 11441055.38 15474546.61 27556641.99 10456512.64 16397933.27 11062943.62 5685404.224 2929192.515 2670328.58 3985641.704 6661488.833 5411857.498 4325415.229 2669005.879 2737961.957 2184591.268 15788597.12 2936593.311 3953740.993 2585482.193 4467296.403 5092927.517 2945900.87 5499272.487 4882296.111 3856641.597 2496920 6377028.238 6291312.846 4357359.143 8647736.151 7346691.566 10935618.76 3389723.079 6932221.901 3499656.738 6625768.868 4628956.637 5742473.133 7167491.146 4443218.646 1478270.74 3492262.622 2758816.504 3495711.928 1926074.977 3883347.222 1956993.33 5237826.686 6345546.418 1768128.209 9545061.655 7479033.696 11233275.33 3591799.619 4705381.34 10887691.91 8654484.603 27612050.43 17757681.48 18310189 17081851.56 9350983.064 6813532.622 22207718.66 2244983.205 24068448.43 5200089.01 10406601.12 21911464.07 11812723.72 8089973.811 11781851.19 10445563.85 8101522.588 18680205.95 7676160.716 3914683.041 8253896.143 1849472.651 1888906.979 1899392.359
Methyl N-formylnorleucylleucylphenylalaninate 483182.6639 3614043.311 1504422.632 6086857.621 3452438.328 13527498.03 3775195.388 7389893.424 2158368.469 1417635.268 964207.6231 7799399.477 8867249.883 1307344.544 2342000.407 3753036.863 803415.5971 4987165.02 10161109.5 4435438.648 1833532.039 3527231.619 793633.7325 875274.843 860660.2304 9416591.995 1140873.524 916010.0009 4250527.025 4208171.726 10015378.3 955928.7352 10130698.36 7157133.987 3510539.855 10650478.21 7064260.288 1766516.669 2052087.547 3006126.95 2770326.031 3006449.244 6117132.824 18403149.74 7465491.702 3493763.692 3352848.656 3442970.5 1410430.949 6497035.02 6018754.467 1534067.394 891668.8629 2648441.8 6192594.286 8022959.873 7599745.706 914397.4457 3093905.657 6589753.47 1973176.731 2192714.226 853177.5513 4143665.677 5961408.563 1942295.012 1262254.401 2889980.682 19603856.63 3758824.008 12138916.94 2562759.483 17729927.84 7864950.098 1228511.159 3331736.784 4375112.343 1687308.746 1521115.567 1354883.523 420989.9768 159607.5453
Methylcyclopentane 43957.75518 31942.5651 2095686.989 960721.9376 22460.7425 18152.2525 25562.10535 7202.2475 15848.29456 11649.03137 259790.103 5504.788352 31582.20122 16457.55446 81452.37012 7290.455433 70160.62644 45286.2237 43985.66328 13067.0766 25743.87507 35506.58733 6771.298103 234674.2574 20055.51777 121895.7988 99284.44432 13025.84359 45885.31117 46583.31371 87897.53111 7787.21036 121349.212 7333.626908 3862.375958 54273.50021 23935.59391 23858.513 376907.4723 54967.29066 108014.449 12169.52726 37513.82506 12275.5305 11181.54433 13959.84189 18255.42024 38930.58339 19439.11701 7890.664429 29897.96905 34744.6604 95479.80044 105354.0875 7602.642502 181207.4936 19766.58308 8666.343969 384845.9651 8422.299034 126567.1983 436671.8751 47318.07056 46945.8479 224529.9363 218675.5744 13931.85335 547574.4514 32863.60462 467336.3765 161277.8515 216871.1927 475086.1503 26926.64054 148904.0195 225438.8961 122168.5985 80703.54503 73015.71926 11413.1067 4606.064929 10163.43245
methylguanidine 4341651.931 11275301.21 7010141.611 12010297.84 2102611.195 1527459.958 4245606.228 4323937.918 639533.7075 4982462.673 2914198.809 2480790.632 4455463.82 1832601.975 1311293.787 1940698.313 2013178.313 3602857.802 4294658.557 1537773.406 3895220.653 715156.1852 3096077.272 2692615.534 1928549.244 355619.1833 2220173.587 1811306.311 1335438.824 3433765.308 5837988.414 2821331.016 682711.6142 3831435.844 4139300.23 3961838.807 13507467.96 751155.0453 3917484.407 1508722.748 2208751.773 1231667.688 2519085.01 1716907.503 2383080.214 1993012.895 2581905.164 4436987.81 4394016.5 3649869.242 3162342.893 8599086.954 4242272.078 3568024.456 2774778.541 3036747.196 2919959.395 2917768.41 4512542.406 6215483.193 4215444.33 4176522.303 2502044.256 3363086.798 2487854.21 2606843.551 2059269.073 3990665.29 9391092.12 4303372.828 2979424.127 2810286.25 2534365.442 2892192.62 7780080.917 4349350.809 4492080.001 3295917.759 1851737.352 1328694.606 243802.9694 228089.3647
Methylimidazoleacetaldehyde 11082.52227 212984.4334 110466.6696 104426.8316 46916.02882 9712.044151 62795.08315 201868.3121 30675.541 172481.01 47299.0152 16775.47601 11842.79901 93743.15904 379962.5656 24479.1274 12052.88384 9837.564358 12405.37623 138085.6496 188711.157 20859.05068 21604.11777 32622.78155 48756.39755 87531.93072 13054.81264 180400.6669 68881.15748 152313.1811 874574.1461 101189.1114 72146.06883 70184.36464 27622.06257 6981.582096 22273.50275 16746.80846 88834.98672 35901.84932 155818.0667 33613.01641 20517.54767 44615.73683 67036.90125 31023.11773 14843.11437 69869.92749 35169.89445 32133.84337 14077.64953 13660.11882 31335.31401 439180.1408 94716.76154 61269.85239 95116.19175 70359.62134 173642.7067 20416.69668 10795.89877 33494.22638 148272.556 268186.7064 18654.15529 109346.6612 106737.3668 107668.0825 30436.84767 225836.204 234761.2762 73502.79199 72114.49212 131500.4 37198.21475 25228.10795 68583.95354 19615.26346 30650.84208 27896.58392 11177.73668 4392.349709
Mexiletine 2106044.57 1228694.618 2428213.446 4345484.976 4584184.052 4089409.983 1327893.382 3279499.235 2655095.086 807407.1512 2992984.814 3344562.515 2214847.994 1718512.151 1118636.397 960462.587 1001074.938 2150324.295 1051670.856 1028631.971 922288.2648 4115170.962 1410791.818 802331.5114 1112566.435 1407101.959 1294261.567 1970008.17 2211944.141 831617.5951 3366295.421 1564249.24 2385175.457 1900809.843 1048022.987 3061778.156 2638083.663 964285.6153 7153415.608 1491530.518 2089720.931 793483.8372 857539.8371 846668.9622 745393.4305 503239.7771 709617.8998 741020.4319 609401.9571 484192.194 585939.9959 1051519.936 1646245.688 3309627.278 1147168.322 2722450.224 3134184.164 2376895.109 2673503.232 2378067.596 945232.3274 2952334.856 1498669.946 969932.9032 2052942.519 1698518.66 1038688.709 2197736.491 5273177.851 4860180.4 2953489.296 2874061.767 4121764.114 1987818.252 2112055.922 2931879.078 1449020.248 1530609.089 1385577.763 401686.1243 208244.6105 291826.3405
MFCD02259286 223834.5896 1688999.028 171535.5219 267525.2146 519725.2705 1269048.042 12200802.66 11355198.61 9427694.862 7351935.595 13361431.13 9949888.641 10799533.71 12100695.71 10690986.23 16817449.78 9461710.437 8791765.075 7132065.158 1766369.182 6841072.418 9363532.843 17306762.27 13221053.65 21651247.86 4745677.456 8035098.333 16969534.67 18392005.5 3807130.095 827748.3958 4694007.919 992508.3797 11923506.13 13178375.9 10785715.11 17967645.4 28491599.86 2286746.829 9881571.533 28250832.32 25017205.4 23216236.61 24365499.4 21787250.22 17838024.27 21504406.09 20737373.56 4442227.119 21533429.92 10205307.4 6426757.041 7617812.348 6981380.036 3942280.122 4134144.71 2604807.345 719093.3707 4241208.81 4928696.709 4510094.829 8040483.444 2508813.812 2409848.572 15493870.51 2143621.264 2327047.099 223637.3984 265895.8775 684607.4018 971888.0831 410683.3076 1772414.63 194467.2943 1651162.741 455723.1551 1424254.802 1423162.431 3691415.037 5619.25619 72524.93719 12833.41771
MFCD24849356 76901.35279 144707.8621 179625.3527 18664.31779 303222.8274 156859.7891 1224927.718 160033.5952 230785.3772 3280117.955 294616.8494 448323.3148 293550.691 236497.0427 174162.403 935095.1818 302048.9142 2762639.01 125983.389 1232934.528 286546.7261 344050.414 208863.8867 147995.7814 48200.24121 992295.1991 21604.61945 324392.0715 738733.3094 567561.1633 2683804.836 208257.1652 2057124.429 4718873.583 218470.2001 1010956.614 732635.1365 605511.1016 1275098.638 286764.6807 2409800.825 837022.7121 301950.2908 448722.9283 769827.6294 1459449.697 473219.5389 355632.7624 301379.4243 836010.7779 784859.8157 472322.1635 1861920.544 279402.2259 1379187.663 98799.87831 338270.6075 43627.87111 631501.8176 120606.4304 3642282.467 154847.0512 718888.0951 450903.0344 121692.4893 540524.0912 316065.8526 97691.50176 778502.3346 3628982.92 288913.1385 1233663.339 122396.0907 3530160.055 135671.4427 2495195.206 159858.4531 187279.5205 276204.66 6332.231099 1870.412469 3471.951615
Miglitol 101895491.7 87859349.83 284620577.2 137005033.7 154112843.2 71485063.83 131652641.8 122113001.9 127862235.5 57663184.3 150458745.2 148945872.6 831002797.2 373846336.5 278273336 429130976.3 107852658.1 199845524 181837956.6 179751904.5 112136398.6 103500682.2 61978534.04 86859387.72 59010086.04 158428501.6 107963161.8 103589180.6 84510835.91 158151652.4 135018352.8 82252241.03 113454562.3 86231812.64 110022588.1 94855386.25 93723601.55 107197172.5 136160779.2 97205205.37 109759554 191587783 423735451.2 203548833.7 153457397.9 249938557 174350032.9 358368362.2 370923550.8 88537107.4 363543383.1 78176682.79 135291739.2 96118775.42 116131070.9 120271331.4 185677351.1 121952490.8 134400601.1 195081425 61502385.67 87702441.01 113547173.9 86938103.75 181248848 109043764.9 76775601.9 134864489.8 346344063.9 135801848.4 118100197.3 107406309.8 173885698 211585639 226930476.5 85374288.88 104166899.6 177639750.5 138368281.9 79813762.56 16109817.06 15926763.64
Militarinone A 22889110.7 32529918.19 29073049.09 102482080 62101925.5 86840255.82 37270122.74 43215473.5 22733545.73 48263840.14 21742065.76 71289781.56 90421216.73 114083741.9 34078131.93 116640548.9 38218382.15 62776252.62 41393505.3 42513325.4 58418313.05 79781903.75 79518141.14 74553431.34 21859201.14 22985468.47 38302054.97 84464910.29 44969473.8 35242198.58 58473948.62 125358524.7 55777987.59 68914677.37 35372343.84 41471406.22 64557995.09 22563394.08 50360371.39 33137176.34 78052617.15 52418294.56 61373622.1 58426383.22 87112640 57304516.48 34045534.13 53779431.51 25916002.22 34565460.38 59227225.2 42594769.62 31971030.28 23843332.84 33502465.64 27665829.88 30026084.87 33703859.48 33286725 39052316.63 31033731.71 19341456.85 64859883.7 62782721.77 40861390.09 75632545.6 17836863.75 50732129.98 45824914.59 35135616.18 34362572.68 88399578.12 19787344.88 76983765.89 51940085.21 33281388.02 30281705.34 22691183.94 33087746.51 124653.3757 47971.59927 60476.15893
MM3670000 211858135 131570028.3 310257822.6 217913573.5 247645759.9 195585968.3 108244613.1 98628516.32 88170004.63 95440669.42 106357605.2 107365865.9 112882103.5 65361361.23 122824271.9 263246241.8 88196721.12 183139501.2 210795862.4 397046916.9 34399726.46 135737300.5 142229307.8 194672158.3 114649191.8 210508848.3 227133647.4 148924403 56106908.32 171590709.1 202893091.5 286258173.2 162195910.5 112704054.8 104845021.9 125706559.5 129045028.6 84062954.92 209950952.1 127698931 108278670.4 87519126.15 85834934.29 62831868.01 55245232.33 80695617.14 105067970 82079293.35 67087105.75 75590575.97 106244970.7 446069987.6 663543222 421594781.1 175780140.2 104085300.2 63099816.23 80453699.48 162510025.6 83331821.42 489312265.5 422141798.7 302831405.4 264391515.2 178856280 271558316.7 134036746.8 207715327 263099150.6 200249105.7 147991200.3 133504126.9 111640116.9 116755376.8 153869139.2 97958425.11 91824097.39 118412679.8 94910409.14 25397699.33 21125910.1 41319597.42
Moxisylyte 8573521.799 6789341.117 11966565.1 6214512.326 6049216.842 6725290.838 10747870.48 10627994.59 14055484.88 11740551.01 8596061.116 7251025.685 15672443.1 4461033.344 7255607.113 6778651.939 3835758.608 5582101.775 7448244.343 6315961.954 4615443.942 7701832.657 4768447.684 6310855.957 2718268.124 6489692.61 6363404.558 11865790.81 3333443.506 12446239.29 10760529.6 6811158.694 11104501.97 7157694.237 8785890.605 6389509.455 9201781.201 4301644.424 14972182.93 10902496.6 6877600.24 6202363.169 5936888.603 11832036.54 9229575.619 5890037.763 13231520.2 11813644.38 4525150.586 7746913.479 9726464.479 29868574.63 6631278.373 33449952.46 8181942.826 5421042.045 9575389.903 8859951.513 4264683.728 7002485.034 7009149.716 14225269.91 7731546.269 9478282.548 12870525.34 4484263.38 8040396.419 30229877.84 32852040.33 10707965.73 11928693.28 14627769.25 17323133.66 16255819.84 7663250.63 7731141.772 22382678.8 9363100.308 7528461.321 2395453.538 493078.2184 1091581.641
MTIC 494955.4008 943829.0398 466099.6091 770052.3855 678553.9086 2765852.796 1522424.01 6585825.664 2470487.934 1181706.561 1262996.329 491057.8454 888442.5863 111897.0149 784742.1926 288643.5404 6280710.514 3428753.226 1118215.819 4707813.993 2243070.211 7981393.557 9227619.452 2722334.44 418842.5688 239938.8427 167839.2216 326340.5042 1398242.165 320122.0667 395460.0577 126504.6004 338642.4495 787716.0952 2050557.923 805001.3005 2328221.502 567310.4168 1183795.775 969989.6 1525615.575 873436.2755 7145215.228 2136730.644 663412.206 8898094.485 4121735.432 12035441.57 1610537.534 237565.1627 738278.0477 1307467.148 91084.60403 4987920.425 898351.5231 2814533.66 1037606.443 556600.9951 196014.9982 225121.7096 9284061.217 2218610.541 13996202.77 1568324.374 7019469.378 1999298.924 6495734.995 348931.2454 1868359.774 284593.6919 1060804.908 4675759.154 5549260.673 5339757.608 4363735.409 3756950.035 636635.7402 407553.9153 626699.1355 2355.338408 33625.04914 5552.440268
Myristamide 19908094.24 76590881.74 20396030.51 7993629.639 23115270.18 31341063.32 59276296.45 51694087.18 82719322.79 77878972.6 87960779.58 37754224.82 84059108.02 89327618.85 84361242.09 68207724.59 33499372.07 41948943.65 79723249.82 31326881.53 108022526.7 71810992.1 51778999.51 25893038.13 65176990.78 37530405.02 45517714.94 31717662.85 55263180.96 37774101.97 17739757.79 73307249.89 49425794.1 35267168.37 96392059.41 43280431.54 25277468.99 61013736.83 31542918.41 39824293.47 30605691.19 133162050.4 87481055.65 73931899.06 96317571.34 74137495.78 46614929.88 79149984.61 101733737.9 60527784.99 86738254.22 58600624.53 36029948.51 67841925.17 53628004.56 35972213.75 74190455.68 50113061.69 128332028.1 74151329.82 78713646.39 103013519.6 39804325.43 34303879.17 45192838.81 66119230.51 55146328.1 34454361.13 65597545.35 37323883.29 35270341.78 17604083.85 91019610.59 80521351.51 38105297.88 27855788.42 38431711.1 93544629.44 64938253.41 1340784.148 658135.7993 620922.5785
N-(2,6,10,14-Tetramethylpentadecanoyl)glycine 1310484.207 636360.818 1284144.701 902837.8455 2091313.218 605040.2859 318171.6658 436578.3965 265799.2182 819094.0112 491367.6186 58063.21645 54752.71619 129951.7627 180168.0896 260773.7978 184564.6589 119682.0457 814535.081 130234.4639 1916290.004 858442.7655 984065.7832 1185448.893 706258.4159 447681.9649 100082.7476 549128.3086 738371.9377 1174489.64 514449.4018 307762.6337 295969.0145 283889.5872 1057622.989 304300.2025 209121.5367 279321.977 614142.0636 1263254.901 474466.1067 343492.424 480402.424 141811.6768 544781.8932 181472.0837 192466.539 240018.4492 309113.2104 143648.9481 136093.5891 527469.5197 433717.8973 1073552.023 384522.4242 148225.7948 555605.0587 330938.6186 421450.0983 897269.6417 630497.3404 1062584.444 1292132.704 1744702.742 583589.8307 339292.5572 644711.0154 717149.7631 3129696.182 1890167.011 2478453.403 628977.6935 926051.3959 1062808.072 925352.2969 4259371.188 1634900.003 551040.4827 789347.8379 16611.31263 94179.76318 87455.27956
N-(3-acetamidopropyl)pyrrolidin-2-one 78833.58021 469691.5354 53527.49654 158366.3919 157675.8264 482978.4032 1173128.31 755448.0412 185776.238 366305.6563 280152.0683 241941.4788 419347.2461 698420.2476 196286.7205 125191.8188 188153.5697 1409544.411 200996.2128 1032296.898 296233.3473 268260.3295 732137.2621 386567.5576 76623.94853 354631.0296 65330.93143 212235.782 800796.8014 43565.15101 126889.2285 167570.2702 157364.1456 379270.3932 1508791.283 2489961.249 175371.4532 313693.4937 114873.0357 299897.5845 158498.461 340347.0418 1816205.808 1736476.666 2066955.425 149970.8866 1028687.212 2339499.223 183501.621 192873.7406 546640.8405 186133.2464 123351.2699 261809.9819 482885.8804 141408.8975 405097.821 878328.4473 274324.3428 1123822.521 289243.9294 243063.657 370222.9585 88320.49678 403973.6218 180039.1519 502061.3668 122229.5311 79530.0544 682442.007 143138.1091 96616.76022 311532.7647 52650.7432 233435.4074 143650.4797 295010.4763 187840.7633 251339.0196 2427.730365 39894.16143 14507.79739
N-(3-Oxododecanoyl)homoserinelactone 5405794.504 3875922.06 4132108.785 3162720.079 4392680.356 1945910.247 4161036.071 942001.7979 24648263.25 3375405.943 13594213.73 14706383.41 2381501.148 5214834.324 9944863.41 2168858.122 1942662.057 5198948.069 7738955.637 3510760.874 6083604.011 1503790.501 8357940.627 3439293.085 2890698.504 12353675.49 1343478.268 5740404.508 2739197.162 10726954.87 5971836.686 10560066.7 60627812.26 11619585.17 6945137.409 8969456.668 18110937.54 18683768.8 9110260.928 24525071.53 1578803.927 8583043.159 3674889.138 9188835.581 11777000.68 5537695.731 2160755.033 2646973.721 2528203.726 7666998.134 8593191.687 20721963.47 2431496.46 935533.6847 35760143.45 4835911.802 24090764.97 694259.329 2205746.125 1475340.1 2881877.854 1664916.103 2992668.037 2926729.221 4754800.193 4247847.879 3832883.101 10397634.72 10626070.45 12131708.36 4540740.233 3318668.257 89876958.76 19349920.33 1750579.34 16655085.59 21733316.35 39080696.24 38596696.06 200711.5012 49481.82172 56171.56224
N-(6-Aminohexanoyl)-6-aminohexanoate 224460.8639 1331169.493 474220.5264 200668.9599 347930.2194 791015.2974 2453807.365 523660.8137 456802.6165 1961146.287 863160.219 966924.404 3048459.262 498119.3171 2005304.766 1657951.252 687760.2166 1134134.301 2395793.749 3075118.138 631271.9658 698463.8467 1096174.733 434268.6994 2253268.329 806089.1527 1107358.718 605799.5313 423787.3481 286510.5566 424124.5772 866174.2262 1161019.692 2410912.043 778486.8002 650381.2575 1272750.386 1326732.302 1106160.863 1721658.52 330718.0307 1091108.493 1747011.755 1662239.821 1321786.716 571170.3536 953405.1918 1099840.688 2424961.857 1121585.491 140579.7129 602995.6843 250643.1417 635965.3099 1861431.185 903099.5771 646270.2586 439491.8544 1545265.079 224038.7064 1208434.518 634106.5262 2331815.136 355754.0298 1758194.554 587831.6745 3317639.786 167517.6458 206260.94 1063458.129 1014232.457 994763.5959 2593171.246 425002.4928 679926.6608 1135174.96 1311673.069 5880673.077 5708672.994 3194.193819 42902.11338 6212.970506
N,N-Dimethyl-N-phenylurea 209635.1964 122564.2195 130530.0609 64247.66612 827130.8615 628345.7853 460738.5422 351541.1595 226116.6984 144719.6396 509795.1437 236684.7181 126806.7066 83169.75842 873380.0772 341546.7575 204185.5348 96615.43646 228404.2034 971571.7393 542631.7763 219396.6567 230864.815 219640.2647 456791.6143 446581.5237 439947.0263 401464.0375 326377.3337 550770.0761 1047170.054 341524.1577 362903.3726 116745.6346 326942.4141 400928.5061 744774.0511 514417.6167 291541.0739 97698.74457 128143.486 119534.1242 651281.3293 209856.3967 169589.936 139733.7667 114845.8205 94856.16182 481240.7346 603338.3667 102740.7642 265418.0656 429428.8664 1138112.553 185102.6543 964368.1536 123504.5624 444296.6807 996136.6016 246561.3378 1133390.186 145378.6342 277231.7515 527123.8772 434676.3813 147959.1952 166647.3488 151001.3078 155027.2225 552527.7174 959740.0709 914632.7067 109401.5632 80918.10066 268741.6364 328783.2364 281169.6841 144551.182 292957.9869 68684.03502 37557.61573 39973.42068
N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine 47622.03186 423344.2982 45310.98066 59738.08871 103939.2838 374938.0061 123901.9975 108459.0291 93473.5831 85622.91764 164193.3797 80209.15796 255527.4733 73354.70881 378046.0697 479033.7516 227639.9617 409301.9396 475804.6433 64123.43764 509008.596 335193.9218 770960.8856 268292.6147 557378.6877 78848.9203 70137.34248 701083.2461 501710.3818 133377.7591 35561.19354 112131.0993 68610.14836 211051.7315 322718.8748 419919.2731 938439.4479 525069.6585 126010.5563 1096501.384 169718.4981 589502.1994 754845.8639 768056.2043 377808.0831 259426.0143 121732.7827 410807.3519 1186168.985 334390.5184 68300.10282 92518.24844 71267.99079 391632.8759 58693.56051 70990.36096 84376.16481 234420.953 94136.66896 95312.22971 128662.1308 100267.6982 144097.1125 18197.19436 233184.0719 85183.54263 243428.2405 40485.93962 67697.1498 66635.04774 34489.14445 212042.8293 324473.3398 28063.11802 247268.846 21901.92143 306229.6757 110276.8413 95115.06665 2056.102569 26435.51567 12787.93751
N_N-Dimethylsphing-4-enine 1615768.685 1920535.471 145121.3041 2917421.839 1984351.398 6337279.856 796865.0969 959541.8933 1896811.416 513714.0272 763626.2154 340072.4062 189282.4284 502313.9079 216295.1731 335778.445 1473551.552 301634.5543 649516.9288 323587.0818 832449.0308 1988642.805 684642.691 2881259.234 512448.2458 898175.7537 94208.21796 554585.7094 823761.9699 2247318.702 533201.7804 4632295.798 4286121.438 485707.194 598630.7814 1084564.862 873795.7333 2936201.024 488301.0161 353081.2278 131615.7391 159067.1665 583413.7345 372085.0415 252879.0677 215664.7025 202701.4625 206077.8324 580047.201 384644.8177 244393.0342 745169.316 821194.6402 505325.0911 253781.3574 431322.148 901838.4348 349519.0324 747776.0216 579598.6521 1749631.391 294885.6249 496933.4314 677987.9224 2308247.957 645584.6998 1890421.684 1079690.138 458274.6025 358542.2892 5016980.384 1015231.565 1750315.266 1828301.295 698840.5577 1720264.85 510200.4438 874524.6497 978249.8161 66507.63413 96593.17484 100111.811
N1-(5-methylisoxazol-3-yl)-2-cyano-3-(4-cyanophenyl)acrylamide 182252733.4 109149659.4 323756860 212136371.7 145814723.8 173819937.7 123257070.7 175264964.3 90807986.02 76934263.08 103522746.2 60338346.61 181539954.6 49768156.18 177690690.6 93753509.22 67922026.54 74957900.96 102415206.2 161758150.7 66376300.66 335429565.6 192157750.7 126075394.2 260295867.3 232615264.2 115907779.1 133902113.1 153745895.9 142818574.3 126978929.6 116174927.6 93497729.06 472324792.4 455215373.4 235558425.1 187423101.8 148849666.7 184773985.5 138236252.1 66674302.03 106064526.6 107852017 114375401.3 243904602.4 132858344 53509895.92 176601082.1 78589393.58 76858025.32 53204401.65 80531884.76 157659647.3 64217928.9 81493921.19 82571514.96 62925411.52 86368880.06 154297774.9 202258737 90286835.45 122646669.6 52363226.63 145466530.7 26535661.7 276475122.8 37404992.24 90376911.2 127207157.4 110993664.9 89402790.16 38067295.74 61329208.2 90431155.43 46241563.76 69271409.8 67642659.03 56471803.05 86372281.61 28921797.19 14586563.44 20376505.23
N1-bicyclo[2.2.1]hept-2-yl-2-{4-[(dipropylamino)sulfonyl]benzoyl}hydrazine-1-carbothioamide 42598927.45 28993261.24 76383238.77 69147932.44 56601470.18 59738367.25 5884148.553 14372203.12 20156265.35 7519190.103 24972914.99 13285575.03 5343080.091 3645521.872 11764976.35 4229272.721 17277998.93 39109219.58 5058826.46 7909707.19 4710015.572 13486966.51 58765185.02 55607924.95 19395451.52 18738322.55 34690108.35 20386143.67 18746405.58 19894334.95 72497690.89 58292502.01 45761522.14 26288677.27 16839178.42 57382547.76 29058391.56 13291014.78 66167850.65 29694727.17 26754711.41 19945942.26 15626983.57 10285858.69 7573695.384 6102630.34 11070725.34 9419979.435 5132440.965 6613776.969 5799086.479 97073906.15 255551392.9 648133542.6 19520954.18 28583222.61 16837319.23 12427822.3 13236272.45 29370747.87 618994392.8 573626552.3 174370197 99721096.77 66794663.32 167399250.4 51051270.95 26324860.46 81697765.81 52086666.8 64443451.43 72197667.44 23242192.21 30143657.85 49676730.62 25666825.56 43690178.46 54576544.45 11358608.91 1405054.499 2408715.651 1131328.572
N2-tetrahydrofuran-2-ylmethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine 407331538.5 394905405.4 458057454.5 473415706.2 241426366.6 608003203.1 171591992.7 242189764.8 123827475.8 187688341.9 233109515.6 134795670.8 254285053 156763469.8 274914699.5 181187956.8 188185837.9 227182656.6 187685344.7 154894498.8 206672018.2 449866173.2 289240640.8 279778648.3 302054046.9 363849562.2 335117639 263363971.8 204376114.7 243325729.6 384459678.8 254280578.8 239962942.6 516947062 511823189 342873513.7 333172912.5 169368054.3 451567688.1 164157616.3 149612676.6 129220011 169160370.7 173835262.5 383610756.4 201707600.5 168709721.6 247275481.1 344676078.7 239975388.9 169233876.9 158347106.7 395256429.5 265392544.9 141238993.8 177137134 129215326.2 258412569.2 314635488.4 301541279.6 153336811 180972107.2 194624739.4 364577949.1 168450895.2 157148270.5 119703769.8 280102792.5 140068115.5 193410243.3 195058579.3 112611867.8 63421989.27 175977234.3 156527545.3 161944862 98334464.8 129477418.2 142875489.4 93397626.56 37220355.96 44667385.21
N6_N6_N6-Trimethyl-L-lysine 77938.7934 333146.6459 686932.2574 335141.9502 103041.9602 138515.9799 24002.0348 10910.24209 127430.2245 14051.7755 112666.885 14572.01532 98815.12516 70073.28797 186720.3128 11400.52902 60377.41156 267586.4796 9004.282002 96081.24201 3424.1263 24819.21566 208928.0338 281063.8955 139245.2274 196380.9483 219553.3298 33530.28398 291874.3027 186314.997 213265.7771 69342.66466 1103250.863 155911.3032 6426.468894 15990.633 62497.90499 143172.7487 50501.31676 26450.59537 187397.0246 42231.33751 15576.78239 11387.44633 34948.22345 14327.182 103805.6491 9997.382002 30435.00862 46968.01289 18897.69677 35840.04219 8719.770489 177615.0672 58821.73028 217836.3878 14745.11072 255069.3182 24693.94957 17908.06604 158401.0607 115892.5297 54748.58261 31944.97952 61499.42708 220549.79 26469.81942 191727.0257 48589.77936 76585.59246 6028.273991 168726.3243 11316.76033 24862.85492 49221.11687 29342.08379 14402.19959 499555.2016 165955.3784 9875.166574 27831.58331 9041.482283
N8ONU3L3PG 44980.41221 439409.4678 7769.741925 122738.1015 98173.71602 254074.8273 101387.5888 81281.09787 88288.55331 80873.36847 62903.83493 80055.82243 76783.30316 69624.24154 85305.80922 57443.8594 79928.5128 111945.9099 76701.0302 22531.94937 104730.6582 141669.6825 107050.1152 171085.1133 66187.8953 65498.36832 66246.78648 290118.224 359071.9926 83698.85627 19760.94981 120081.0889 318016.0016 70711.62346 84454.13728 87238.34214 78104.26677 114340.6334 54177.75311 283807.5166 140391.3268 92936.0379 202712.4875 308374.4911 445903.105 487280.3803 354310.447 163593.2644 131131.6299 95239.5151 64511.45949 109824.9299 58604.3001 398372.0535 85201.29892 92325.63331 70971.80313 223884.329 92989.26953 90025.2092 134448.0113 98601.26792 122303.4515 45584.74787 130172.5649 80458.36583 127822.8626 38240.16283 42726.35519 91795.28129 52852.65414 200280.6998 337535.8881 40895.59496 233552.7105 27332.56362 289242.9513 115561.0293 82863.08161 1990.811688 28453.57607 5714.935714
N-acetyl-DL-cysteine 37389.57715 17523.37156 92297.50787 202463.1713 399657.7154 1101350.79 163181.1473 369962.3472 23967.20746 114505.1189 18114.4683 4577.303776 146429.167 1753095.234 324411.6415 254385.1446 24746.20674 197895.6887 764044.9824 306582.9585 113732.5676 272528.8075 379829.635 591215.4027 230353.7456 535099.2114 688873.6227 710950.6596 127372.0293 7518.641752 234108.1807 473705.5374 739090.6657 843915.2743 116566.112 97601.75285 167662.1768 212414.0121 309752.0963 22923.0313 457326.874 95024.29521 63894.18925 31936.54385 86191.88128 502848.8014 50376.03708 241976.8408 262361.5549 130048.6221 43989.34151 10081.4609 215830.9181 162623.7841 31805.07211 96186.10198 56906.81916 11136.45112 182598.6143 24327.34323 975980.7842 101061.8384 2901767.632 64869.37005 150809.9241 246906.4006 89748.10143 2258167.346 368820.4051 434349.7289 573162.3328 994754.0531 506216.0884 84109.01524 1005633.047 90078.23497 6874.496262 103863.3997 313797.8594 4066.642509 2118.611521 2446.834279
N-Acetyl-D-quinovosamine 604197.4383 2316539.806 1245469.49 1657592.86 1575531.404 2263741.159 2036773.39 901868.0083 1344424.008 1477396.079 644100.0601 3887654.475 2327428.423 2311492.994 521778.2887 1264341.79 856906.8984 1318607.262 1152345.637 1861108.25 3020105.446 1580549.84 547608.8893 623145.341 397849.6624 152431.4141 890007.3498 2124609.84 501383.1035 207645.3169 1404779.991 1369899.248 1982709.835 866166.7828 1403622.236 420144.4681 576517.2119 547791.4308 3133168.417 577692.0303 1291221.427 427427.7047 245639.8944 528493.3856 582640.7828 586039.9087 382270.5102 817213.8022 311517.133 943409.9895 1280883.241 1650609.02 1395379.289 1053690.301 512940.4052 861017.469 351183.8106 684382.2782 1298278.317 979762.2592 5316682.644 1098406.68 1484403.017 2819940.716 2652878.61 877298.2597 726058.0696 3627131.716 3601037.809 932820.4335 1316127.563 1787918.392 1294823.939 1781345.89 165390.0281 643940.8146 539443.7731 661589.4368 2320388.925 381951.9506 106593.5745 139744.707
N-Acetyl-L-histidine 13761.43228 14372.7944 46445.00421 45917.44007 35850.31968 58840.7893 32719.24796 35197.9921 25577.39398 14238.86122 14837.91879 12764403.57 143753.0885 697756.0264 27879.26105 10075.27745 9203.863142 57843.1469 333444.4054 61716.45887 128479.7722 6373.77318 22376.15858 9512.337744 13258.9628 7754.370563 22578.22835 28023.42697 125710.6455 22014.07334 21686.50778 6630.433044 13013.39882 45157.30169 10366.24157 17696.31887 48657.43109 451610.8071 120708.6335 21594.69817 30770.89281 13860.16188 232901.4938 39278.584 201075.87 28784.36586 184867.1078 186561.7317 14486.65083 33153.1074 18523.77181 54153.44497 436755.1223 42963.75952 153980.9647 873142.8451 801476.388 45859.49206 161040.0878 12443.46519 68043.43494 26118.20515 10068.77434 169443.2557 196885.7586 49387.81142 31228.89653 7740.984947 236184.5939 99915.72635 8828.243832 49188.11845 12984.1519 49277.59127 20413.04059 48378.4041 62121.31255 35669.72654 18828.9844 1734.841951 1927.500448 1698.35557
N-Acetyl-L-leucine 15276.87818 44254.39934 25486.13492 147438.7712 359198.5889 1296558.401 61921.74306 1301171.599 158405.0421 1773407.393 53576.35127 239844.2584 261337.5219 913822.4397 74889.39683 684191.7104 230876.277 487702.004 410154.6081 29171.87927 131864.7657 189883.6292 192603.6206 651558.456 64754.68791 548470.3459 1071455.446 717725.3014 234080.1396 99117.55767 562536.6229 1052463.874 2803457.309 399530.761 1336695.984 263128.3598 270181.1761 185857.5997 967748.0811 60048.25342 58643.99468 173465.1988 196530.3865 75557.27878 220259.8263 227964.9156 83754.8211 177523.9551 436088.2251 89833.77884 94978.11999 13077.22962 143179.357 387462.6675 438130.0148 17735.23811 128629.9559 21400.21623 240929.1234 82061.16535 565566.9185 148998.7984 3028176.829 1450226.784 930831.7191 427914.7352 124826.5973 763665.1018 2895756.691 48016.78538 840679.0879 1737077.445 206588.8022 460874.3296 1105028.998 116845.542 23507.91762 909684.8996 340031.4472 5275.070588 2748.170093 3173.926282
N-Acetyl-O-demethylpuromycin 681064.0839 3045063.104 4940387.819 3960207.117 2539896.862 5266673.658 473236.6402 1658224.352 2574354.299 1689919.682 2108319.639 622636.9208 883264.7587 1379092.705 973778.6992 1324884.217 2047829.088 3155096.223 2568898.981 4254008.955 329856.5825 8444160.653 3994778.822 5362674.927 1516039.463 2115236.085 3163444.75 1455910.263 1691592.664 2479883.973 3190724.128 2794218.19 7090775.708 2062133.395 1315832.789 3745009.975 2852714.841 1654393.14 3484851.186 1776339.329 1002719.518 1378958.513 795726.5785 858907.0494 631470.6764 608979.1081 844681.3716 346985.107 690128.2575 526427.661 1004522.553 287905.7637 1344715.161 2455983.487 1721626.346 1458262.773 2208673.947 2118650.485 1249274.947 856603.1903 1332891.858 1643651.08 1532171.527 1332890.052 1319150.293 1681016.538 1350134.632 8550376.567 8221473.614 1945695.769 2609629.454 3147174.433 2367373.588 4099912.511 2386727.939 3753343.462 3934648.384 3570952.662 763827.0897 192271.909 146306.6473 212885.4767
Naphthalen-2-amine 665357.6697 3308627.475 315276.0454 182285.4633 1385389.994 383791.8884 246769.9642 426913.2758 133851.7988 183531.0868 395237.8868 46702.05798 84871.89044 68008.6394 466269.4326 101770.6294 275945.2519 132137.8952 257107.5994 79400.67446 143421.1606 964923.739 337478.4805 537229.2923 857529.3557 145520.7763 322223.5584 1040937.942 325331.1101 762581.7461 575995.721 782336.1964 618766.6024 577977.0751 935189.0724 345500.1851 2254956.928 102629.7029 404380.1922 265638.5272 52154.30838 167746.7329 516877.733 286939.518 150030.0353 107173.1112 124989.3738 104951.4274 230637.2455 130259.4062 102335.4534 122362.2057 367401.0397 259661.8593 127391.0313 65923.80604 285672.5561 285473.7465 399481.9352 389587.2688 305889.9446 461556.264 336036.6782 1893235.041 272773.5572 156152.6115 443777.4237 240912.3373 410881.4722 1104087.676 1090770.403 425245.8507 149934.2528 111784.3462 167894.5908 944773.8565 346715.3767 261423.2489 262861.2099 59163.38396 57925.52399 68558.16771
N-benzyl-N-isopropyl-N'-[4-(trifluoromethoxy)phenyl]urea 66612260.3 46401575.39 64115930.53 70781653.11 89699853.75 67157320.96 26440978.1 55994780.05 15837728.84 24228414.4 36715658.75 15203385.95 22187697.17 11173026.83 27594678.84 13387595.99 12429265.66 27198876.13 12593398.41 26318507.47 17357120.99 44890518.32 69557824.51 60189091.93 46747690.65 51573168.54 33893919.03 52093969.62 41332827.96 77648542.54 119320754.1 153054923.2 64325837.62 117458537.5 53043935.35 75068950.36 83120967.48 25462234.82 91588081.37 27823031.33 65829512.54 27673737.82 38922631.74 25950915.81 19368650.63 16413630.01 17403156.36 18189308.35 24024616.51 18191532.35 46706692.46 25333516.3 20861136.04 27527060.97 51623835.97 26061542.16 24158177.03 31701653.78 27398108.31 26883110.34 47171652.43 28528463.4 18179650.33 94979332.7 32990402.94 48948127.85 24536083.41 39410797.17 61651468.78 74227235.21 28042636.66 40866951.39 17193983.45 45991670.05 32102515.66 70573216.17 21665942.43 17417711.76 25030306.96 5112131.64 12916442.58 9918728.309
N-cyclohexyl-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide 265962504.8 205953396.8 150568721 242446725.2 262697668.8 804225975.2 374957120.7 247205008.8 220836456.4 115943586.3 189963786 215653817.8 148110806.3 112911040.3 203229526.5 124239381.6 124900094.7 172793261.4 400653289.3 347814959.3 146280010.8 129589283.5 92242053.69 126619872.4 147913422.2 235040814.2 140049196.9 176420381.2 173777612.7 176232810.2 300348183.9 278656139.1 186695749 183455915 116856576.5 80223336.1 223535702.4 160791729.8 248607676.2 172305665.8 97000313.65 117668316.2 172138301.5 75581814.93 107502529.8 64894656.52 99275817.38 84522294.51 146638817.9 125835112.8 235067142.6 102747850.8 108131393.9 129895011.9 135590986.3 126000624.3 263100583.9 198041822.6 214688469.2 192944931.8 144374733.5 127416974.1 105851658.3 289143322.8 231746105.3 120137384 175807707.3 151074448.3 236235459.3 177499520.8 175085370.4 206307250.9 213776463.2 147444901 137271089 169184677.4 145928522.5 130130974.3 156716741.6 79442990.23 26772661 29865409.82
N-Cyclohexyl-N-methylcyclohexanamine 16354871.66 84186822.09 12754265.91 31669256.61 32458160.4 39823202.67 77095166.51 30051682.54 34813433.52 66866397.54 77766959.3 48061627.07 46602285.02 33963549.12 112531872.3 120827746.3 26353818.29 27594182.84 75008784.92 51676363.68 122865797.5 133057139.9 77006211.26 32475340.23 119998413.3 37588097.05 81838727.19 33080945.46 46656400.21 41405114.95 31979615.65 61068120.13 58234900.58 42258704.86 90976203 51435067.5 36647670.94 114695846.5 40389732.46 38481059.67 32200469.6 135815915.9 92620569.2 39804292.9 54004755.92 87261464.4 66364750.03 65875920.05 164160589.8 65873923.69 104490302.1 81604700.36 35373326.87 65428050.61 26805057.15 54288916.17 61285104.74 50383229.72 174758609.4 111650476.1 69963554.02 100601746.3 24051520.74 28657142.74 53768367.42 34355226.5 54713173.75 20079856.81 29010022.86 93196124.42 25011367.63 23987158.8 139636850.4 63889953.18 31566878.58 35463222.12 17859296.94 104887174.2 72368254.58 1906278.17 1573002.973 3971139.699
N-Desmethyltramadol 22652.24507 116547.628 15004.45802 5414.191178 32951.22229 6401.917258 107388.0255 53916.59576 79130.32954 68464.6715 55186.37586 239360.861 467246.1297 87660.34279 398430.8815 52182.17595 58973.76141 158543.3138 48093.42251 30871.06058 85371.86189 67566.70711 99288.13418 245650.3089 53294.45185 107618.8842 49864.88828 141305.7731 77222.67027 264446.4242 38131.73684 423555.799 50190.74276 126579.7259 128369.9338 136354.1139 103924.752 134288.1357 69230.57292 69515.3612 37474.65318 164389.0388 61676.24178 82282.37407 308941.4061 61663.59146 56188.51639 701513.6381 650714.4804 47261.36959 47267.4239 101533.6207 41860.20014 77406.66493 45912.85027 66180.00849 219925.3461 241405.2655 179784.5267 226111.9313 97083.05116 62439.81448 73548.78235 9785.593642 70167.51737 43480.5599 146939.4063 8070.164198 23101.53622 20305.11085 103183.5667 217250.1222 162275.0769 18470.69149 124408.2527 128370.7217 162103.3119 67447.375 108499.8947 1397.774095 81388.31925 3237.894877
n-Dibutyl sulfide 2484808.026 6297654.973 6124630.028 2018737.847 4842579.333 6602872.681 1152056.52 2501540.511 2178615.722 747273.5297 3026912.517 4635602.295 754281.0993 958635.0261 978739.6272 1232191.873 827085.7078 583325.6265 2438919.116 4494489.259 328778.6814 20564547.7 982279.9423 2673691.93 1827083.704 707129.4934 3529178.405 1411839.971 2889190.071 662023.0634 2452568.458 3698916.265 5752610.484 620411.5895 860646.3095 2003457.85 1121298.383 1320884.737 3068335.479 1195597.565 1907367.331 648162.8277 298190.8069 634904.402 239150.8362 603838.0962 924618.4655 262370.7696 713806.2879 256311.604 195247.9741 739104.2528 1884654.935 1479946.704 467998.2823 1986282.739 229622.0474 767319.8156 578968.0332 396396.0123 709234.4567 3969630.917 4887915.74 9935223.304 4585146.941 4862309.243 2527050.689 3286921.195 5004079.778 3666094.973 596182.9319 1407825.347 2303459.991 4910130.341 3997857.68 929338.7284 1528819.65 3416295.024 3255231.117 157425.8841 662130.3405 526319.7341
N-Ethylamphetamine 1919115.443 7141746.693 4961714.368 5002868.278 2296033.035 4155595.146 1251782.606 3435325.666 2571925.959 610268.5542 1756635.525 881008.2738 1079996.294 2378397.125 1891734.468 1690064.35 2270999.38 5844100.653 5342463.915 15543747.25 723635.0372 6349392.437 2463076.874 2796240.014 858005.387 1166149.447 1918829.523 865376.2149 3080167.231 2366063.913 1397046.138 2302361.945 3853529.246 1938230.922 384259.6251 774264.7809 2146888.743 5338475.455 9317545.939 921841.3312 2214770.499 631610.6383 1315294.613 467548.6062 889548.605 1012669.186 1033510.208 424787.3742 534988.9102 517516.3791 538136.3469 860217.2109 829325.9747 3186159.571 912170.616 2621145.438 574909.998 2398893.605 1537015.66 942307.4364 1757268.345 2373885.634 7691679.934 3586116.966 975489.7218 2880207.625 1143618.134 5980376.488 1164197.199 2918653.868 1046461.068 12001673.17 4058386.148 4344690.131 597508.4161 7433258.465 874311.65 4067976.388 901528.6065 156852.4692 322190.2661 291217.4887
NFP 120793932.9 146472456.5 197961273.2 297423351.5 173567705.2 221860228.6 36283519.67 35720721.66 67012310.03 73742572.01 77516951.56 107612096.5 40041344.64 49726834.2 43858007.62 41365194.04 56714695.6 52518068.63 34523554.35 31312043.31 29805756.87 99900444.06 96289677.11 204303407.1 83010759.04 144325653.4 74722721.56 60417730.22 89968313.34 117459751 144165605.1 115183662.2 234144219.9 143928318.3 85714274.85 123463907.7 96920670.29 52981149.84 126837827.9 80974718.65 58154729.8 21555178.16 20463335.08 19247337.86 20773552.76 17926998.76 18797645.55 20553133.85 23391624.9 18024173.69 35167441.68 21511471.81 64087615.87 73795916.13 43766417.94 37073021.9 84596094.68 162301554.5 69101705.6 93098863.06 58906446.57 68977044.23 216622967.3 268559230.4 177724331.6 133410656.4 47090291.75 230349399.8 145570136.5 171902637.8 88451307.07 83767098.17 108282269.9 274186576.7 176118295.8 73379755.4 57828389.5 90726264.25 77667578.83 13922987.17 24410685.25 19203957.7
N-Heptadecanoylglycine 579881.5979 2305355.953 998588.8712 2198960.872 2097050.489 5578247.936 2003147.703 5642484.539 1801004.92 5198641.411 6184630.001 10740185.55 1998296.767 2360910.169 4895000.952 6408717.042 5019635.337 3149560.116 5532922.209 2100020.617 4234757.387 1713052.913 3823963.851 4297095.857 3119730.818 1256595.797 1303850.914 6506777.434 5193714.377 1186825.425 571302.7404 1529853.068 3167910.066 3351574.03 3901597.381 1661490.894 1380249.444 16605811.7 1129698.17 1578526.296 680655.3802 3898831.897 4310272.666 12329310.51 4756602.619 2805199.89 3193940.71 3141261.642 3221030.093 2911155.911 1156097.433 6601494.276 12433155.51 15103319.13 7963123.249 6279489.017 6608996.597 2824234.581 1947759.162 4521340.639 4252096.911 8370620.419 14844748.83 2561403.413 4471991.953 1993922.064 16797227.31 829011.4441 1591821.528 497087.8639 960988.1817 3004020.205 4489341.218 1758300.454 5886611.628 5617788.069 1212860.36 7114227.195 5791599.903 82389.98953 53698.8367 46831.10815
n-Hexanamide 80172168.22 120459065.5 160723255.9 212042731 141035150.5 109799934.4 98602033.65 88202546.35 88615183.74 94093401.91 79163070.72 30221962.44 92109308.91 60516435.06 93876662.51 55105419.45 91691015.11 75584747.24 99167321.63 87561412.95 61694114.35 199452058.5 99714414.77 128704747.2 124071183.3 110103742.8 94416294.44 177652849.1 69900754.35 139080778.9 81407290.95 98283699.34 111288356.7 76789348.73 103867259.2 95757430.78 125312731.6 62378881.99 127491357.1 77072624.26 98529402.9 64705234.71 78569811.82 88264502.53 69174834.68 84032497.33 80388070.18 105514716.5 83063833.36 58606908.22 85677915.81 103843494 87844762.59 99515476.87 83448511.39 43510360.91 71857851.13 98109221.06 92445281.12 96058232.63 83395577.23 88974872.49 94726440.96 149244411.1 135226401.5 94577935 143018337 111598459.8 108679327.7 80813638.11 104009826.3 69596589.23 87376738.53 66852287.23 85438272.9 129852432.6 135666467.7 95869630.53 98554535.92 10385574.03 20559122.37 12839939.97
N-Hydroxydecanamide 3943172.84 6522653.499 44160895.25 14872439.8 2657791.848 2863121.383 1200601.824 3786918.982 2954539.82 2082040.49 5544742.226 3793199.013 2946489.37 2083289.152 3701548.536 1755732.116 3351121.389 3685659.085 4512456.062 14840662.33 759152.6574 17256773.01 2880694.588 10205646.84 1827049.178 2685528.211 3472312.866 2352494.335 1756847.679 8438918.266 11266641.88 7817759.01 5601536.679 3751985.59 1554437.019 2972405.738 3448954.553 5803069.656 8113867.242 4376345.747 2021529.409 836791.3942 685932.4452 1172890.596 718091.0202 1178200.552 1093059.725 635710.6612 816624.2305 414257.8209 856297.1748 3364347.926 2418701.305 4416323.629 1747134.722 1873901.645 2090023.268 3282065.954 1192966.823 1031047.551 2487852.066 1395316.647 15094627.92 12140972 5701680.643 6138318.962 3162953.687 3762185.865 7778798.143 4540448.203 4498143.289 7887333.91 7513978.169 4979873.147 2552689.746 6585349.842 2437686.44 3397478.593 1801566.828 522156.7007 1178887.897 423654.0901
Nicotinamide 2634236.659 6861721.576 13105052.8 8523299.895 1284445.354 5504571.344 628401.2665 675092.8986 834196.0399 1954391.869 1152484.11 735717.9763 3379932.811 3521616.853 427680.5901 1957376.709 2354905.115 2364036.88 1859850.141 268094.7582 337307.8637 2956589.882 3707268.912 4766648.128 1192452.814 720241.5609 2494754.804 1143876.873 1453585.724 1332807.751 1245471.408 1075746.144 499992.6081 4018358.006 1260574.954 4235296.633 3777173.251 1380775.3 3701678.262 2054443.903 1557097.043 2401305.991 2784338.954 2647475.106 2002055.003 2047708.769 2679699.771 4334669.779 910814.7736 2770342.724 1671306.128 677391.2737 316256.6545 2776998.255 2002033.117 1008049.983 721579.2119 2214812.554 158475.427 928037.3843 2174927.785 1182642.414 785620.815 2052371.466 1724379.823 2048774.049 2393516.583 1496324.489 1568786.122 819170.3411 1839958.673 2808646.751 1082957.53 488629.6615 465814.7898 733655.8169 1788765.081 1184562.928 866845.6601 254632.6086 19353.02567 11427.15756
Nigrifactin 12745886.78 12146735.72 10959362.68 14681332.47 14811109.96 16015183.44 4143625.06 5669407.355 7094104.694 4509738.812 7678768.795 8620351.772 2942646.07 2604793.062 5543467.781 3368897.892 6438174.022 10462584.1 5799269.633 22160824.89 4953171.236 9369404.014 6963351.806 10876941.96 6720022.735 7678459.654 5849142.381 8772395.603 11746056.99 12156138.78 14906835.49 9444792.761 14413832.33 6694399.939 8050587.976 12803641.81 8586758.489 7609331.978 14470427.06 8478394.467 6734847.374 2932140.838 5150549.95 4246763.59 3113680.327 3843119.939 3951900.204 3850604.105 3450806.995 2659371.099 2280433.773 3890987.513 5661708.848 9612321.98 4546981.696 6960239.458 5736364.787 6163558.819 7267022.204 8088709.135 9912446.382 9158315.417 13128160.98 13059506.38 12050728.07 7254870.976 7926934.131 12441922.62 13254321.39 10362219.86 12911456.96 15278523.69 13054738.56 12711954.61 9377843.318 14182945.56 9507766.89 7664666.384 4281820.12 1105635.221 1022659.393 1281219.606
N-lauroylglycine 300318.4957 69649.95816 59005.27208 347501.706 86719.64395 11477.78112 60622.09606 69874.9796 555245.3041 17870.18711 133638.8356 16884.2703 115080.719 74008.9017 93586.23692 49928.48893 56454.89899 50850.59858 843594.2114 42541.29874 56029.81362 125588.9495 18540.50875 205757.7014 75985.96322 130859.6188 8981.274175 249577.7198 41196.01135 233894.3841 119163.9707 99157.57533 11279.22867 70171.3626 115809.979 92845.53783 169103.4452 46552.6209 70615.1272 306822.7205 64063.24533 63988.40943 53930.37309 62108.39705 23022.8839 41445.70015 62636.67366 66755.61311 22957.38344 35222.51981 41764.39947 104606.5614 124759.2351 66047.91625 31837.2507 116496.2414 44068.83846 164984.3592 51392.29802 181681.3774 347937.0313 266584.689 188942.8711 160091.4732 164209.3428 20471.08694 538198.6607 37903.05585 34690.19481 95970.36366 428751.0185 106378.5973 232849.6722 107436.6682 145710.2185 177123.43 74845.53588 121152.6013 27050.20009 7936.539979 14866.09825 8331.528712
N-Methyldioctylamine 2847565069 1897137654 2429368012 1926546238 2076377117 1887958457 794099929.1 1402578008 1427804078 698759867.2 1356399380 1028739783 548686813.9 852855759.2 897163094.1 760484613.3 1222897772 1278922749 517689356.3 1830879847 582612135.9 1671288639 1504747021 1813149199 1015134234 1662933944 1237611738 913805235.2 1375613134 1324794761 1724996545 1796037208 2379141882 1301564156 948561092.6 1627942572 1234470187 1125659190 2045518468 1309450601 880058761.4 1026636613 844935278.2 1265715974 600191609 862469327.2 774873059.8 1039583372 762102788.6 592828365.9 871122085.6 650476437.3 776150168.4 912245612.9 867069532.2 935302326.9 1712892784 1504400038 725007599.4 1111241907 1347599692 998250979.9 893518227.7 1836253910 1751101229 1930002314 948357093 1244873006 1732870573 2251213068 2052950304 1551663110 1924074683 1462388045 1835123507 1470789518 1375433188 1373204555 897850435.2 432403179 312178582.9 210464708.4
N-Methylphenylethanolamine 12229532.66 10082048.27 10479411.04 17590415.5 21903661.12 8262036.032 8831357.915 10859301.88 9095967.692 7161388.979 15671170.98 10959231.49 8153307.477 9207211.269 19023248.14 5297301.403 10322145.19 10742146.38 11243948.09 11573735.67 9211081.765 15075325.67 4872879.15 9489804.964 27186516.91 12400617.54 3680842.53 14171018.06 8999409.629 7952600.823 27882612.15 13383011.15 17867169.75 10270344.15 9083692.693 6500945.963 12684322.04 6984087.5 13633084.65 12996762.34 8427099.46 7000355.044 12265294.72 6924071.4 10392142.96 9594772.754 8703081.445 8889516.417 9409257.812 7892799.331 8582904.749 11680071.19 9957818.481 25468168.13 6306822.128 6864848.69 11309331.85 10497063.28 10983166.91 17459056.71 13179730.57 10064536.07 14158719.22 16681128.16 19742814.23 7192040.448 10417652.17 8175482.31 13602130.47 23072594.7 26039141.34 14840214.6 11457804.08 15292908.33 9561358.631 13223909.08 8445296.862 6192060.492 13281064.89 1878532.577 1125699.644 1429517.392
N-Methylpyridinium 86833810.23 130119548.7 89289618.72 123388317.3 253893884.1 147567658.6 49764678.4 60403902.63 63246735.48 38760821.65 73423338.2 136840051.5 55021887.3 42977698.02 64724354.15 48262582.22 44585887.86 30073054.74 69199944.73 82599049.27 41733631.13 110621021.5 78744316.34 94394624.28 64951681.32 122486064.6 125894633 100576598.4 76617581.89 80476349.76 92938619.78 78495573.14 282284237.1 133501694.5 101214191.5 72079257.48 88451733.87 81303894.71 128220815.3 61183260.71 65669163.67 86197098.43 32719543.34 49202323.17 79521977.31 80499348.74 25762356 74793327.32 71093987.56 44290923.72 46527535.7 32396317.19 60274801.47 60205055.09 59674869.48 66005428.75 40659389.47 43659394.88 121402385.6 71147168.36 52755138.96 40544612.67 95343305.37 139566948.6 95084696.15 60245590.05 46451714.38 71945525.89 76053816.69 91681347.7 97966060.48 52900012.32 72090175.53 67673468.27 89879710.1 96118326.76 57805186.5 49120851.39 79537266.4 17164191.22 8978107.525 12669945.15
N-Nitrosodiethylamine 13482.99977 18193.22472 9724.254156 15902.50464 14063.39294 46412.26951 4616523.113 1454706.29 1146993.091 66200.19651 58795.35771 3928630.582 4295751.205 4070552.212 518402.0853 3039796.437 702284.5425 1092812.947 141088.7762 187111.4843 161464.2647 36388.95325 182226.1595 222866.5661 784172.0979 123358.5253 525594.0718 180616.2835 273778.1358 150712.5782 108545.1138 10373.24016 13179.03189 540092.802 122389.7824 107791.5694 110724.8235 4535108.341 20324.08695 82064.91025 55576.64805 2293199.89 2494478.238 322854.2946 1811791.437 2037800.57 1952360.593 2339685.672 2520676.009 1757698.183 2972105.461 1543887.04 4273911.576 258918.4575 3188401.515 5243127.608 437288.4042 97178.74977 1348823.489 1703607.837 39818.21361 382498.4353 185165.0032 24384.12131 289039.9423 83566.44889 296704.1223 18476.97098 17071.76021 34926.08034 212033.2434 179471.1031 493988.7657 30302.3659 557906.4528 332666.2454 1117371.714 116763.4433 1337474.329 6108.727878 13052.562 5274.977848
Nonane-4_6-dione 45204.81779 346418.5776 209062.7642 16584.77007 113773.1694 139675.834 120452.8548 194459.8494 299131.4013 548946.1516 482411.065 311546.3986 647317.7035 492504.4385 178723.7766 215428.6856 82048.29171 150396.8307 429339.3008 299182.8514 178409.0639 145701.4826 622616.9222 386757.182 387762.1073 257185.6062 272797.8413 95840.52841 329556.7207 163141.1605 242070.3174 202032.6762 91175.43263 126502.8794 154421.2821 158910.7297 210573.1028 392788.2479 68344.3133 234857.4154 137353.5554 460590.4126 356947.8266 227440.5002 533643.6074 162964.6684 295406.3015 316445.6554 114811.9722 122911.8901 82765.42607 287769.3814 69372.92995 119531.7393 440084.112 107155.409 215913.0638 185266.7725 253552.9724 172960.8866 519196.5749 224654.6855 443405.6586 64235.04402 512583.808 103542.9234 220251.2306 36585.89015 102714.4595 105983.843 64457.9985 49821.99946 229516.3493 158791.595 158857.6156 228519.4616 220239.7877 1185291.396 707150.3565 2207.037058 83858.22877 7239.925454
Nornicotine;L-Nor-nicotine 462619.1944 853329.1146 252096.1148 878443.3535 584440.402 253640.7224 782256.975 516988.5433 279453.2327 521252.3422 309461.4016 264765.778 341881.1874 417658.642 327317.8488 1021469.957 919125.4541 636275.7122 341824.1979 903256.1521 331316.6684 560450.3888 203527.7068 218909.8159 340804.4701 308154.9655 669690.4618 225344.9953 548776.6848 202398.058 1611245.675 584212.2318 1845672.589 314303.5686 271028.1986 690955.6245 403511.8081 415068.0538 641871.7983 350353.3061 1836092.224 629476.7537 619065.2102 567657.955 650789.9405 507758.0128 565982.4148 588589.4213 217659.4752 518277.3903 755183.4517 335215.6135 253045.1482 486063.9224 350992.6528 214874.2019 498933.7042 475962.2637 424748.7869 452714.054 1074790.745 435076.1604 1184693.157 484711.6847 466745.2473 248441.6495 747324.6865 626145.1603 237390.0461 715186.3304 303300.9701 208126.7616 1206492.417 391555.5193 281815.7782 3497687.948 279230.5924 312030.3266 338786.0524 52144.9845 58980.32904 54858.73925
Notoamide E 24584.74699 72490.53047 11039.58358 22109.77153 115353.4509 790615.2586 356967.5148 72391.13057 40277.2384 303263.0066 29478.91036 49716.77077 72476.36951 66598.0572 332350.4286 155775.4531 232145.5658 112809.2691 13738.04786 162270.6123 479942.7058 201995.9717 131556.2979 86776.38895 202217.8501 1309319.278 558599.8549 244353.4181 555412.5538 204023.6335 605205.3347 29715.22761 249273.9275 389864.9873 269030.1882 125054.677 64530.74358 249694.2247 923997.4146 93445.66224 377066.3366 294962.6969 70042.21723 148052.3498 140996.2645 122516.1439 57937.19484 43975.58548 30706.0173 108101.1674 54855.27245 331710.4081 852858.228 108839.5872 405051.0527 151898.5783 26809.80217 61762.94223 193233.6544 320370.4907 472723.0242 287801.492 320365.5722 822073.6725 136717.2332 184211.6389 138254.324 1763435.361 199440.7737 218422.2166 91579.34037 104333.4534 58221.06241 1185384.234 2088359.445 1105821.272 381137.6849 265760.4591 241740.1335 8964.389359 2647.898564 4915.159542
NP-002105 875966.3975 1573111.07 2226225.189 8008204.131 7327362.031 8602130.649 4007062.773 11078446.32 7628630.721 8843103.965 5779753.001 1367239.312 4643368.329 14895591.76 5650059.043 58503808.44 2609771.143 4214594.902 6246327.263 9290231.503 1233818.614 3322456.689 3058546.69 5453548.937 1742143.657 4310023.997 6273821.616 10091554.2 7256222.622 1910510.753 11004205.35 7871990.006 10267340.97 4951406.853 3743708.764 2154715.667 2991829.57 3760026.931 9213659.523 1770375.623 4177870.741 1237073.184 1260147.554 1245980.811 1970130.663 3895506.736 1169877.257 1911650.711 2446824.942 1570031.573 743430.7772 2599369.94 5788598.2 7199216.176 3507716.503 4137685.745 8926476.997 1654828.251 4853300.663 1967576.11 15169038.58 2287482.936 29087080.25 15210244.88 7170451.082 3508580.156 1877803.873 24021180.27 7765175.394 12274388.63 9157006.403 13305158.31 8428640.878 19599474.34 13885549.36 4431047.78 3907675.469 6435544.674 6040228.268 50699.08859 36242.42769 40777.30739
NP-008993 774126578.6 1036199885 627919521.7 370375790.7 352472590.9 469535723.3 70784654.29 33017918.32 34506573.87 683170430.9 381011618.1 900630110.9 172438119 655020127 549677975.3 616082279.2 1205818597 828124450.9 760359386.7 770540216.9 1470148077 1017428083 489486728.9 547581457.1 727352710.2 678287621.6 449738531.4 445905257.2 455089788.6 740454783.2 588443553.9 713765981 825126441.2 587125644 1053458283 997123948.7 48372883.61 60179678.73 29706965 24210559.08 27271924.8 59277997.31 53690413.6 53561484.11 80481548.59 56384047.01 63726747.51 70466486.64 62774133.72 74940496.21 23811495.35 528122330 654237358.4 49371129.57 788413516.6 757378967.9 879354862.5 353235124.4 651500618.9 548214956.7 356554364.3 515309398.3 203783196.4 207007128.8 131918326.9 1361766038 331054631.7 481942517.1 456232293.8 259638157.9 67334474.13 52105313.13 39460284.83 48032125.28 30154985.88 32092450.39 86472182.03 29516698.87 112344429.2 359432.1585 777944.8659 137052.2238
NP-009373 178276910.9 44587415.38 94804238.47 84946390.25 77675979.77 114449338.8 30592871.8 28940411.29 63291819.17 27066776.53 30111333.79 35672972.93 24129329.22 11265956.02 65231692.83 6013615.722 78355393.6 49271839.78 28058279.68 51826087.24 38619035.32 51426702.13 63145019.03 114246431.3 60901199.16 40770914.72 71610320.94 67609763.16 35035259.34 163950001.8 124257789.2 164728522.8 59269657.09 54329587.31 132917918.6 125433314.2 130357847.8 43514769.78 91642860.67 49769013.57 25311813.72 46842077.65 28232609.91 22616417.3 13781443.26 17272810.45 35149278.75 26420611.66 19315370.57 19611720.15 33159262.28 572715216.2 469802941.1 607056582.7 76388628.5 56220025.29 49923465.38 64452946.16 28262516.79 41155214.41 1040965830 800973013.9 490337807.5 182730604.4 136348551.2 168469479.2 130924099.3 76573335.48 155649624.8 62408563.06 193292197.2 127188799.1 105304625.6 72200674.01 68451894.04 53266621.75 82925916.51 66651988.57 35195412.16 13860824.55 38177732.01 12154354.2
NP-016596 85799523.22 82339596.38 119742401.4 112075244.8 101110161.5 93144713.97 19537889.71 47941817.71 110571103.5 45334364.51 33618504.73 25298864.21 18436655.77 12912390.01 29902791.39 15863915.15 50609390.66 78136843.65 22176703.02 51893287.11 16238315.98 44447916.75 99943000.36 108742501.9 51665964.26 62329047.15 73698238.2 48900043.31 45735398.95 66377985.35 174824387.2 158564297.6 103664340.2 122836259.1 54411595.5 130041006.5 137524413.7 44937983.82 87745860.81 56211814.8 53269236.78 42363649.46 32031451.42 21238441.46 19101754.31 14013731.39 25358901.23 17948285.27 12651938.23 14795044.29 24631700.69 349842794.2 1134086705 1099402774 93892912.99 53669857.38 56758292.19 40506091.2 18507713.04 110486281.2 914518695.7 878449222.7 489406109.3 199225727.8 181829294.9 275685606.1 240082658.3 94830351.58 134207921.2 83238912.7 141426790.7 156030487.1 77171424.4 127248622.8 126810184 81021294.87 92236168.05 81033452.34 46375186.19 3075773.674 6711778.8 16194459.53
N-Pentacosanoylglycine 53438281.6 38598487.78 32215614.83 65647703.9 46831514.31 113618777.8 36259633 25835441.75 96915717.7 28292009.58 59987951.76 56739339.56 40326976.65 61960010.72 63779885.94 116488066.7 112214470 116640684.4 115749812.8 17882033.79 144045550.8 30638306.86 95343331.96 133449994.6 22290047.37 41178834.25 64418038.98 75851268.69 53037554.03 54893075.13 57629518.4 46669547.14 47359171.12 64136063.62 30879543.53 118871616.3 86556297.56 63885907.39 114874952.7 70735915.37 70273909.31 132090199.7 136330573.3 123295213.7 96008723.91 102502353.6 67690999.01 78740298.62 59948762.86 89370698.16 43187355.06 33146418.55 26915485.33 14147773.2 105187744.1 29160531.97 56598524.7 5887274.499 5234709.955 20314935.47 36735938.12 47883143.27 26664026.3 67718041.14 36424091.19 80285380.54 42597340.2 46305343.52 227089600.3 43873448.32 250071617.6 67264406.43 95324457.86 33531203.37 68837404.75 60943146 40675903.65 130616697.6 81068582.35 158957.9677 57567.90749 63498.93933
N-Phenylcarbamoyl 3-amino-2-[4-(trifluoromethyl)piperidino]pyridine ethanolate 118575828.5 29245117.87 77137268.95 76064415.93 8725413.547 20658578.41 20908027.33 13027375.57 74619686.96 21168547.24 13722728.16 12710687.94 17845559.98 2986792.946 31515791.18 2151752.449 21810284.29 33345925.61 9912191.084 14381430.46 19375201.89 12895941.09 29775159.09 45203302.98 8695579.695 29128100.62 25005669.24 23296318.39 11261661.62 76896617.8 84279627.01 56004622.13 21689189.71 24694455.81 57315685.93 70172467.42 45040956.66 29689427.99 52700844.26 24746187.9 12164424.71 24245306.18 10212869.8 4232628.756 5474746.851 7516131.223 12811519.49 5991699.417 14225838.35 6621473.673 18396710.74 109939473.1 97839938.69 410122538.7 46738371.62 25464164.94 18352696.17 32436582.11 7926857.065 52557807.04 348000053 143629825 67706353.47 69069600.9 73984548.81 25266359.73 61272513.89 55196212.71 34662563.81 11027803.52 48966505.91 28330839.33 55428958.12 29586935.27 61814323.01 40075153.77 20851442.47 34107206.04 23244664.11 2394783.378 11553436.77 9217625.937
NPYR 107092077.6 28875209.01 140643171.5 102960601.9 14000198.37 25486194.82 2117040718 1811404441 1846163092 657246091 1618619097 1127831223 1498745981 1183496419 2034574736 1150917158 1843818769 1180539381 1730908937 11711749.43 2380560979 133888820.1 1462187675 145657005.8 7013796945 1164334650 1315705880 1316082305 91195399.97 88103757.91 133484750 118924074 177783410.1 1308067987 328833441.2 171763072.1 56007671.54 201760833.8 36953191.33 2052207045 1186108679 1341701344 1340058290 1221446607 1441064819 1166351127 1395036747 1359693353 1389199299 1411385091 1374362682 2296388942 939556700.3 42857525.98 1616663849 1414206807 1793563886 50240590.5 1462153224 1221677963 132476354.1 195480509.8 45965126.52 36820122.52 30927167.8 103665196.5 56050258.9 102423609.2 19875503.93 17999845.63 63234751 159908067.4 31288198.45 80714612.58 71514795.38 57953744.34 222918638.6 180493266.5 1988805892 762156394.2 4227375.068 2876215.416
NSC 622050 8412.087843 127096.2426 8159.007795 105430.0324 44086.84453 11544.18944 13567.90247 53249.34571 6576.602368 5066.891937 35722.59643 12461.17333 44978.87444 41624.46913 69014.95538 1610.289069 9073.868648 16902.10354 25889.62096 22606.30054 33345.72867 7405.476544 19980.18385 7624.597509 56671.32059 137150.3743 13863.2197 16359.64104 117851.2585 5015.901763 157226.809 31292.3762 3314.113269 141550.9636 241988.7765 52213.62388 15205.58149 7371.497314 3220.184773 82046.36295 2526.863041 30415.34711 36957.71494 22592.71688 1376.647716 6288.727075 4337.754732 9907.104442 10815.21773 12550.41342 21768.54321 11261.2368 17094.94568 15766.33146 20442.19888 5633.396427 72558.7914 18199.62746 38140.42751 17915.11138 37050.48775 18325.09152 104979.1662 73117.31151 16778.72077 38157.35918 28289.10348 3959.91765 87979.13 53973.18951 36764.08997 37071.315 25045.52412 6869.94769 40159.20754 124895.0269 65977.62025 36366.40228 3776.205551 2998.918757 4624.763552 3920.317784
N-Sulfo-D-glucosamine 194621.8389 1121481.498 44398.87523 99873.72898 70112.66857 131579.8491 5173634.997 2028233.77 1634753.506 3541954.542 3121425.65 7406940.165 1538334.297 5009270.352 4436770.372 2286286.917 3033655.6 1319549.583 1703867.243 738155.9292 5456582.354 3552412.117 5083674.644 3665145.51 1718113.145 335108.6812 3947894.222 5144764.488 1995767.481 4833819.567 491088.1543 1543483.114 217653.8159 1211498.09 2840850.626 4206104.288 3510139.917 10694753.91 146152.712 2025727.406 2706633.305 4449865.788 4746107.007 4337958.818 4664440.013 4031400.55 4447003.012 4408768.927 2372543.251 3356211.814 4114143.731 4145921.072 3289748.019 2456280.202 4158298.577 1290652.838 3631612.209 2297006.001 2064179.515 1588631.187 3140125.473 5594564.238 5522214.826 259629.1111 4633136.859 2456798.609 5484851.168 106238.0299 126590.368 301448.9662 863059.919 1693198.88 3795275.89 167997.0799 3243600.916 6532453.681 2702338.669 3419609.186 4760319.373 4180.496845 358286.8224 107601.818
N-tert-Butyloxycarbonyl-deacetyl-leupeptin 539535.2638 207858.3664 933678.0631 224086.5604 522937.4567 765703.0555 246526.0761 390190.9063 810013.2112 1264867.636 524311.6361 75007.69026 193913.7888 364710.6877 378015.9072 286012.1241 209031.1508 402979.1794 612348.6871 485779.9066 99390.8089 522893.7334 406798.7131 1013798.222 173293.1508 481378.851 316034.0422 476760.8968 132003.221 95030.05795 839194.1154 357284.665 696576.0624 361321.112 412145.006 409528.0908 605031.7112 283985.3245 804700.6451 575108.6706 574377.1491 134265.7563 70772.70901 137409.8847 254748.1075 178565.7703 168871.1343 236418.1661 102246.3475 175204.2902 90498.15166 85472.40696 37476.66822 518133.0869 451952.6492 567535.4812 301613.4988 58686.28534 148297.9751 56367.50093 529222.2875 344085.2015 2223116.59 908456.2826 1242480.718 495120.719 205064.0145 3641105.804 1323312.375 629542.1026 700145.645 2129255.486 999098.7713 466998.2484 1239543.794 177382.1095 632074.3737 413924.785 385644.7119 18584.14107 7618.596795 8233.778494
nufenoxole 42646.2423 323257.5599 45589.17702 83121.44644 24598.88669 21531.77496 191262.5008 47629.28526 72569.22838 162230.9486 68067.21128 414544.4883 53814.41437 64599.51795 66483.24268 149049.1933 53461.22711 108505.786 48715.90955 210825.4634 87490.56534 84580.96928 76235.20056 50381.75647 58223.69343 54776.59557 33619.68472 83460.39636 51159.99833 19665.6037 254632.0896 72580.16704 194291.16 96062.91624 108091.2608 469422.5954 82560.65259 347257.664 300875.8289 65667.76262 29670.90007 52770.54887 241875.964 308725.4193 68742.57995 38578.76401 49876.05752 52074.44286 48773.63236 62066.00475 42465.05231 66000.67199 138096.8401 113626.5772 101989.6026 34823.59067 45436.73118 135780.3609 60938.49153 52963.84697 55149.33403 71225.33135 91845.28341 104648.6326 85446.17537 167363.7824 168280.4867 11075.77135 48556.90266 155694.6587 104412.8501 22308.58508 215475.309 29630.22488 119262.2542 134993.62 193170.2163 68661.22292 144148.3028 1351.341015 19291.88089 3185.631517
N-Undecanoylglycine 25134966.64 8131224.225 7399849.056 18722650.96 7634096.228 14077879.14 7926163.147 19692205.57 10928164.32 9762904.941 12392626.66 14559785.16 4158047.239 18570779.2 20748392.02 8315964.271 20814045.51 11524162.76 30608116.95 9717843.949 6824521.09 9027106.597 4912238.444 6644529.592 4581366.44 5509047.016 6576582.632 9470326.602 4892609.222 7666725.197 13554831.34 4200990.397 21070504.73 5166297.106 19322957.17 12207261.69 3579814.721 6303042.972 3870343.004 12315613.23 5894552.718 18058165.27 33363482.84 32396881.68 31090879.75 18599065.84 13522082.77 17485974.8 30425787.33 23496145.43 3086348.511 7320053.859 9530962.594 2532139.01 11510583.21 4444612.022 8854163.848 11587077.6 8622342.845 3664641.657 10096812.83 5422609.443 4110681.015 8229946.212 4766301.887 12139284.52 4818898.451 14513946.09 8114980.607 3927404.413 15722908.32 27113447.35 6158855.259 20056662.73 4413740.855 8881130.929 15433465.11 10002606.22 15413501.96 459397.5164 276656.7414 241057.8435
NX4900000 162552.029 761937.3736 520204.1527 923736.4814 1106417.75 1285599.097 1400060.682 1287952.158 470705.8988 275566.6119 2206988.732 195155.3788 438941.1316 383730.3365 287940.2595 303458.4401 1546411.578 336779.8129 933403.0274 172221.4771 5867298.416 412635.7832 921714.3486 404095.9148 487904.1775 400089.8819 430492.2611 3405749.047 384484.7918 609545.3901 386437.5586 1116714.024 233287.8553 1155086.75 495353.6729 657861.6814 720353.6656 263606.9064 530426.2902 405239.4731 151737.2529 284863.2414 954497.7295 328686.7199 349915.2841 749620.942 363056.1339 319334.3964 583069.8541 392562.0619 241256.0425 1763532.2 1091487.332 443069.117 844322.4203 460571.7182 882846.6651 572410.2397 590184.8641 748992.2138 1100316.086 686701.0911 1546864.429 1042982.163 1385738.817 267904.3897 1398068.687 459609.7247 279324.5081 893870.9431 349323.2711 897762.1792 1136271.815 441153.9013 662234.4575 2916924.407 309409.2068 839909.2225 889726.4683 62793.13432 419201.6906 70398.09897
O-behenoylcarnitine 36166.10258 528831.2032 776208.7308 546270.6625 35314.80533 425461.6296 111262.2602 16916.4879 86881.4668 418455.1216 649080.3585 129083.3478 334249.2883 162910.2525 55266.02221 631338.1862 114646.5704 306140.6861 1160745.617 34137.27245 133650.3634 663095.5641 709544.3266 3007409.406 379880.8605 20232.13419 13420.01925 59231.33815 100471.9761 193887.729 764094.3841 1202931.483 15424.77606 647813.3191 236125.7896 146189.2738 1034811.551 343665.8893 945404.8519 175720.4309 756525.4567 180122.5019 391585.8307 515997.0922 196775.8378 316090.2566 392745.1962 168940.829 161189.4439 80796.03626 307906.4172 5233.570452 115506.1019 160228.7676 205245.65 164929.3857 58079.40286 134638.2352 48022.37657 22940.89031 15989.25759 71375.29847 746389.204 307106.1564 507945.3152 192670.973 195000.4467 161075.6018 292106.5347 27908.02989 383872.8949 620065.604 388803.7191 135510.8213 45656.56369 43283.82984 41806.38355 73101.24234 107221.0672 13452.51038 2231.87564 1796.594764
Octylamine 107251953.7 161761744.8 91629569.87 129435423.6 141742442.2 144720646.8 306883046.9 259572722.1 214799954.4 416510468.7 445542812.5 147981470.5 225171390.6 186770105.3 652907380.8 177422447.2 266272725.3 254961222.7 313577149.5 324511124.6 486437031.3 108114808.2 66310525.37 69453692.8 249011811.9 304171535 303876331.4 240541321.5 105516868.2 98842154.07 249362805.3 145562961.3 109849613 254103423.4 352088765.8 272502013.5 392306188.6 220545448.6 382738203.3 346007389.1 264443561.1 191823743.7 341842773 245087879.5 273482067.7 189008347.4 352683835.1 299670582.3 316413238.1 183828969.3 470475966.4 301320341 296987956.9 823857092.8 294542642.1 316622043.4 266851940.1 522425861.4 613423282.4 698026598.7 508165097.2 387307189.6 327335239.9 135681955.1 425371653.9 88218251.96 578702796.4 420272824.2 841635767.3 685699209.1 860511780.1 350737129.3 325441213.4 418808826.9 260556473.9 759847131.6 468443494.2 322428527.7 447814144.1 102124415.3 11700953.65 19668512.57
ODA 119848347.1 97304467.99 122386718.2 133274876.7 70751828.59 96055476.24 155469717.5 116144951.4 199265875.3 95828116.25 124652975.3 135255366.6 89480938.24 122750516.7 137759079.7 78719009.53 140507213.5 85157194.74 188573661 150350381.4 103908796.6 129662745.3 88207412.27 102547031.8 104145661.1 161679376.7 110740781.4 177426702.3 89922120.46 130694743 141671582 103130603.1 112076316.2 124304420.3 218325723.2 139517471.6 156656053.2 83914918.82 184799973.8 116206660.5 64080995.69 100361930.2 156446677.8 189529659.2 160439615.5 103139095.5 101267441.6 200469195.2 171340624 151672791.3 203704494.7 88051812.03 92643981.95 94691149.56 79024792.77 93767863.85 113860425.6 134086044 196849247.8 209114447.7 59365851.37 108918714.2 85136014.86 92579154.02 134646952 191584194.9 107479910.4 108200989.2 95842156.36 151804241.3 161816665.8 110097539.1 125046432.5 107523651.5 106971334.7 131973690.8 133530937.7 85904100.74 178202459.5 24164024.77 14144133.12 16226898.71
O-heptanoylcarnitine 127682.2183 310612.9899 92617.63962 370954.895 116711.6186 739240.0274 536854.1129 927168.8365 262093.8485 277462.4764 163757.4586 526290.9643 381901.4063 165811.2042 408421.6039 520720.7875 62168.87583 574737.898 1153277.479 356517.7673 625187.0648 928962.0362 254002.1843 351483.1595 1691582.403 505687.7994 493849.6334 221741.9256 330782.2249 124107.1353 574252.2304 324306.8711 235483.0007 67173.5991 311956.0231 509236.6355 161499.7441 701143.7901 67142.00951 120762.2928 71975.32631 113670.2076 383354.3558 1249657.791 1281756.133 538056.647 2249066.365 2547883.391 195383.9882 166977.0347 42753.8567 149143.3373 281093.9899 170242.5337 292271.0851 188552.7487 211913.5795 433679.3187 1180712.593 521789.556 444180.7057 602713.0082 518769.0156 247942.8345 492070.7697 289014.2226 667841.6642 73178.8805 64535.54018 758145.6327 316560.5443 377801.437 332924.0106 37569.01552 236875.5602 170576.1953 443166.0653 484440.9404 465201.3398 893.7863301 29320.45516 4279.245259
Oleamide 11433149.33 33039273.01 21296597.88 3629015.253 19692642.8 1964643.259 5620526.602 6720076.691 6092987.348 18097737.98 33737789.97 1597761.862 1260436.178 20356862.25 9312687.078 4987309.319 7417405.434 5398043.471 20835792 31326858.68 15400815.82 11118705.01 5611523.899 9114518.899 10553819.5 7704012.934 13999872.24 5241759.131 7587815.471 1492027.338 5587717.09 10149395.18 2085547.035 22921209.01 15371219.99 12021213.87 14885517.56 19453356.84 7638013.952 11419858.24 6096494.677 7140866.599 3960474.889 1692892.416 3317463.506 2742629.568 1708543.178 3761386.217 8987104.456 3128507.42 10917856.49 4573013.612 13792122.93 9236091.028 4716421.303 6676800.454 7606908.342 8327563.965 15546731.54 18124824.38 7545457.723 6790440.438 18260259.94 13954508.65 14300711.81 928919.4325 18544801.66 19637361.38 21805053.53 36573594.94 26775537.7 5590054.665 3504690.206 5278877.26 5287865.471 27214413.99 17667446.01 4196212.769 11852101.77 815697.6512 369775.0774 663016.1075
OLEOYL TYROSINE 92749.80696 556266.7016 62976.52546 67556.35389 185509.8096 568236.9562 115972.0509 88802.94704 97982.58549 98019.83257 108768.2343 90986.64071 93135.38473 83616.96367 112613.3558 84697.24771 95198.94001 69438.9595 93425.09922 176632.4677 154240.8798 97244.90029 91890.87607 100578.2403 102645.0528 96568.01577 70052.49777 134958.2232 95955.24664 25687.92658 399993.1376 136559.3449 185143.1089 86650.85773 118037.8762 147835.6303 125546.3638 164640.8824 93055.57573 134281.283 58014.8984 89171.15038 93618.38321 96829.1781 90113.0629 81928.42067 81568.51378 83371.38883 89461.59991 86896.68757 77345.0025 894957.3857 116151.2316 1890615.665 99938.3077 72032.45972 86800.14678 267840.24 106923.0952 98074.08821 1479784.231 7009662.448 8261745.442 139225.2407 287779.3529 107970.864 347422.4154 33135.50065 68168.24785 65743.00821 184073.9032 25385.87855 341897.5943 52236.39757 216956.8916 169008.6157 347087.6834 144901.042 123197.7518 2602.076152 31652.87274 4632.934171
Oleoylethanolamide 71663.24377 244086.5095 289214.6828 225784.1783 1102325.283 1530280.051 84106.63355 243597.455 453332.2895 47488.11679 130896.6855 110537.281 105410.245 38354.74548 69444.71265 130492.2679 42070.96766 290607.8387 149314.5411 544844.2809 161032.9966 488025.8163 425504.5727 754721.9937 321859.149 324398.7837 163874.4052 328721.4608 92532.94278 33899.77717 265366.4372 358556.5773 510265.1752 355231.5717 110008.9928 141093.1296 78409.20725 159119.2032 505608.382 159823.3413 24512.63006 27201.53647 57729.05419 62558.83456 51192.11393 81625.19157 23538.80478 66974.40296 157057.1628 49266.20986 90980.00236 312593.2088 210448.1851 586084.9674 281098.9333 138070.5384 172486.9304 65943.58332 138886.9459 919771.7746 535829.0973 284410.2328 2342313.163 380756.3059 392456.8961 677757.6194 258684.5317 1068284.586 268665.4508 529695.9271 315973.036 674065.865 92996.78563 528785.8197 739245.4895 542528.6197 421502.0616 639052.587 194105.3894 61227.27806 40603.54296 14246.45948
Ormosanine 163770527.6 139791988.5 137290097.4 100337426.2 97448593.51 173692061.5 92482309.22 92374825.04 73640511.88 141451012.7 103184639.3 105902502.7 84694461.91 69118210.43 72897865.94 70905843.75 79909622.92 87391557.88 99191270.94 138439670.5 69225885.78 66187779.24 78016586.89 43419939.53 68621704.6 59958775.13 106216628 90388510.2 54930906.18 111712120.2 155082953.8 150289182.9 167944389.1 72949369.5 166173969.7 78794330.72 103207292.4 44361693.58 150543352.1 159133760.2 76704956.78 178027430.8 86951574.49 106622857.3 131552261.6 82934625.86 160808040.7 145342565.4 107318606 277380659 74524663.02 60840757.37 119413214.1 91128500.38 105648848.8 111023057.3 103784595.9 101637067.9 83875437.16 67143089.52 101554334.2 68775435.79 146920755 109144919.6 96087027.54 131995082.6 109174464.7 171083091.6 145333614.9 84060714.95 129052273.6 170572270.7 177720373.1 189437099.9 117914027.4 82526529.44 125506111.8 81989782.01 94364595.7 33029057.41 13623464.8 20350028.27
Oxibendazole 58119.25989 28487.68564 194720.0308 485051.5255 218478.4539 69329.97184 78231.01247 167285.9537 189880.1689 309086.8427 200060.2315 407450.5215 164621.4283 824875.7449 58971.91029 222589.8389 1459919.974 107905.578 267377.4686 516299.7977 295200.7402 66170.75682 179696.1138 53691.40581 70604.42938 84108.03291 229448.3073 56635.72222 16877.02188 361943.2856 1338618.546 693023.4767 34702.6239 1417017.317 41435.53855 417638.8839 2596519.594 559613.0221 1288134.694 286929.8228 729288.8936 290516.945 231958.124 124979.5911 122541.4536 106648.4283 470211.3526 109903.9165 76060.67994 204967.1227 25887.26968 86871.94446 621099.8103 377761.4417 97398.28354 180572.1963 31892.11597 536486.4096 22355.42758 852668.1882 1809265.346 95305.28765 226402.7686 1173898.071 625088.2755 464799.2322 305963.3513 913595.6254 1063454.927 71984.48649 674961.0002 2144584.819 610976.3207 188601.3191 22926.11884 119111.5729 47288.52489 1606410.83 548015.6415 120293.9688 29298.11287 13165.46195
Oxomemazine 119005.3779 661343.8782 709188.0201 164736.4656 95065.50716 475749.322 27951.34888 453937.0474 232494.3027 12305.36461 81950.27983 5852.731158 166593.5613 932298.5962 124749.0153 1160025.811 242937.1468 407031.5641 826474.0502 1441230.721 90124.33714 311760.5102 233917.92 357811.6632 155490.9013 390739.3103 391054.2741 531513.684 97564.44919 8978.120453 116437.3983 152755.6722 205588.8479 545435.7545 76061.98418 76948.96139 39548.94657 199263.6841 814182.8808 188019.5433 362685.2105 212284.2784 22827.80438 111686.8364 34463.10547 282666.1372 102737.0703 36240.95181 29113.77229 59103.80905 31665.64182 76738.93426 287874.7113 266354.8693 115211.0964 132474.303 202348.0419 22574.39925 214747.5054 17629.41766 376930.1889 68652.2676 175667.7668 161807.044 595613.5139 315229.5164 110877.5822 778175.7862 432193.0544 187972.5795 272087.4 2195529.853 10577.17132 31312.71306 1001783.565 57025.28331 11501.89434 50657.66412 376810.3827 5717.017451 4895.903196 4321.012428
PALGLY 37424.2057 16629.82003 35098.26616 9624.19122 46596.67033 98026.45247 6445.990569 1997.830351 35300.11221 368636.9822 12833.63441 3862.772915 1138.240847 58826.60684 3560.715987 807.6561795 1173.114792 977.4019844 40604.00723 35769.51791 18990.03059 55062.487 3330.533766 1067.207727 6079.581106 34888.73707 3382.045878 37005.97699 109604.5031 10561.50916 115519.9529 31074.29967 5482.652304 5103.865888 5671.353351 1724.429486 7441.928467 34680.34783 2222.510078 3655.661962 1624.162699 6087.164006 7119.186009 5019.11189 4529.020877 2047.127472 4274.989592 6349.752994 2160.620712 6079.20466 3537.07957 10587.20351 19117.27241 15722.73559 2296.924258 5826.739311 21968.32628 4048.647109 26463.13415 47568.00384 9446.595666 4656.538671 8748.987818 168736.6343 11802.71693 11811.29249 14371.20405 6226.654933 1919.137636 27634.7872 29555.5341 57031.72215 1041.816397 5518.93438 10541.47303 8922.73745 11129.98683 4720.386553 14892.55631 4509.613718 2033.33917 508.6544462
Palmitoyl Serinol 11309956.85 4826748.889 1962168.794 18489017.42 2564858.227 7398482.097 21309573.43 43111658.32 13042041.35 17412545.35 40285082.06 6533664.493 46438500.76 7013016.734 11509311.96 4659295.366 18029330.77 13299140.66 47961326.94 10780557.43 9190547.628 9540844.328 7545553.559 5766653.466 13201308.89 27480218.15 9239326.378 39507472.24 6980715.704 10467729.21 13822513.31 8803474.762 21519805.48 52834520.74 6867585.749 18003778.48 6480374.907 10736543.68 12929386.74 27043577.53 40774559.89 64100997.63 74187346.72 10644956.29 60804937.43 12665582.8 43067579.59 18498676.78 74085769.01 8927067.513 62076395.26 6369699.65 43921889.01 4558887.793 20843338.05 24435767.65 5258554.965 20123805.56 6410897.436 11816390.38 10949461.68 7143446.898 16636827.44 13659930.65 5053632.893 5090180.295 19886213.81 20623462.79 27115436.91 14361601.92 16843527.53 17356738.51 18685151.05 27855283.85 30155242.15 27626598.5 22867498.66 28757701.76 10489718.32 1525331.364 1463909.135 1737955.531
Panobinostat 1148532.14 1304288.212 5080027.62 1460663.441 562463.6393 3357117.844 673593.5832 470282.0548 1138851.599 753853.0771 1675442.52 4457740.573 676591.9841 982219.0532 3427279.996 1416274.762 2529298.805 3481039.12 3450483.083 13880031.51 458251.3122 6706151.678 14070644.44 3377357.927 1728581.959 5248970.965 5527739.741 2436919.595 1311003.625 722404.5138 3333068.313 3685085.879 2036028.052 2813625.729 280147.9633 3557831.788 4703423.314 4409556.312 9979739.509 3639861.516 1562758.864 1165482.813 768266.5582 429577.0668 710187.4533 538247.7866 862496.6557 540038.5781 824610.4475 706183.2296 1984321.859 8931630.374 34979887.79 3145687.535 2466744.492 3794677.454 1472470.037 3094208.857 1035040.666 525059.5234 6709866.008 6706676.524 5126668.943 2926162.697 10800820.9 4687744.058 3656958.812 2779380.269 5810938.694 4427243.072 5576858.586 7301950.327 3589980.719 4566184.081 4455322.243 3272145.316 1443565.875 2525410.612 771921.4235 321469.573 262828.1699 175279.9991
Pantothenicacid(VitaminB5) 2851466.313 1944485.248 1056849.178 3997414.314 4889622.215 2543743.615 3336742.713 3639647.925 17041552.33 1100258.681 1523834.458 2128793.767 2999223.108 3124088.916 2227334.534 2900512.946 4180620.037 1507857.667 2141270.886 471129.317 1746547.955 573446.0708 997307.7733 1610561.835 1459490.622 3378496.412 2444228.439 2188746.021 1488495.236 1908454.14 1221563.66 513774.4741 3036588.809 2686725.691 1569473.37 3098919.611 3288624.158 1412535.409 3528518.516 3813749.135 4383819.286 4667763.085 3483110.9 3132601.899 2255588.697 2831055.176 1759360.792 2814343.436 3321414.624 2639968.146 2440169.774 897347.6854 1332138.858 4136992.68 3523758.826 2482935.357 4580035.046 2085040.653 1769591.812 2783390.263 1234071.503 2669752.093 3581428.52 2136915.131 3522751.093 1708785.23 2048295.955 2024248.17 3685377.265 1537407.849 3624442.29 5341990.654 8706541.615 3410701.129 6704548.584 1677072.485 3247630.055 3382705.642 3395044.958 756574.0584 206574.4841 148702.922
Paspalinine 133623.32 294374.3624 386066.3044 88516.29318 186063.769 112256.3063 2087505.835 2196027.483 1729351.426 1077414.707 1795064.215 500363.095 313879.8234 360302.1076 512764.9385 286452.8297 859085.6488 518391.7678 326810.0524 488183.2757 1126738.948 209014.2293 386860.6645 206113.9192 163170.0042 211260.2881 212704.0022 327134.4323 205392.893 239820.5251 246949.1401 114453.9214 218187.3632 141011.8063 210908.8227 460636.6139 502940.163 2772859.683 573405.7699 1226819.458 422435.6425 547366.1972 757062.5815 680414.8715 714596.6623 474348.6079 707700.974 784673.4987 676718.7087 1095722.699 401171.5502 509881.2643 260794.6304 707616.7898 1019079.731 1147081.082 557309.2608 390451.8415 277094.0146 373571.2756 760773.2766 673024.0282 737334.2198 774795.8027 1017346.338 143713.0893 947168.7846 285243.9632 326349.7224 603987.158 459989.796 895516.9913 506024.3065 232113.559 406274.8043 1242469.983 1145500.644 813224.8423 690395.6945 4275.631319 57964.12763 61084.54421
PEG-4 146313706.7 176921746.1 233200642.1 221894064.3 104542586.4 184453318.6 364457073.2 230728744.6 192895041.3 213481252.2 214125295.9 216134088.1 1086913956 444019338.4 506386260.6 438430400 590340501.9 540019105.2 495819150.7 235636150.2 297903746.2 187223828.4 186927568 182686732.9 118032331.8 207524676.4 441611194.5 200829580.9 117386759.7 184324951.6 230294706.5 900109808.6 144082740.5 420710224.2 261369426.8 183415348.8 186330428.1 139643269.8 173780751.7 315724550.2 361339924.2 235860686.1 377841375.4 468866960.3 704876140.2 332518209.9 189295344.4 263002503.5 444114460.9 236908840.2 267643539.4 185547948.8 217440166.1 165506331.9 185987894 170243633.8 261027046.6 196277143.4 317458074.8 349886077.1 221023148.4 162641433.4 167128714.5 153517671 149059574.6 236848333.2 143108134.5 122477684 190631810.9 109016019.4 205605717.1 220605951.5 78023281.83 117614248.3 135929994 107626445.6 80260274.51 184571186 334525618.8 103745840.8 28922845.82 33434180.45
Pent-1-ene 410277900 187520627.3 429965162.1 253590397.4 426888137.4 220045556.9 43867157.75 66488976.73 135300163.5 75826845.57 133379036.4 40578093.81 104982649.5 37474548.12 48651208.1 38805982.41 65898426.85 80119523.04 104617789.3 58501289.12 63379692.77 107802025.7 150499933.5 211498387.2 142435258 125958909 139648196.1 114104692.4 229944208.8 190872538.2 272389787.3 231677092.2 199481413.8 154117954.9 104135294.9 70466612.69 116532437 72620038.68 160819027.7 110344614.4 49419491.76 76519399.67 77051019.68 59191941.27 75567045.86 47153088.57 94597901.28 59592154.86 41895198.5 32674898.04 67227659.48 54911693.39 43687425.67 63965350.59 91737047.85 55046147.45 87412937.6 152562010.5 67886206.99 116168318.9 103727806 62518944.13 89689754.66 321293874.2 125974631.8 163764863.3 129997521.6 212768860.2 165229611.9 214491501.3 401528410.9 179660322.1 145827574.2 504494159.3 222353587.7 255784434.1 191433112.5 125912342.7 122267049.3 25190353.34 36680880.31 26986421.66
Pentahomoserine 211087.7068 144948.7992 221916.8958 228941.328 345028.4692 263245.0972 90526.64387 461478.159 46423.26226 412991.8031 119872.0818 34261.78381 51080.05092 49361.58437 72436.29769 48114.23208 284726.3503 90975.39637 1086902.499 131027.3623 107901.6331 137982.6754 45249.55348 44305.35746 132089.6728 62076.43715 19445.18288 238029.1931 682531.8504 134743.8514 1380329.139 112863.0479 223074.9188 75946.32082 41637.38979 142044.2845 749493.9909 83378.15217 586586.2356 149478.7962 59850.38819 71780.54446 79407.74557 75752.79779 47769.44816 50440.0487 201265.6128 73362.07682 116872.7523 74375.5535 95992.42029 125676.0752 46695.32138 236950.7129 76545.39265 112131.9723 109446.2111 70288.69879 116894.7284 1019505.011 84746.99088 99198.08039 91193.35857 447461.0327 1787556.117 60921.64834 139510.4265 169826.7608 74571.64194 727425.8804 531221.9189 467964.9923 184504.9726 188496.2212 109704.8908 1060965.9 156658.7974 107344.0742 103620.498 45581.36834 30550.15963 14718.95893
Petromyzonol24-sulfate 13588.15368 221850.6632 15762.18719 132113.3022 44993.65047 33952.16684 17751.68642 67872.84945 59470.49902 106891.6966 124203.9007 17206.98809 51380.96472 34876.95596 341378.1914 39927.8943 586887.795 125034.5418 46115.58384 50478.90266 340500.8614 34603.01899 19748.64306 83888.88083 59315.85634 266089.1295 17978.47163 18723.47546 160767.326 24091.45905 219456.765 40279.20417 87525.7971 332110.224 168726.6913 360376.3138 53214.08383 243697.5602 176828.8277 115465.1194 105509.0672 93115.07042 82106.61378 160023.0508 135134.9168 52310.47196 15069.03637 55124.29996 76354.16707 39361.22819 62131.50131 24476.34703 10869.34621 7445.394674 52924.32729 10006.14282 794867.7417 53215.58326 15196.28643 10869.19813 274605.3962 142060.9762 16050.00516 335572.6915 82264.74579 117431.8751 69516.58518 47485.7209 1429550.874 422545.2858 406200.251 628196.9452 158494.7022 68385.99246 31400.72694 140485.5549 21376.61884 1182600.052 240659.0401 17024.47699 1972.016585 2237.179051
PF-04965842 22944351.52 40941102.12 27000134.13 40963738.02 42654343.17 44665263.93 38879288.83 43620868.61 12658970.2 32559158.47 33246616.41 16992881.24 30351391.67 103209046.3 80993447.33 150380130.9 48057723.8 41845904.9 43555485.1 17536298.48 39354196.32 79063088.26 100083345.1 78079263.26 74830359.76 111617784.2 71944643.81 89158441.33 66182272.63 65452485.87 36938208.86 30988107.05 19491916.81 104870134.5 155996663.3 58531806.28 66793015.91 31876154.66 17970113.81 34141413.63 67800216.54 53682835.48 108296399.5 130284923.5 128767160.3 174322784.2 80494199.92 85893781.3 96345098.23 40364981.63 49699331.98 38652124.68 24039196.43 9170722.445 68722320.75 26311842.2 56525671.31 23293445.2 82760184.4 70125968.45 20528762.89 17065290.03 4617347.048 29692110.22 15641379.91 50028580.92 7549910.9 7820070.078 18983597.63 8855743.736 15699575.87 18991778.39 11571703.67 6414335.695 19446076.52 25257596.63 8934572.545 23956311.44 30470851.15 12829209.72 13228126.97 7445884.797
Phenelzine 3733173.963 3988076.074 4069949.786 4214827.898 3652701.776 4168192.226 6195559.046 4420160.134 3348837.528 2616393.769 1770487.136 859016.6784 2369033.095 1478719.683 4464963.37 829199.681 1161983.94 1510744.529 3274650.172 1536657.886 1940254.424 6006720.599 2563084.412 5554540 5650035.791 2237101.742 3036438.477 2586908.978 1560593.847 4801616.377 2582196.546 3022731.273 2545485.51 6336671.451 5310152.795 3033192.462 3187798.205 4041176.132 1312261.384 5218696.863 3299875.551 8027906.646 5327459.414 7477172.689 10038126.59 1858987.549 4398988.178 4051086.295 1303541.083 7354734.521 3178762.091 7708700.103 2719414.052 2348647.554 2874038.89 1511251.266 3567584.516 2229058.778 3569825.377 6413700.187 4745773.484 2844345.996 4449858.77 7083900.931 1549231.502 1584343.058 3183427.24 2028931.732 2246700.828 6053190.856 3640376.389 4319924.514 1641857.343 3265924.173 3899891.162 3540903.275 2264742.779 1612574.842 2339413.098 360007.4056 931024.7545 254605.8239
Phenethylamine 93238.90137 1892468.669 59903.1974 406950.1005 223823.6005 1246970.894 2810622.251 2563111.646 15645714.12 2465456.735 2529539.841 2257202.281 2961480.005 1982865.948 3217002.135 1894026.548 2316182.777 1821107.087 2847527.502 175069.8997 3580172.259 2313662.927 891052.5852 2342735.245 1867370.225 2007625.438 1835041.251 2670396.769 6920263.724 190608.1345 130380.0506 1496661.313 165121.861 2118016.812 7194630.693 21872805.87 2183565.194 3350466.855 158254.8594 20912192.67 1656843.248 1831374.49 1788723.643 1648340.396 1668300.927 1601771.296 1856770.251 1945986.255 2014425.898 1902846.448 2048640.285 2877176.283 10849918.41 2630023.036 1766499.346 17768059.1 2869924.146 1887892.422 3480119.201 2706547.019 2103273.821 2946703.609 17558654.99 255588.2966 2694114.918 2083218.98 3558181.367 157907.0581 104668.2743 389520.0321 272100.4233 773420.499 2652083.305 119162.6396 1740531.679 144091.8438 694465.494 2426010.319 2916694.252 8112.069345 1288607.038 93203.56297
Phenmetrazine 5914263.308 8722731.734 2528555.429 5381622.714 6455109.734 14453692.73 11051333.71 20105135.2 10323000.29 9311896.577 15421377.33 6062393.246 10100538.99 6390254.437 26646999.83 7166482.107 7249873.336 6732864.99 7834241.722 8127859.497 10139347.19 6837035.602 5139373.004 28247002.89 7160551.195 5871037.202 6431243.006 10830807.14 7160466.067 13484041.51 5559969.029 7571802.244 6184867.856 6055184.07 10784338.46 13348695.54 11744991.68 4709840.78 5253237.578 8425632.865 6635587.966 7900180.328 26943168.23 19803763.26 22313946.94 14502058.85 14392323.73 9443321.429 9053884.843 33618922.09 6678316.541 33264216.55 4225426.291 22366223.51 8973495.084 11001248.21 8661089.951 13069328.54 7327484.557 9794691.14 8190379.354 9328619.774 7147904.047 5454898.715 6713559.979 5680772.373 43671538.18 5078841.512 12823060.1 23279731.69 17852914.64 5886007.205 13152332.19 5277807.001 3977659.259 3866331.534 3172243.868 4461627.315 3828953.806 599519.0632 772689.166 810504.2112
Phentermine 2411772.443 267457.1946 1329406.321 1967859.662 270481.6532 589649.2621 233155.9785 301418.1755 76238.65545 822338.2443 502235.8478 36334.74094 132093.1145 190251.8669 463970.3354 51871.85631 120446.6928 58447.32037 59256.86079 291653.8859 47642.22708 123828.8581 436745.7418 109901.5991 360979.8743 175051.9885 104187.2452 895964.3623 733165.9672 1117852.399 978020.9314 299147.0141 152855.0218 4166501.451 862722.0135 233979.3689 316936.1807 334766.5625 1009759.409 419158.8818 165527.8951 125019.6625 175583.0007 248925.1017 150195.1792 100251.8584 299669.3562 442620.5169 225481.5947 49580.19088 180829.0237 49396.75634 111280.731 107930.4039 276249.156 36329.92736 458698.5308 83554.94462 408442.1711 160787.705 53511.69477 288215.5485 760740.9163 226947.4658 287337.8285 565180.525 827852.7876 522641.1376 2187691.625 135375.9525 1077819.316 329027.816 319010.7266 854043.0105 79232.37154 789436.2022 711024.0119 210216.4331 224527.6672 84888.05217 92526.09941 358940.3607
Pifithrin-? 21130.15026 60036.30435 205812.0647 24847.45451 271573.8351 120049.5321 32376.03114 33589.34777 237008.3072 321697.792 195233.756 243624.7286 234539.5717 154088.5994 601605.0823 298609.3847 233475.647 874705.502 53900.61089 605158.5408 2599066.578 262684.2217 17338.24548 188888.9344 58867.1525 49820.8969 211317.9407 151202.1343 199209.2661 232938.0824 77420.34474 214428.6657 201462.8162 2190273.087 31223.55737 420896.1966 592204.6125 119900.271 477197.4077 215245.8753 497886.8581 1241626.704 205507.3653 180299.9118 562857.5838 652915.6679 410184.2508 273356.8127 181765.8947 120316.7722 389571.0494 1212372.212 205656.0465 13195.32775 410161.4661 23788.2435 194641.6021 69404.86271 1176179.2 146688.8797 151731.4705 418075.0255 694602.0768 872080.5517 51264.67879 709006.6527 134588.8049 216088.4285 109856.642 648943.9279 339009.2349 560508.9713 248535.0512 24422.50138 1575691.298 24617.66686 71875.29548 67030.52136 62871.93642 5789.568527 1136.870556 1637.197375
Pinidine 6203925.671 8808791.642 3396868.775 8119670.879 7246789.359 6363775.917 17538368.76 5262800.95 8022805.823 3764222.242 4170309.445 3134057.402 3474126.543 2421607.717 5030447.064 2958678.998 5789861.884 5454877.646 7414950.827 4107451.446 5760253.917 4112570.118 3454114.699 4636554.416 3364748.222 3759839.031 5578823.261 7579752.156 6546407.493 4189672.577 10028514.21 5301690.61 5385333.578 3872302.758 6607013.799 3029713.568 7964777.409 2672782.537 4271665.293 5343965.733 3220215.957 2808262.69 3416013.716 2784533.404 2542784.772 3564964.849 2970882.937 2785560.364 4115764.356 5073619.694 3534223.572 3931570.463 3696731.232 6065857.054 3444962.478 2871621.586 6453632.785 18985656.32 24158788.59 33494113.78 6954353.57 4590481.539 4146144.467 5785072.957 6436113.349 3124193.376 5408227.759 4387930.262 4767690.996 7351284.222 5208348.569 4482049.871 5381672.527 5425639.319 5402279.047 4966124.407 4377902.982 3289684.098 4208980.575 1479951.921 1325821.139 498038.9093
Piperazine 420975603.2 253596710.1 132433773.3 171718821.9 220752784 155580702 841500783.4 975575437.6 874033459.2 728516337.4 623687652.8 529342010.3 938873714.3 530480221.5 1275659007 1088987892 731774694.4 941027467 1217322726 87599881.04 717786292.6 697450716.8 848227458.2 747470555.1 891252915.7 654117441.3 1118554268 702114311.8 497368386.9 317691846.6 232252402.2 303324017.2 319982933.1 433827467.2 629961911.6 446408325.5 671273418.4 563901277.1 113618224.1 1098709758 748533922.8 1480488651 1108746095 1224294156 1021304425 888507577.8 1867439824 1028916947 1183690205 711110310.7 700506190.3 617043926.4 620675051.2 178883579.1 1353185637 458044239.3 497242298.2 410107858.9 608733720.1 440619017.8 149897017.2 642592631.9 197409836.6 116612797.9 263299972.5 637878478.4 240652406.6 63088778.54 129664464.3 127889658.5 188962799 180582622.1 574155241.3 122046115.4 588645259.2 230313798.1 363727104.9 502627956.4 1399374823 128004455.3 33892648.2 10269523.85
Piperidine 3768670293 4060266534 6627146940 6330905175 5867982306 4560083245 1497792865 2505409113 3293883042 2579882262 3623568445 2470041676 900332452.3 1138953447 2399989793 1174287248 2807898742 2093926097 2825705858 3616478917 1940311156 3859574705 3553213090 4868064920 3176659171 3139202368 1926061648 2235035956 4278773213 4691597812 4079356294 3171269541 3887384724 2678161676 2363361691 2716059572 2909511670 2544508341 3880403700 2684564466 2271127955 2170719310 1630695200 1905919812 2346438264 1670243848 1947279061 2196014230 2343497790 1712625321 1814924072 2546395256 2393499685 3099465892 3277036722 2376298415 2198412844 3257711776 1555546693 2485262199 2700740702 3268824955 4986628673 5668389979 3652918571 3656345010 3505861873 3692898947 3978424680 4562319240 4279609551 3015323649 3681184264 3441339302 4685493299 5046864715 3020545638 4111047485 3477570385 284585631.3 776409650.3 452223352.5
PM-Toxin A 16919.81937 137940.192 32935.40399 10830.97672 28078.76789 456617.721 215417.7144 355478.4612 19369.27607 24576.04782 7291.085397 4270804.596 205582.8332 89212.07527 140248.1277 192052.4123 357036.0633 687016.7669 96266.71886 6833.145909 161869.6436 40858.80481 586329.1889 176985.0327 204548.3247 112503.9648 22819.47094 182500.196 106838.1737 63196.44795 23968.44668 1025917.75 448100.4099 599710.1253 79413.69197 688134.6488 21031.89417 19203.73912 263317.4463 234356.4685 173525.4179 84138.44436 402140.6327 256958.391 299974.7156 186311.1357 81127.32801 144907.7128 232426.9244 221237.313 114565.6375 267953.5407 488224.2625 27081.01513 78732.60319 20682.95076 17790.93669 469803.9824 96088.25992 398468.8866 220464.4806 167298.5889 133489.1372 36196.69183 510905.6293 215778.5283 459346.7459 29005.14415 187324.5128 23718.70304 163612.8913 33087.26671 27197.0497 219088.2341 187499.63 180255.0946 914724.4825 201955.4629 36742.45041 14209.17679 5184.86919 8857.96822
Pregabalin 11661688 16540962.09 20705969.1 13328336.66 17166440.81 20606649 23561298.67 19586400.1 11028175.82 19302214.78 20526796.39 43240325.07 19017160.08 23861847.82 61501275.31 8387368.184 14726536.78 8813543.91 5887237.358 21841783.62 13570407.05 29822865.24 14012047.32 17454326.45 12995954.73 13631280.3 14920874.51 26422088.3 20279605.63 19753264.47 12263246.56 15247024.72 16176167.98 10354765.29 18783575.21 7936978.461 20506195.59 23729424.03 11908577.04 6545359.932 11380021.7 24098483.28 24751055.86 35595293.07 19281604.56 28808661.68 28569103.81 33338079.13 34456146.34 14503698.67 15904885.75 20421112.74 11253589.18 16103928.83 18631838 15534605.25 20034310.63 16336631.47 22151941.89 17239796.81 15459155.72 24047205.33 29060549.26 25251585.69 24815457.91 19414464.88 27403824.86 12498133.96 9755282.2 11196514.67 15574692.8 19598323.64 9195397.012 12149683.13 17660015.09 34588864.82 16711863.83 19310037.95 22080724.36 1276108.234 6417281.553 3113512.706
prolintane 495817.543 503175.3854 1107611.805 633052.0193 650157.6173 2598136.603 312834.9794 100492.3329 206479.4724 101411.1161 942492.8906 144388.3367 95108.31795 31333.82997 209189.4713 190965.7697 149989.5905 103479.8167 54160.59726 574289.8957 68569.3673 453012.8845 837510.3347 480441.523 76336.18698 172257.9709 177688.0608 187595.8612 93099.07669 647499.2314 338555.0976 35818.53693 171188.5453 303496.4343 205811.432 202726.4184 118513.231 488645.7938 1050555.485 156031.6678 71522.52735 85233.97476 70961.72661 55977.37128 70486.66598 50008.72855 576145.8666 97226.96992 118231.835 60801.09115 67902.64378 409750.8358 492404.5401 667598.398 67501.84331 166524.8436 405995.032 711407.0978 875342.7105 151421.0459 2561483.482 254004.5008 328016.2336 108804.0679 621930.003 295136.5191 444158.5417 230397.2069 1196146.798 777815.3387 156466.1488 132835.1368 272587.6311 264063.5927 234702.5477 863130.1447 199835.3113 195782.5683 186913.2457 14407.65712 21547.48263 13027.6642
Propylhexedrine 6850385.094 5848359.572 22064768.65 5493697.853 8481091.345 6761774.621 2488344.432 4122845.451 4052081.64 2205035.449 6525328.993 1032226.558 1241659.979 2468297.539 2884903.069 1331658.537 1726779.17 3732825.824 2244948.859 4832148.499 3605524.762 9853113.543 2294603.982 3543026.848 3125386.794 3132778.391 3505705.02 3937735.597 2765227.177 1881143.375 11128174.33 7583391.527 4766230.829 3761547.355 2383727.735 5830667.976 9157138.323 3626446.862 6036599.885 2643072.925 2760616.1 1425853.766 1741953.867 1128282.218 1908582.348 1150212.579 1171780.037 1102859.602 1888780.025 949665.196 1640847.867 3629250.392 3130547.074 5801400.021 2509916.485 2363903.151 4206654.972 3025280.147 7925445.577 4877030.554 4933655.624 5561242.833 3038396.3 7389838.361 11133674.8 2284444.802 6735607.321 5050759.252 7394463.599 10537500.16 5298017.399 5003105.234 6012416.057 4511804.435 2633290.685 12148770.37 2882799.73 4531015.236 3301365.821 650735.4874 369431.3163 439932.302
Pumiliotoxin 251D 9110.67533 14035.72424 122164.5684 6104.854853 32431.03537 6713.518924 11757.57728 14621.33898 10703.55622 51891.22953 8834.744736 1524.611382 1617.200658 37521.51986 2953.937364 13450.29949 15683.77949 33101.86549 12943.00497 5705.50047 157553.7093 1821.03947 16697.12577 1997.952307 24554.54473 19800.24056 1077.465678 3251.984743 63279.22076 59677.06733 38158.74172 208222.4394 4335.908096 1942.902894 4845.067543 3307.828701 20918.61979 3839.049517 61407.81026 3016.137892 13296.34825 8367.288085 7218.736564 4500.269682 3235.409227 1259.245318 1043.359722 5940.160955 10120.40974 2743.707409 11198.73973 40270.44803 30121.8065 313351.5214 189536.0791 28126.57864 5329.05904 23354.4677 394426.4067 247492.9567 39044.09095 70968.28518 19039.5097 13058.93836 7899.967774 75586.64974 176757.7613 49886.62975 19911.03095 156110.8667 182755.3714 74213.58546 80680.58487 61112.44656 64039.66945 12278.01064 6071.911393 21873.77146 34981.53562 5559.047107 2643.385118 2618.018121
Pyridine 8029418.182 3489381.399 5949514.781 1473025.885 6993758.222 14061948.91 3440237.16 5526160.163 1099723.313 9427056.92 4210166.64 4246837.484 4610906.074 2177195.77 6070943.437 1807872.568 4453368.921 2096428.188 1660476.622 5871237.703 13086296.07 4469100.067 5056646.253 12305378.65 3105508.007 5439421.697 1601034.528 5914193.708 7721454.868 2263359.539 3826260.626 5269514.178 2842719.544 3065393.739 6474532.78 3354900.066 13904182.37 9509788.728 8136721.116 5134959.784 2927602.32 4065349.5 6441698.452 2884397.3 13275451.23 3415973.83 2162249.358 1334431.367 5792892.753 3699597.401 5319738.602 2365466.351 3473743.15 2525103.017 3956260.915 2317561.126 2997443.363 4089723.101 13220667.13 32084850.07 11379466.54 6042955.754 4560681.789 12440039.68 2600314.238 2330577.29 7536359.428 5089320.384 16057596.73 13002176.69 8990427.174 3391758.794 6727017.87 5699682.092 2001786.038 6259935.138 9509045.31 2426933.91 5975147.064 896251.3244 458389.9861 363036.811
Pyrimidine 30514375.84 52438962.8 111945428.6 36759625.56 61211807.88 60451193.24 1698443938 437051864.6 517907720.3 343296110.5 476250619.1 523848105.4 586984801.4 749869083.1 743402558.8 946693586.2 636139561.6 1210637706 673035965.8 99762590.16 735819522.3 378449847.8 930632738.5 299428520.1 1210790113 453805093.3 1443947889 484154983.6 215634738.2 49116800.6 47885836.29 50752004.85 51453953.47 1180784451 73373801.08 95343197.07 117626499.7 325286313.2 83299883.01 575764002.8 434784742.2 485204943.8 511911408.9 437077594.8 535309855.1 427742504.9 496114515.4 817918103.1 1247529634 500761302.3 515887496.1 553348912.5 2025417707 26541628.79 1055641895 421210449.2 588760905 49712138.3 611019808.2 554817690 36496449.19 355387501.9 56509549.76 42566224.3 29009411.49 243934156.6 59940427.74 41093479.14 32390685.93 38768747.12 28224562.35 45703764.23 91679420.95 16788455.95 40547540.98 42719696.56 56982917.84 69269458.87 3670833966 247766783.4 7453447.671 11593185.08
Pyrrolidine 4661608772 2517723873 3225657279 4139590599 4589642770 2587540257 1768899009 1616564899 1680389516 1512167120 2273007524 2172795684 1220058901 744231298.8 1153479394 823235636.5 2188797219 1034713245 1094810699 3784622611 1558888087 3079796873 2358683112 3105799560 2787148029 4075859999 1522044067 2921384064 4554587291 3044894009 1754879271 3305293749 2840712974 2471838487 2901080851 1686853475 2104656051 1397394578 2862937496 1958656093 2049537370 981118058.4 1648947024 1648249951 1816827852 977724937.3 1736880089 1669657986 1247207262 1525127190 1208503983 1558024258 1498192992 2249480955 1988926392 1750855433 2230099278 2000705992 1519325210 2008483741 1468028626 1659641893 2213052159 4197555982 2758010545 4688050032 2776837497 1643229001 4371978365 3900202556 3851245253 2715089915 1657096607 2211600704 2714789499 3658068258 2503498307 1280478704 2105635324 260457664.3 667493502.9 405585021.3
Quinoxaline 18564.14073 54738.1842 8336.0786 9262.383136 24057.6777 25821.74464 96359.8558 54663.12654 7321.007526 228996.3421 12648.03441 16086.50459 26588.34431 518833.3394 42761.03362 117627.3009 51349.92327 85183.18895 10373.71074 122531.8481 46271.35888 281362.1934 23097.70327 65525.55116 18387.07867 368457.4474 23095.09138 38241.28445 249900.6241 187242.3292 456995.4292 22438.20803 238778.8089 461099.3031 203146.8649 112328.6027 140231.4707 16202.36508 160593.877 70561.57321 430033.9533 288527.9388 73513.70431 138480.0135 167420.1223 108655.1769 63012.59139 87582.88758 82238.04584 59929.25149 99482.19566 32665.3267 313956.6646 251112.6239 305857.3167 7386.991982 20244.29784 46637.6958 221068.3047 10418.28339 356956.9682 46466.81209 212593.7218 52739.45294 21747.05665 82272.27122 26426.60375 87883.65677 560286.9568 538060.8416 15211.48883 78783.03209 43963.19378 458035.194 125285.051 312950.3609 63207.14817 49115.34525 29758.14777 6769.082704 1999.449561 3711.476612
RH0365500 153775.062 114859.3783 1649672.693 109215.319 835130.2054 209349.5286 83146.36956 681806.4357 1190172.295 196322.1367 2982286.034 134467.3184 824582.8827 97350.38052 184119.9312 156851.9039 110462.087 229298.1326 47208.0669 2143477.748 184290.3812 51710.53626 2575645.606 725769.9161 120181.2902 1200897.434 442941.7077 89920.4 17751.40723 2507788.125 1144354.531 154379.6273 212147.864 257054.0313 543337.5432 336376.8226 704420.3645 56103.08036 456854.5361 344378.9024 162332.54 786608.4429 290859.3173 167259.5872 173807.8788 168610.932 159432.617 403303.8174 331699.9356 249289.25 88941.27311 1521844.419 107623.2917 698505.3288 2208627.186 1623443.234 999037.4305 23820.07203 178309.49 26461.69816 196565.5872 912029.1095 274765.6305 498553.1614 332682.7864 357694.8933 4242884.985 294621.7035 878195.7386 2293903.815 279901.2698 95284.51847 3242549.14 1158492.462 78873.45997 76255.23728 1544370.608 2533489.573 1901023.987 184629.917 189929.6523 93980.58222
Rilmenidine 6072163.456 8055157.527 3643848.37 6696778.068 4152041.111 2447956.582 1019773.649 609166.4203 2168417.825 608839.8455 1464685.119 381778.3744 725515.9481 441418.7714 610137.0927 657554.7194 469566.082 1070860.294 421300.2332 654795.7647 511339.5319 1381299.795 1606357.626 1249706.218 1010049.677 1662929.489 947494.6106 2505838.206 1044088.915 1423887.528 2888767.982 890545.311 5074131.024 1294567.511 695241.6923 1267488.33 2001184.47 1249660.526 1689935.222 1133860.706 570507.9244 426423.7481 627549.6887 576410.4952 762586.872 518613.9079 511392.9267 571360.848 1229420.69 587320.0122 443921.0438 529477.4985 636851.7176 1380828.599 901707.7628 649352.2488 673935.3051 2350507.983 875315.0494 1382362.382 586889.2556 912645.7525 467538.774 1907505.752 845483.7719 948686.031 1186997.505 592348.0156 651667.468 1372322.071 2187905.275 2289419.471 3258795.605 2059487.576 2297064.704 1472116.1 1169581.401 1740714.414 1704866.352 144804.8138 352073.4556 163227.5106
sedamine 459081.8896 87536.43931 143675.873 137808.319 36259.5093 66508.59493 84667.2946 90352.3302 69940.45364 275815.9681 97587.58896 225174.7115 116917.5285 91822.49986 194859.2757 77208.82564 89622.7299 681263.819 101997.1398 52900.40008 101545.6582 45678.63171 291127.8403 77470.55283 74986.41539 12825.32468 139743.8809 91656.11268 55285.907 572253.4245 275262.1793 139048.5817 435978.8697 43322.59894 608422.0354 274428.2895 449328.969 42945.70595 99215.82229 349861.1543 144093.6071 47674.21748 41500.06631 36170.85206 113984.6837 44843.3011 141174.2864 69436.66157 75622.8236 43818.87047 128861.6319 36104.88952 92730.67367 32883.18727 69339.99306 487875.3945 188842.7685 484827.3209 151499.8463 187029.749 567052.8286 141908.8847 77731.67527 175723.508 161452.111 178202.1557 210855.9417 174277.0046 60326.43667 195678.2034 217405.9247 462998.0361 22439.10179 156166.4907 91024.49306 188590.858 511979.9297 363857.84 7944.457445 130428.8359 16799.01478 10735.71634
Selsun 10390.06712 50637.72473 6221.341235 13907.53773 14373.25614 84095.92762 69311.95764 6217.897619 28981.74742 136299.2703 9695.093943 20754.17894 241107.1068 20388.55881 59292.03754 14244.99752 19810.36292 141040.7005 161927.4616 29274.20218 13232.01404 103523.2953 146427.302 85114.95343 13253.49807 2770.596951 3975.268629 198450.2947 64073.18126 128276.8422 4736.830511 2961.626476 5664.058749 240109.2989 107496.1861 63038.14208 187921.4358 162591.2172 25957.54002 7424.356379 21325.78149 38185.6017 104223.4579 185898.901 213864.9724 131019.5731 167287.572 224168.9259 12822.54331 17382.67734 46919.11812 11444.84607 19700.65311 96991.39592 17226.57798 68429.81281 11191.06614 6045.016329 20385.7975 13793.66594 139105.0354 231772.7701 171603.8011 38033.80474 241224.2668 58627.73388 73634.39207 6212.398497 1423.062213 21458.11839 210493.3362 13774.73497 19924.04187 2402.67317 6913.66344 152909.3861 190369.3188 14801.61063 12005.27114 559.1630157 778.6442269 568.1887251
Solasodine 97553.64126 24642.80206 59825.03814 368608.2805 466140.7374 45882.86026 49839.73238 14993.6288 94278.27224 49881.7765 60656.76425 125447.3617 28159.73294 88510.30921 16031.75874 82210.61241 448302.6107 49543.91438 53705.9245 181105.1642 13983.20154 87357.47678 695248.6496 65272.67626 10441.13612 11227.39265 169974.5237 57291.05175 5824.543184 392942.7824 22967.61742 292410.5384 10837.5323 636666.4992 38420.88452 119474.5396 441112.1922 737252.7009 1153921.963 98363.04389 697218.7874 172856.5944 30217.67529 120874.2692 81381.39877 65537.33136 466271.8438 48421.62477 13764.20788 58060.68084 16102.93237 5448.067631 19461.8472 77242.18728 39273.48507 101249.2074 16638.0437 19411.71338 9468.075424 15875.46097 187196.371 5702.916708 169718.3738 213713.158 288252.605 638473.0962 88497.92801 109557.232 356104.1182 29047.85991 7205.305099 342954.4006 5180.336514 19961.50431 27609.65664 53214.55628 18760.97667 16196.62874 18475.71968 16740.12095 36973.72674 3912.378932
solenopsin 23000272.68 30913805.63 30444256.06 45584923.67 54449657.03 24848254.07 31088447.96 33374068.67 37845500.43 33384098.35 17074614.04 11235539.42 31572615.99 5865673.79 10821395.84 5675133.049 8982981.373 11889541.9 21946532.76 38592597.12 11713343.69 11997541.62 22619490.16 21519608.05 12555592.24 15215897.33 5310821.29 12867169.66 14201320.19 14378787.71 10579378.5 20807224.69 33111429.53 18891514.86 8184275.241 12785262.47 18597969.3 9152856.638 16113971.68 10125515.63 26032738.57 7593689.004 15013566.34 60465794.89 67509819.15 6751447.924 6037762.024 35170146.39 64583718.81 24353437.44 47733395.92 11542593.16 20200582.14 29153120.14 37474146.87 26825330.31 18381043.26 8124388.635 25274435.03 17931733.51 10718183.42 15967325.73 38880621.28 19008778.48 29314191.78 13527329.59 25026422.57 10565430.68 13122504.32 18992291.21 40931205.71 34512619.29 28364719.89 17423473.51 22562221.35 24822654.34 11664652.48 14842811.71 17328413.3 2162734.786 1049919.467 1015289.587
Spermine 196856.6807 439410.6123 27204.88164 126564.8152 63618.84054 652527.5611 21408917.11 2439059.655 1095668.468 4252915.66 625626.473 6444362.406 3676496.278 35752265.37 7764633.316 3752072.124 5327974.084 2937694.099 6132384.405 430213.3727 855048.7558 5665511.607 11631340.62 1469771.416 2983171.669 1592557.846 1506850.601 5510981.007 13060666.73 8724065.726 633502.0192 676166.7831 568970.2734 28350613.69 2526502.196 10966323.48 5129598.316 114609725.8 183908.7372 10681130.87 2512117.246 39582808.61 22701844.35 24570890.02 7613238.28 5435366.529 16448087.27 10912468.19 26914296.47 8521566.305 14794582.99 11978682.39 12771172.74 577855.4212 22227511.86 17922930.56 1841308.216 5795309.753 3559489.762 9080250.698 688884.9643 4329754.11 1773710.572 95334.91021 2305339.999 3031331.031 2681901.615 39647.50126 21135.7204 85411.43994 768899.9508 311414.8848 362767.0934 56707.9705 1280480.07 919036.1712 2510985.43 678387.9486 1037997.201 13973.09286 4537517.969 165378.8823
Sphinganine;2-Amion-1_3-octadecanediol 298222.0886 582687.1317 10484.32775 21242.95984 60737.21012 635482.4489 310386.3022 62384.70141 132026.2263 430021.7898 445953.4764 280918.3837 274339.4414 236347.2408 283226.7792 145383.4888 975761.7907 382160.3189 135574.2792 42888.32453 970748.5643 569851.0727 1984468.397 445385.9243 180995.676 176053.0096 137727.4088 3410990.96 2515998.615 96461.40939 28622.46002 128308.2157 37903.65576 167716.0571 370329.5386 174330.5909 73821.80073 125588.8392 52218.495 725515.0549 92397.45867 347858.614 129207.6576 164128.1544 259591.3039 198324.1163 194242.275 133565.1833 136461.614 255431.6175 118405.2399 88086.96339 329096.7396 17518.20357 536555.4958 193848.4594 421490.7071 265224.1665 194017.4892 113687.4758 307079.3026 274830.2374 197326.1738 40309.34384 66433.26637 84283.12822 197670.4593 82033.99515 115401.4958 35754.95045 129668.4222 134000.3418 84432.10444 94943.2631 244763.4279 20358.43963 45456.2726 109558.3009 140628.2126 2007.382264 37420.91843 21790.4173
spirilloxanthin 30343.67942 25994.54212 407725.0539 287209.8229 32634.45494 34480.23582 19851.76651 32683.63452 13360.52851 202667.9315 308492.4201 208477.0954 140003.0505 47038.24428 15331.04526 45171.90207 323967.1193 146791.5111 237864.7335 5395.050077 84636.17751 160552.6627 248273.3996 623776.7558 684874.5022 601803.4566 159920.2508 69098.21422 42383.34585 40623.4008 27231.44983 659695.3962 14181.92186 775155.11 146457.6676 1206158.751 96857.17197 52024.26651 57316.78723 124673.5389 17870.23723 41972.75372 28339.15659 38917.02144 79506.29567 31773.02996 15876.32083 20475.27688 34180.60977 19115.16596 69726.63964 58628.1635 70983.92971 196920.8635 19008.29833 70690.90388 8363.042013 72368.4338 35402.90014 142368.4337 274855.1538 69585.08854 11100.97905 96920.8854 9690.396544 15921.35798 113337.4514 16111.38766 27094.43832 24280.32438 51418.45875 104807.929 83942.28476 142942.845 11268.06599 14654.18489 6670.419508 15588.51689 26519.90664 15775.03687 3165.948844 7174.322559
spironolactone 2413305.985 403101.5864 307856.7156 1300781.086 807014.6164 51889.4501 72528.58517 645023.4752 201892.0146 22342.21039 304516.0153 438526.6118 20317.7727 16924.562 278631.1191 123060.9271 57362.68985 483459.2988 122228.3042 579079.8447 46288.87895 53075.22881 202143.2681 222937.3282 261099.089 528891.6259 107709.1188 129036.3041 119079.4291 104959.5091 83420.9427 126451.0911 309620.6562 220252.5362 22962.42344 313404.6766 55428.14662 743382.257 295449.1324 276424.2566 319988.315 165550.4814 123533.9233 59176.24897 46819.7881 54338.72435 100715.6028 96655.13069 70185.20338 71125.3363 53279.33852 50886.07419 337967.211 64067.99801 5671.373323 32454.7558 584466.4381 247847.2851 99240.60884 27639.4114 333909.8818 68184.06308 462026.396 816737.0037 81355.32028 445663.7964 74979.80553 11075.69616 186599.0689 1696584.608 230872.5247 2608928.796 261078.3714 403488.18 50549.82293 31667.91783 28438.41672 27651.59692 305572.6009 14698.15367 45762.01032 86143.42879
Stachydrine 2735869.526 2110583.123 636687.1273 1246455.774 2315388.62 3579669.778 10903077.59 3338952.33 1189839.965 4295757.666 1334972.363 8172544.189 6673635.427 9440970.532 4776884.047 2671678.237 1216574.806 4332257.138 3321412.627 385100.368 655304.2101 2694037.987 951461.3065 1134041.509 1864544.088 478535.3275 691305.8986 1431049.182 817654.163 2363823.936 2670559.605 1342565.599 1690804.833 2019291.14 2815245.554 1526353.625 764427.1621 9044472.422 1430532.034 1252658.621 1449032.983 10059818.91 1189235.162 8857944.836 7970984.011 1506123.451 2372698.454 9434400.488 18087782.41 5896794.211 14639898.39 2416157.251 8417735.648 2250684.059 5945411.625 10586291.14 2020684.417 2976627.584 1822402.8 3971563.288 595227.6103 5207533.476 570013.9792 771877.1558 2937347.478 845183.1056 2398816.933 1329240.523 1391560.958 3249939.326 303041.7064 1560318.538 6324816.231 295147.6114 1830310.272 2991150.686 2846534.675 2410088.158 7559225.405 647730.2938 290759.3065 150523.3469
SteroidO-sulfate 1580291.988 4080124.935 1288962.097 3440954.977 12121796.48 2926466.802 3810404.223 1848956.158 215461.9984 858890.4907 2743587.646 1320171.416 706844.7557 4357407.285 1474944.55 3319479.197 572807.1526 1481128.301 880252.4273 1078656.491 1510089.947 3235381.38 6995223.603 3025759.706 3333880.842 5881140.462 782027.9749 3934558.131 1285674.667 8208710.212 12733902.13 873906.6616 1476023.312 7931609.318 4192841.879 6567457.221 1613779.483 2609932.515 342674.4635 780902.9288 836334.7446 2868358.129 3724820.599 3453134.864 1374078.043 989008.1078 1044842.548 2062684.248 1374664.71 1640220.276 1513152.149 496634.1869 3497556.402 1627152.89 2203955.4 1444341.7 1479075.23 2064046.523 3262717.818 4799679.899 1345246.476 1149883.852 10697548.95 2486313.494 259813.8686 11324522.23 2412128.829 1579212.775 1265076.432 2065576.827 742817.6802 464578.528 1044562.968 202030.4739 657029.3493 3982018.082 1468849.303 707728.4616 664503.8073 1130553.479 549574.1278 508022.0792
Stiripentol 27725.81569 158865.2668 79558.89103 8061.597269 69781.36575 9483.677245 294565.7424 108775.0763 319201.4136 163298.6048 224354.736 799533.1969 48298.9531 33112.06216 151370.7092 34442.50471 314402.4724 69183.98828 502884.411 941613.0918 248587.6412 82077.60151 124171.5546 49980.53679 204102.7802 367209.3553 403766.9872 53583.59843 69305.51716 62176.75387 45091.60104 96334.59713 73126.01097 75857.7232 147170.1303 109579.1918 283714.6847 193926.9119 23727.83873 139854.5838 135561.5775 412761.3289 473606.3121 225402.2826 272217.7326 210214.5611 227757.4645 374552.3905 196975.4224 593722.9882 483765.9128 553133.6127 117366.3264 232061.2036 52954.30124 203886.0775 243936.6359 96044.03273 177641.6097 69761.45334 1357538.349 161400.2032 172461.0269 43819.67708 755399.3661 47403.96983 573367.2083 19101.55547 11348.80899 65003.87879 75539.82053 2147030.833 372227.0759 97392.86014 97433.353 299642.4716 195423.1828 308719.8378 472114.2272 1337.929384 34766.2902 2627.11308
Sulfate 7380.192115 176541.1054 10570.99965 10669.1029 20236.06963 28037.65522 220225.6809 94804.94842 120435.5311 241553.4523 113148.3705 821284.8157 77825.56079 133727.1655 197779.9197 174758.3599 105743.3844 698896.2883 67354.57615 60668.2662 362012.4598 495490.9141 1081536.971 163029.148 293300.0574 90015.96782 151918.0103 220689.1334 557605.4278 568640.9825 76601.88606 159375.9403 14628.33688 422466.1375 89161.50822 97660.34385 185852.663 248366.6749 29124.04465 324327.6002 100791.2673 221100.8968 126435.2338 207809.2295 219736.85 120045.4063 173794.1608 185280.1486 277159.4574 132305.2485 121750.4018 171237.1829 200136.1979 173442.3959 627091.5264 146935.7524 214550.1543 280218.3701 146188.757 186740.6526 619292.8901 188960.3332 200391.5647 14050.08101 365208.0857 266547.4661 212299.7852 9202.196204 23830.05746 30616.86723 24481.01425 585475.3882 215041.653 12328.30106 175864.936 474833.2237 137262.3081 425582.5022 99759.03776 1835.487568 11159.60617 12657.2328
Talampanel 1240713.554 1282010.567 2191868.32 1222279.308 1456433.198 3071876.884 2073803.69 1775449.556 469470.7905 2219842.819 1684358.847 2222707.813 1889378.615 330407.4662 1212188.261 4340416.455 1442739.705 3367243.85 2177428.223 531889.393 1295049.053 370306.2271 4579891.464 1887782.657 666185.3499 1374399.072 1632812.363 2746733.565 1155488.808 518912.2209 2139379.046 2981702.146 672708.5053 1275059.854 4288807.348 1791375.644 2514704.707 1377191.532 1344293.498 851249.0796 2328274.445 730530.6042 447325.6887 442181.3522 1181509.459 1355696.604 992445.7706 845803.781 777935.6025 566883.1802 1025885.471 408579.2006 1101346.048 1744317.13 459538.2497 966670.435 463702.183 350635.1572 650133.1995 424400.6034 1987762.616 303579.6416 578211.6946 2020892.374 2183611.383 1541440.626 496430.7128 8629821.446 3222635.674 1291182.066 1076556.691 5491432.774 1735654.757 3236326.412 1869078.617 494774.7845 659473.2496 1859308.55 2557448.238 23529.54958 10947.36795 12260.38693
Taurocholate 11781.00133 255968.9673 106986.5373 9675.399914 96370.23873 317935.6624 185536.5644 165260.821 51440.67644 21641.90847 29643.72109 30760.08471 254441.8429 149009.1277 217378.5833 28536.14378 77586.1682 29717.43494 130377.5315 4757.810901 15927.20287 629818.3218 1009480.358 1219190.877 65540.16538 146847.1837 329691.6732 2601589.444 501301.8085 69428.39144 16688.84851 714330.225 128842.8885 16615.8643 86871.73267 672260.9456 14644.17366 30321.65423 60782.51121 319711.5221 259421.0525 734522.5183 577709.4791 579424.1065 163174.2244 357483.4168 189503.5236 76868.29974 161076.8954 195574.1314 79770.23267 8162811.132 24516081.16 861736.7631 323327.0687 5364.381044 21795.49968 29665.50468 305843.7012 139138.2738 2351253.897 3988114.279 2883654.587 2980179.208 2453317.856 2610857.977 1934498.534 373394.4475 1277003 46458.23284 113921.056 18100.35866 13241.42406 152547.6556 108607.9669 125508.7577 180574.9186 140618.3793 121908.2964 9893.623978 10257.81057 1571.752749
Templetine 36690000.22 10326433.97 241789176.9 70103031.61 6174575.918 13476003.93 17514755.49 23908865.58 8537051.762 7929607.807 38658230.87 1739468.37 1762823.334 2798610.34 13301360.71 12096006.08 5483737.196 28005663.04 5390992.358 8635467.193 4565915.677 9864500.261 2678189.395 16225686.35 5258319.878 21077138.46 10028508.27 9461109.161 6993338.813 7914690.586 7439245.87 5197224.422 23113234 10933441.76 2008918.296 13502105.15 7009758.057 18897087.2 42617584.71 5956255.877 12014289.49 10885720.11 4557365.037 3839375.711 2823928.587 4116136.407 14810499.34 12264775.03 4308293.776 3479166.665 8124823.789 5639934.631 16752528.53 27376740.71 4995140.241 12118406.89 24813334.56 20316748.68 6505267.491 8835123.753 25864862.81 40279384.91 7815370.879 7427746.14 4708931.142 12543654.08 12581679.24 17709936.36 4116766.302 43576345.43 13683656.96 1129120.967 51591142.61 43119012.14 20798239.91 28905797.71 20023259.19 7038367.305 5749505.94 4172248.048 842361.0078 1219540.862
Terminaline 11059545.93 44595119.22 39071159.81 6610393.151 11479651.23 1898914.97 3337014.774 6824284.24 11512917.95 9855921.537 6258857.469 1211856.859 2321856.404 3108571.62 4619976.355 474886.7247 7999268.802 368757.561 381441.546 59259482.9 1986055.972 8468062.395 4590401.729 9401728.909 6167358.695 11695205.6 1857097.109 4906594.034 2744009.647 2703945.362 3312310.756 3711960.39 13581810.95 6470079.12 955146.9893 2166635.203 7578151.865 9724897.817 18740861.75 10211423.92 6166625.694 506234.4548 2408203.14 4623498.464 4643646.701 919389.1994 7364864.641 842143.9725 1109872.917 1687120.342 2125520.33 3281514.468 7894337.246 17424058.95 6311668.212 2459880.014 1492906.172 5445520.607 21281660.98 852114.0718 9226358.949 18623942.35 18390735.21 11696635.94 2102378.317 1574134.437 10318451.49 6141031.877 17508696.27 1522277.091 949327.4738 1976861.788 565433.6645 34088436.87 2133027.683 871011.5048 1179867.34 14326519.05 11311230.12 480361.968 2074414.593 308456.3867
Tetramethylurea 145637.2665 280408.1863 1555137.259 363731.8436 522135.1672 528723.8745 399676.9424 547435.8993 338082.6414 722585.9304 897526.7782 74484.58801 39035.83811 973313.2243 374438.93 250236.5044 337486.695 115535.9904 445795.3882 263598.8274 1379570.952 185618.8137 452151.947 422962.6361 656888.8791 565626.7411 392704.0603 3514516.311 616769.9302 437657.7622 1540017.639 720005.9042 1611561.521 1435169.568 736211.9588 329149.7692 323580.7121 71613.58619 367788.407 303819.532 680413.3513 406858.3784 909440.9491 499974.5867 386280.6112 897077.6837 207924.2846 1525762.499 586958.3558 445436.6011 1607690.53 431111.3016 1127990.174 1350516.618 480531.3937 232076.7735 717953.9067 484974.9774 837497.094 1234650.831 295414.498 352984.8433 733935.3099 1675806.038 666259.4772 330573.127 767979.8627 438933.5258 113218.1711 694686.1293 2480683.852 605379.5562 352046.1333 194718.4773 378492.3904 2593712.886 819092.8391 204914.4064 1101654.372 166524.5429 135647.2706 143557.2388
THREONIC ACID, L- 111952336.5 20196495.44 127808525.2 11081368.14 43374917.81 39123833.68 45735601.81 56500222.39 69318340.36 4717482.866 64371208.58 56640.61434 136040108.7 92297503.29 11772242.46 165508911.4 149227370.1 68439569.61 140787593.9 20166577.46 195511.2376 22289838 17911285.61 79625914.82 37704322.14 15771861.84 119317281.7 15094926.22 23515437.38 191646543.8 8432467.307 9243393.262 961490.3222 114633532.9 117555548.4 8849500.481 13849431.19 20642227.12 108004955.4 130962997.3 74934780.67 90763986.49 202845259.3 184335029.1 203149267.9 227457162.8 207500241.9 289660488.5 82865026.17 78699033.79 33719581.97 87236826.59 5367042.614 74437847.48 112821725.2 91977606.29 97268332.98 5598766.883 38796118.93 38360.44983 2486842.043 6233484.216 18547475.66 17153109.84 28126914.48 18662534 3467248.326 94627513.57 112896658.7 16343192.31 28090874.37 67487622.33 5238425.893 46897160.61 22453697.5 34907244.97 11610052.04 15497554.79 64547649.98 58281.20415 294525.9076 6305.000516
Thymidine 3095.864373 4119.793647 3028.412758 3933.972108 4932.967517 4389.920894 422053.0729 71258.56238 108273.1405 56496.08344 50903.84263 366540.7072 481301.6176 1617536.413 209301.116 1278716.424 344279.3884 323188.3165 280532.7066 26377.92154 147736.3575 68771.28163 660849.3245 190247.5315 75747.58911 17533.61024 53715.13491 197872.7999 96032.20621 33661.26584 38073.99273 3364.934215 6070.201077 189446.4771 71422.43869 80476.83553 102809.3916 831581.1591 7129.009419 1024570.366 72947.52583 266622.2254 227439.1497 366792.2397 526760.1508 234284.0725 811910.9854 1133757.819 703430.3805 180380.6519 566811.6107 901522.4466 246094.2139 203887.7566 255553.2264 405180.1055 85926.55281 367959.3804 201566.1411 358452.1043 228763.5433 209999.4694 151914.2755 8169.800039 432615.8094 161194.059 130068.4981 6481.102963 5555.218473 17884.21811 74374.16467 37527.87878 53933.02738 10629.05569 195694.9096 33188.7052 224839.6919 76230.61238 112673.0597 56059.78953 195003.0302 24211.18674
TO0110000 163110.7191 2186884.377 32623.07606 63097.03019 26748.75619 270105.2548 11223698.14 9572723.495 1897597.312 13542633.39 12773932.29 21210967.6 29671456.09 24143384.12 13103224.59 18009439.84 7481674.193 17495252.28 16777363.88 2889501.012 20462951.77 8305791.251 48942822.86 12772826.21 6627310.476 3767554.388 11069473.26 2499328.909 11184946.93 11637043.81 133952.5984 31961.94539 214912.8804 5831599.661 10407589.01 8947254.832 11604099.26 109922246.7 850901.8945 10718868.99 18586903.96 53248542.47 80585760.95 76976886.93 29408011.11 19987863.93 88388270.07 21049761.02 23670582.77 29695529.21 8484820.188 30590476.32 53105219.74 27218908.55 22317981.95 24443517.51 5661641.562 716968.4744 15284765.8 3547151.41 5297821.775 31522211.54 37479686.16 363314.2081 14455097.97 9916063.742 33353783.28 30954.91432 23013.01048 2314493.158 6629803.168 6128347.708 33840852.73 40242.03666 16896206.36 9565884.966 9613583.614 21065530.52 13839665.7 6109.788066 399318.8771 36628.42453
TO0127900 6527832.278 33551978.23 5783429.77 16498066.95 12208949.16 10682618.61 161161815.4 130352280.2 131764973.5 16443063.14 13693700.72 5828496.055 57726849 57512578.62 37491183.45 32491519.8 42456555.56 34829631.94 55097727.88 4724014.079 20396329.23 30642691.98 11354207.78 26916185.46 17768714.64 40615277.71 19862372.56 18090345.38 24690201.76 2390372.668 3277258.356 8838878.535 9191132.301 15329767.62 3789819.892 5500400.284 20919917.3 6864691.93 10885220.98 39983942.14 11922452.6 21337687.16 23980986.53 3734123.677 26017826.44 33970717.28 24245481.35 37457350.9 41322487.03 65641390.13 18351885.12 59367353.93 25498391.65 2439202.29 2825341.145 4002005.603 36781024.62 25706455.04 485560570.4 343252388.5 4304039.003 27453142.42 1983527.681 4383303.45 16542864.63 15434486.57 9108037.63 5441789.245 5089425.334 3528643.469 7764194.241 2846932.765 17401034.5 9539424.984 16963401.05 7771894.523 8248720.145 4487903.714 24981847.72 8847599.656 426664.8998 167894.3394
Tocainide 41679645.66 25353440.57 12141092.77 38261050.17 51951619.87 21817083.6 19323741.49 23070796.61 13004757.42 12524084.9 20889716.83 6754828.112 22684833.24 17335441.23 36507944.1 7333353.71 20655043.45 22922473.8 24841985 22216709.65 18730075.02 38179575.95 10053625.51 24259347.19 75842268.1 32686245.81 18256276.38 50024184.02 20904207.15 28851339.34 85226451.24 25535004.35 18458380.04 20409053.11 38917647.19 15854864.42 16928151.47 12635973.94 13810085.51 20170646.17 20984353.41 14857166.73 25546112.69 14247183.62 13605156.29 12909377.2 10912376.8 15619824.39 17231822.8 13122371.93 18048807.08 10111554.75 17287839.26 40470401.98 13576132.02 18899772.29 16152038.48 20046155.12 43829218.13 21134552.5 23122583.95 14873227.78 19671577.64 26158026.33 28283490.86 14920997.41 32029939.98 18175511.7 30134597.54 33331916.44 38061663 31450317.96 18404589.1 9654884.512 13038171.31 25654903.42 17499577.81 12972207.12 18752849.61 3562788.189 3012546.932 3315851.444
Tolperisone 224460.8639 215065.9397 854498.2858 200668.9599 233420.715 791015.2974 485281.1289 450803.7674 473955.7008 1416144.388 1613679.886 1793247.258 1532314.383 1542984.595 772484.1232 600117.2214 662883.7268 1134134.301 1862674.16 1879969.481 728925.2185 499812.3066 1395708.203 824935.0424 2253268.329 663946.7319 1107358.718 454763.4682 479959.7733 646068.5873 537686.8677 702022.7493 190859.2454 683028.3576 922232.343 854965.3673 1131995.388 1655330.895 1035744.572 912736.7388 149461.2185 945804.834 1543628.993 1884437.672 1368796.782 794844.9762 709505.7459 1267625.8 1317718.395 277825.8884 140579.7129 623164.514 363856.9178 210844.8418 1861431.185 665305.0351 542833.3369 439491.8544 387502.3616 221246.4769 1226973.779 688800.9111 2034842.332 392943.7818 1484696.061 587489.7276 1624375.393 211371.6287 147707.4558 935749.1094 955265.503 153895.5695 2151251.125 170337.7977 269107.7934 1022383.968 439359.3725 3538227.124 2957544.227 3374.528135 43515.11587 5349.745542
Tramadol 412751.5495 848606.2029 511011.9852 938741.4227 1154228.77 888321.2419 579529.8983 526629.2983 385521.9771 274900.2783 1262047.419 148850.3689 486151.6542 431596.8907 919481.5109 308004.3247 248233.3764 309051.5372 487249.5651 379930.3291 470951.2957 1005453.818 541906.2885 540110.4635 498458.5904 760171.0469 289857.5535 1732728.945 1200420.399 476178.57 8196959.214 446879.3087 261092.745 837434.6432 1100939.081 366444.2392 191420.9671 220837.6046 160634.2469 864787.8979 374053.7691 343514.0063 817911.4138 298234.7189 328128.2834 454386.3732 267084.3467 329507.8874 221122.007 238360.1354 919370.2938 102387.17 367204.0597 207313.2565 239414.2446 194078.4058 425834.066 452114.6261 606868.781 387002.4597 345928.2901 244062.4446 661685.4279 967069.7295 410945.7717 285744.8659 501192.2181 994706.464 610812.1743 216795.4982 674872.9776 302835.8325 233968.7433 483225.4373 506512.5712 702338.3123 530096.1579 596957.9093 529645.65 103538.7462 79335.61931 94580.03887
tranexamic acid 390050.6384 4453984.086 4949441.401 2588254.142 1656732.671 128593.2105 1388574.119 175728.6162 509781.2746 108619.0504 669327.0221 278084.2542 558158.072 876062.2871 546472.9402 1520072.766 345470.8801 881670.2462 104644.927 3713034.542 258900.055 6438604.315 293041.675 61019.21549 387069.7152 200924.9236 2278367.515 934661.7943 871218.7876 667005.6705 1435186.049 1716509.126 4449229.196 2048422.442 224621.4582 2477088.23 914311.1528 1037281.89 6843492.224 172206.9041 281539.0664 689777.8791 276538.0334 344855.1772 985505.1252 217142.1785 251763.2672 514444.7076 451481.8639 179835.6955 232157.8062 156713.4512 46252.71213 1491785.249 582245.9176 98062.41464 1007738.973 600499.4826 584667.9429 625865.5484 615501.942 1088564.59 402383.1661 565379.2542 1174217.807 1733112.607 329913.2883 1009435.365 900309.8663 1266187.425 197103.9063 269380.6017 184080.9987 626923.4678 301747.6433 1065686.216 469841.1091 2823254.716 1486801.526 228518.0468 169505.8132 148721.8498
trans-2-Dodecenoylcarnitine 672571.4695 991734.2104 763564.506 676825.9127 148569.9453 769878.2084 300722.4714 645399.1925 116044.5634 317262.6898 967847.4347 106876.9022 546134.1483 461677.1038 617992.796 177417.8992 1128800.066 449804.9002 689757.1272 691987.3983 1141241.612 70247.76966 524137.5235 273050.11 696196.1452 282540.3073 529132.558 153606.9333 1035492.135 1093927.28 466804.9421 498839.5621 2098856.404 516257.2353 725583.9501 293991.0916 1244164.055 426018.8897 1240835.492 95388.39702 460671.2417 559905.4077 591644.0032 542446.9092 651778.4624 2384055.098 625634.2352 418344.7544 1040699.001 648999.5936 196532.9867 529093.9766 540030.5741 231426.281 1243491.325 729848.8158 595851.3127 394609.9842 118266.2904 65613.69162 2981277.662 474307.3701 1074250.443 2020747.007 1649965.993 1663756.278 522142.9605 1369507.367 484004.2602 521893.1405 2970205.173 4993842.991 822122.4385 1004905.157 782558.6769 2808467.089 1360574.765 600966.4563 520638.0148 17205.48504 1978.352912 1895.483176
Tridemorph 2233275455 2399646638 3454401461 2112278184 1826950640 2188424432 876175690.7 1613205046 2002208175 1401434663 1788398248 1271676600 839735316.5 1033777217 1425761133 1073028407 1030348302 1499229652 1523872966 3779463607 806677609 1547559021 949591321 1623086157 710012165.9 1920541903 2149246101 1178922192 884067426.8 1255540209 1552027945 1887060356 2468344932 1406854629 1404941220 1852038947 1957201757 2018403475 3282820720 1190514379 1161613078 1495467612 934485804 1119415087 880133871.1 1443369715 1096699168 1302974747 998767417.9 1875928983 1332882916 793999535.6 1003629868 1939631029 1681373174 1551100434 1557927200 2106754279 1153122698 1565868795 1230317413 1774647555 2463965562 1936194865 2591127557 1343908710 1137673081 2016335129 2374762285 2410919362 2235470445 1959118990 1861460960 2645658103 2649304691 2110475814 1520284559 2135110290 2244570277 426540240.2 222866189.6 198122873.5
TRILAURYLAMINE 1611527.492 107851.4341 622057.4697 953806.7986 312188.0878 208918.2218 299885.8653 451527.6815 7750722.237 516541.7586 762836.7209 105584.7073 249178.8312 219778.4144 153035.0596 182435.7181 239733.5071 156023.6196 470157.2412 162817.305 189935.0298 174364.299 221692.0324 76128.86619 54008.85631 1102206.286 333369.2636 816881.9478 208578.911 301120.9759 266596.0672 472785.0311 267908.7383 306781.61 276950.9107 111292.4042 551366.7701 490772.0997 1076732.746 1875745.801 192382.6629 210777.3589 332069.1953 398180.0745 733007.7894 160788.6501 257131.2163 392154.6446 355613.3466 219790.4349 229459.532 113720.834 190090.3347 130167.8006 206324.368 388581.6299 1944427.532 104499.2725 514559.2692 362969.4242 266988.5367 236070.3991 135275.7979 412847.5188 295363.8636 252272.9156 273119.6404 464002.5244 123546.0372 402087.3423 1518591.95 1616305.094 918123.4367 610735.1691 2641623.779 1314601.9 941290.9316 932660.6855 980544.7119 81590.77173 18926.20574 15628.81733
Trimethylpyrazine 543197.3793 1732330.953 423877.875 70104.73987 378444.3445 2809337.705 1693433.327 1665716.294 474122.0293 473755.6135 430045.0202 1589772.131 389606.8105 669702.8285 184787.732 723137.9731 283623.1063 505488.693 1272716.721 164398.2152 210233.5662 2910336.093 271843.2516 530045.9183 250122.6724 233119.4656 1098256.995 1679178.175 386707.5966 64486.31651 797524.3929 329260.3818 2197562.791 386648.2625 216539.8783 320537.1948 452522.4136 1685970.106 3572210.48 532897.1643 1160080.689 420638.4349 97277.34879 125704.0843 801113.0956 162929.2056 101057.676 54235.17888 215485.5496 127055.9538 112621.1928 61921.30952 282267.246 1735555.281 417329.4673 664922.9774 126940.575 197856.0516 2444503.553 55234.72468 165981.4481 610859.8407 706211.1568 639262.0825 257364.2848 794355.7493 280520.9375 1099284.825 1637680.091 833332.647 1288359.917 647424.2159 1649600.783 464285.8746 1244710.514 313972.4103 240334.2363 365144.3615 311317.6458 128207.23 51191.14176 51292.89043
Tris(hydroxymethyl)aminomethane 468793.2063 1751448.753 737988.9952 1618160.494 1252562.643 2232702.036 22743456 25118319.92 23736421.17 20810229.64 9106615.118 90024329.11 82038274.63 72059356.28 13807768.49 78284787.43 10124783.94 15400083.73 24423638.37 2374357.872 17878415.25 36853465.23 9736529.575 22098890.8 11366285.81 17701895.65 6271843.668 6459060.819 12696131.94 2636251.679 4288590.155 9396051.259 2529533.153 27451170.85 1563065.761 5618328.845 3905732.003 69754932.64 1668715.755 14153504.13 10966016.76 14130652.42 29238312.47 16808605.2 34077314.88 38778467.71 17540146.51 17375684.97 38115153.37 19254696.57 22310156.46 24402828.24 36463754.87 3646164.12 64881841.52 61537210.91 20719539.37 3075260.211 12377724.4 12058626.47 4966597.439 36846657.38 1956629.81 2609357.429 6012411.867 16543379.7 4175211.94 2464660.213 2257442.922 2760338.087 1393987.854 816965.0306 1871630.546 1797429.526 2293689.598 764412.781 4000344.048 9839817.301 14085005.34 6238025.641 3428634.795 674026.1123
Tropinone 2138456.813 768978.0873 1414499.914 1059672.238 3006737.338 785532.8847 327849.9962 437589.1625 277001.6904 374941.4389 264046.2519 358833.2691 698932.718 352458.1476 1088056.886 216922.6561 322297.37 439102.7821 692039.7422 199839.6176 747212.0991 269023.9246 829507.7362 912486.9833 529552.7392 334280.7961 226602.4287 527470.8429 1082075.297 483194.4159 1613049.266 2451468.232 637753.156 1310983.711 617707.1575 246600.4315 899785.4009 901272.2804 508108.1749 196712.0614 388629.672 143044.4441 438538.8818 250439.3512 576022.8603 207850.1433 213324.9709 290007.4221 899329.097 514803.2645 489889.1335 577185.0299 336215.1229 1197564.511 581712.2786 457607.7045 340985.3048 409539.8188 897445.1468 616269.2205 1181236.483 338699.9977 1053429.562 1576990.401 697395.4693 660001.1647 376282.7713 262617.9154 832102.9221 2818726.361 1743010.314 313687.6177 525774.1317 867134.5367 463381.5213 435395.4577 815407.6557 760742.4336 398362.6116 166017.0535 71535.50733 81256.36938
Tryptoline 100122653.5 70906681.79 91101968.49 73241918.92 60727657.12 100114869.8 122186731.1 199804260.8 142572087.9 171163537 139374280.6 198453136.3 267166498.6 357849621 138686601.2 240623066.7 89176311.24 163850872.1 309177535.5 88747644.87 122339183.7 78978011.61 91535910.28 112499556.2 54813213.01 81642776.53 98072766.37 60922834.32 44675226.96 61555426.56 140242582.8 157703999.5 99211874.11 182774521.7 118311394.4 156911252.8 158005571.9 103126021.9 199421861.4 74485304.17 144951932.8 127339048.2 115445209.5 179136178.6 184323124.1 154435160.6 107861819 136997063.4 128316499.9 151118941.7 157128703 79807692.08 97014629.13 60674153.61 121769527.6 83696022.16 122429728.3 66072719.45 111511876.2 118695714.2 229937603.9 62529278.87 184101617.6 108332429 121811399.3 121489689.1 83312866.69 294060520.1 206826065.3 196571135.2 154612785.9 222985767.1 85456831.13 161255866.9 106999306.9 93639634.35 95588652.39 123618797.6 133536869 9615011.941 905842.7409 555330.3597
tuaminoheptane 32758685.47 16926921.76 30055968.83 33006864.11 35208250.5 26484545.12 12172920.59 15217755.69 18368957.77 12422160.5 18030532.46 16958627.73 7694586.207 7408813.325 13972759.34 7706185.097 11220266.87 8017794.124 12456318.71 23406348.19 10088329.72 33318705.88 14895023.89 15979692.89 18186681.73 19853907.82 15236046.41 25385190.5 22625875.91 25946582.55 32823097.53 31151386.19 39368737.13 31312550.58 27170977.75 17021673.2 28275627.27 12380381.88 28199990.34 19030847.33 14935798.49 9330839.47 10975238.34 6812048.028 7059681.901 7605891.616 7804921.092 7060533.088 10260528.05 6657030.755 6374931.515 9382309.452 13008056.58 25270763.5 7729118.132 10578461.82 16821034.46 13937112.07 18913085.19 16096167.23 16289179.32 11857925.49 16321425.88 36421083.46 33680106.4 23324375.56 20013806.8 14490623.92 30668762.9 27310837.35 29841657.96 26630706.04 25741817.72 27665622.52 27038017.67 28599589.82 24214495.85 12546553.9 11688906.57 4933598.331 2675136.747 2745785.007
TX1575000 1188344.992 363785.088 288314.5047 1199422.397 2153398.486 746716.4077 661886.9633 504243.6717 437919.8224 752069.3249 914467.3175 82492.15011 219726.904 386493.452 716888.5794 256898.6826 350778.7261 136014.0038 504168.0849 173700.0704 872368.0616 1028066.701 599451.7601 901076.3976 723293.0018 1184768.221 502168.7166 735501.5438 1402692.175 1243533.125 1239864.584 2283292.725 1332946.049 2361294.31 1551891.525 990346.1225 532122.4459 260596.1078 720399.6361 652072.5369 338254.0285 305555.1286 481427.815 424062.6038 1048532.162 228492.2933 431821.5317 314194.0848 540832.9239 375853.4773 500413.7339 526484.6546 250342.3919 236608.6317 152209.8361 289656.2892 603715.0178 472824.8781 494955.196 649662.9431 446243.3005 492685.1643 627930.8544 1054224.368 946347.6935 786179.0505 1267112.882 434114.4042 1556084.481 798043.1771 1286241.243 166543.8874 308887.7523 754304.6967 599484.092 689304.3844 662109.2102 412115.5954 598484.3133 87953.6883 64224.96881 115530.2351
undecenal 294913.3838 844515.3575 335919.7405 57527.46577 1382961.293 4796730.832 1519236.373 256926.2858 346159.7835 982068.0612 400873.6331 5746866.416 346978.686 1467285.645 358009.344 812890.919 140193.011 729717.1456 51303.38518 616539.1921 315091.0397 644570.9627 124544.8222 1184580.119 334427.2952 291499.8082 559131.3071 544634.8777 813558.1113 615526.8885 1893601.603 714709.4228 3563291.132 2482621.261 847513.4245 487937.1312 824425.6784 456648.0301 5128162.15 1043018.034 2148958.881 437987.0762 113708.1074 321493.0378 627369.5328 422438.796 371567.3925 273623.3888 287532.3831 110824.1586 326819.6082 226592.2174 910166.6879 209432.7929 773213.3114 209791.451 56408.4972 207337.5458 108567.2154 61742.49002 276343.8517 307956.9867 1682386.578 289456.7139 1862514.763 1401680.998 740168.7339 1246417.881 1537545.868 2369838.827 1189183.836 1166171.757 2479713.916 2222547.429 2449404.637 888096.6432 328594.743 655608.4614 274444.09 29995.10418 137937.7992 74959.24421
UNII:6S7S02945H 10399312.77 11135416.07 12779322.94 9719007.616 13254580.55 10901537.17 21237745.14 14101737.86 17878757.12 10666000.21 14785296.94 9628021.341 20441272.7 12165932.67 20907428.34 13259398.47 7678051.691 15252778.27 15118414.83 17328670.48 19026978.43 10618738.84 7361278.51 5239512.769 4733074.179 6929173.691 4939545.986 6052465.485 4894446.256 9269768.166 17195951.7 9516836.101 9147769.389 16773003.65 17276107.76 15045682.02 13889590.59 10170552.42 14847125.36 12238032.08 10120824.6 12173103.37 15839984.71 21545187.69 6840191.429 10689872.2 7013598.14 8752806.187 24378473.19 27984264.6 21859196.22 14407832.96 13481235.51 34958030.44 13705049.25 17330026.42 18927481.57 12051919.1 29657880.45 17700758.44 19600806.6 16055372.3 19811126.42 8997366.731 38656462.61 10765823.12 25794614.3 19651149.44 38159190.85 29489956.63 29486968.23 24774226.7 22553057.75 24528002.89 15441935.49 38944345.42 17670783.55 12752692.15 16340289.41 4087253.495 866799.0514 703263.9737
UQ3675000 9150898.763 5231591.206 5816750.713 1504168.838 1604100.788 4883518.733 97086764.97 554574490.7 76119997.87 74700736.1 71540726.04 1522876021 80595921.52 237228987 103615638.2 203011157.8 86349135.89 62133377.07 89394256.63 4214397.96 104750496.3 70258498.62 74212331.37 40519367.69 71498785.94 84360020.9 62537411.54 621165582.7 69985057.09 1870956.419 708293.299 6267945.52 9033294.636 79289496.3 10851057.11 63193229.42 102204530.8 45915991.11 1790070.862 907018782.4 55360677.44 67884113.67 67519572.59 62875313.3 476279148.4 55709974.95 66511347.83 156391450.4 64037536.74 69740410.48 73708932.27 88421883.88 55499565.66 8408288.206 75978776.75 63059831.6 785331370.4 40220547.22 77393165.07 72183797.56 6952413.103 50421123.61 578269.0201 9423561.663 3368336.289 133361798.4 44349112.37 3039267.592 9743893.02 4024449.395 563012.8302 438597.6972 5872845.155 8372668.082 12993944.61 244217.7817 7584405.328 19114693.67 106528048.8 33824247.53 1668177.414 401129.677
US4056000 129062653.7 32903704.23 5748482.042 53498204.15 17921174 74433549.15 9685722.281 10099859.23 8043661.996 6130633.519 15076152.43 20596877.16 5094067.703 6773376.759 13351139.91 7274198.773 19998018.9 12477332.63 8934715.381 31179129.26 3174871.527 49197878.3 12878252.45 33928485 15577719.41 44191440.88 24203884.42 17705118.87 14996395.07 13475996.5 47598373.86 51939180.05 57796074 10982409.53 10143293.88 15242544.24 7782081.471 15148508.8 58510941.92 11526263.99 11465339.62 4783449.72 3129110.467 5388005.91 4258382.348 6189373.929 5966866.423 10920429.03 7245940.479 4034437.233 5057541.645 6208235.796 5934986.165 15479460.39 5686794.3 3768792.113 7755154.289 8558440.947 13360277.12 669701.2109 3915635.511 5932285.802 12560805.3 35940293.06 29073669.6 27127929.49 8720479.704 12858523.21 13042522.38 31650671.75 7119658.6 6010848.572 8133675.834 18503998.43 19016259.45 24044998.31 3340397.622 10259589.88 4014528.069 1141023.492 3132565.556 5579554.497
UX9465930 4114669.004 115412639.1 8993709.731 12372075.95 6880207.949 45351332.63 35007913.46 19389036.96 25601420.38 18003583.73 20855258.19 4730928.367 10618955.54 2174824.804 28255413.31 12508403.66 134711012.1 16282644.79 15592949.37 41251222.02 6548896.894 18290564.21 25361370.86 105150486.4 8669402.328 27015447.36 22670881.99 30653988.44 18791007.7 5363187.899 15371372.2 24852839.85 37694237.76 21870028.94 30528658.13 25087445.83 56176841.73 11467727.49 23475767.21 28975330.54 14936028.25 34075145.78 28177206 27221357.02 29888343.72 25314381.26 25142828.53 29880631.72 32298337.73 23830806.05 31550715.29 26176049.86 4870608.394 24716778.08 12260425.24 15624792.2 28536062.63 33617005.62 24251682.12 22608136.3 22823539.11 16348756.34 39301395.6 8804501.411 31525427.11 75682997.16 37158373.53 11149358.46 13457179.94 5701660.467 11251743.82 20088569.42 106747823.5 3937730.501 359260705.7 9378975.071 11866987 29487547.96 32751811.96 779038.468 4732776.352 3048926.366
Valeroidine 47281.03356 365842.9857 14806.61885 58520.54319 27839.50406 61810.3441 706228.4957 143585.3507 369690.4584 208016.7504 1660986.326 711989.3621 1391859.24 1216912.275 687761.7026 489426.378 1544786.557 135922.021 210440.5266 253310.3517 339276.0954 231642.8146 752912.001 248708.4202 262793.9235 57753.82736 43272.27797 3201003.322 633419.4843 117105.8888 256779.4781 81094.11762 219886.7617 2034483.935 308228.6165 821955.2 526274.6604 1901695.024 136404.2428 346630.8475 465550.2529 379691.3562 364374.1329 343468.8677 418516.2703 326592.8015 427331.3657 359435.3776 210554.5061 405949.037 171796.3143 501363.3119 165021.5717 1014073.551 399926.9376 112376.1112 803364.6433 143545.9883 68966.4294 61712.77241 1761182.783 147298.8357 279037.4386 384793.8259 304183.5631 200540.5241 3163273.906 6573.368692 24990.12124 43270.13531 119485.1254 101735.5354 253879.9167 90590.28615 133537.6137 125946.4734 218618.1468 222529.8521 511296.0612 1529.364485 21833.36194 3605.301437
valpromide 21390990.28 17763806.91 16995075.75 30276911.92 24520816 9984614.816 19628646.23 15995895.19 10314982 14615678.72 19994243.99 13682412.88 8007178.19 11468117.43 8922576.123 6888884.195 8201193.399 10138939.41 11819922.48 30472300.1 15705816.88 57675519 8269957.913 9897868.995 9631799.752 12706421.74 7043756.49 14345577.87 10534854.04 9687013.557 13237926 18443081.58 19285651.33 15505512.8 7610595.686 7443701.284 8178620.368 11421089.44 16754644.83 5300206.238 12364522.17 7918759.751 6813269.417 12398779.64 5620708.275 14682255.88 5896320.828 10328203.39 22065231.6 12856231.38 11175992.71 14789661.71 20786148.42 22456787.01 17212166.52 10408513.91 23173085.7 27052251.47 37157364.73 20267439.23 32868708.14 14969764.42 24473250.89 14738952.62 26001039.86 7746895.587 34706329.36 13611755.07 19851618.6 34391867.02 18022021.76 8735338.56 14246459.51 19925224.18 14741109.33 28004160.84 12636637.88 17536948.74 22716973.6 4101171.384 1594371.738 1285019.785
WLH 22640816.22 17037923.79 34973486.07 14817017.01 38628113.97 42573553.35 9637469.38 7136893.023 6869764.366 5327223.768 5086622.155 12069671.43 3627934.036 1373880.252 9122310.574 1286134.683 3787674.695 18526276.5 4376568.246 4114622.486 6206627.699 17953332.32 22473146.8 35643452.47 10244514.11 13913012.35 21280966.31 13651709.66 9705838.595 11736090.13 36458797.8 20558224.73 16971227.44 22676944.57 23032174.67 32869305.48 17475132.03 10445480.86 21970867.59 18355448.09 9906204.759 14623850.34 15016249.39 8100688.241 5538041.108 13927436.33 8431924.203 2382803.75 6730680.392 3287055.143 9287844.583 62393849.94 261973326.4 572010099.1 6857216.391 16665097.72 11354920.46 4296848.372 11600820.64 22741703.73 385828068.8 536756010.1 84392377.52 39407628.48 78059698.43 96999074.33 58860985.75 19103731.08 40830370.72 16026304.69 17240350.71 44479162.15 5604492.562 18299358.24 27192295.12 11300676.09 22899782.23 16921202.38 5384782.56 1212192.953 8666756.271 2136484.815
Yellow OB 7579510.834 2883659.352 8536972.653 1429024.742 13483478.91 9813607.123 1742408.508 1945209.779 837027.0365 999233.6267 1080195.609 1380845.159 3223166.168 310247.2685 840036.0533 386402.3766 2398552.069 4862057.495 1778873.079 1588850.391 563746.9581 1296721.729 6434205.383 2917764.291 1773355.27 2167564.438 3039920.724 5306474.658 2353560.892 11002170.36 5949310.88 4540480.591 6606498.522 1228456.682 3905595.579 2667802.3 3891341.397 1513720.168 2974723.738 3544447.459 2137590.581 2440909.187 1948668.362 406175.6046 1882674.704 1056107.067 1223523.495 549342.9534 1302205.756 1260189.761 1019069.708 5964479.291 12148802.95 4837375.193 2284363.451 4380714.151 2819970.634 1550121.337 1511001.621 1093698.34 15345478.76 7504261.634 2175852.779 4293220.443 8923811.969 7702676.651 3298615.18 4309680.746 6595525.87 5280066.272 4476591.477 4420747.429 2049308.867 4476590.129 8887110.507 2024181.494 7685481.344 2960940.166 1719002.977 269642.5154 1241150.745 240913.2833
Z-Arg-Arg 110815.5791 846426.7441 724485.5628 228112.3891 356221.4355 622127.7218 447617.5402 252716.2011 129429.1816 687491.5119 233634.3104 31415.95682 6470.617025 290248.4002 453760.3736 181402.1797 298736.9742 26406.3876 106402.8502 74548.81109 971316.3689 91885.60735 163740.5043 56341.84329 214858.9748 188307.0538 567964.9551 817618.0042 1158528.196 2798565.213 1175940.561 649983.5202 364575.1716 242791.0131 1100694.91 291871.1148 1118120.914 28208.33933 837556.7602 119865.7613 686008.4753 646657.875 408473.6255 83504.91897 312993.5581 350342.1753 461077.9635 266735.7406 462272.0764 199581.4036 257390.3276 95694.97499 246227.0021 822756.4261 101609.5965 95380.61547 819944.2398 101613.1229 535464.7128 394468.3227 116587.969 133126.7144 751530.9047 1116668.128 564490.3416 316395.265 134857.9023 513020.3991 1065171.116 2366304.472 3569447.671 728140.6953 269510.2927 62661.57833 84763.05302 349333.5185 641022.6218 92451.95437 245164.4059 67417.28155 41914.85036 30182.20834
Zizyphine A 292412.1063 1045864.881 359887.2257 754044.3281 1499085.384 3825002.813 449362.5929 281482.4348 392979.6723 94864.64401 181310.0755 1207787.319 753491.6859 352392.0899 200794.8677 163199.1439 532230.7443 231965.7939 137880.2543 108519.2227 279745.5991 102043.8865 349193.4666 366404.4744 125565.8461 188437.2723 307168.7981 712868.7274 281712.9265 287012.6315 447816.6371 479552.6416 972435.8697 436514.9683 230624.1998 607901.1374 523389.5795 1007037.9 1998121.8 184424.1681 528801.8975 338213.1052 143950.2803 378102.3775 238406.9301 186059.5448 255760.2294 353546.1908 170912.2545 307588.2502 299141.6171 213332.2054 374803.4694 242323.1396 166224.2963 211042.4201 174242.9084 245768.0835 121438.4066 274854.0009 124587.3066 95131.68162 57740.50082 650197.1688 3863337.582 810523.3838 322545.8502 363708.0768 3143459.99 363673.0309 289731.3384 806092.5593 384382.7991 3489061.205 753143.3724 287593.1379 106406.2402 232064.9586 377403.4329 105111.544 39582.04527 24470.77325
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name Calc. MW m/z RT [min]
(-)-Borneol 154.13652 155.14379 0.221
(-)-cassine 297.2661333 308.9487033 10.41833333
(-)-Lupinine 169.146212 195.7744527 7.5056
(-)-Phaseollin 322.1212 340.15509 0.901
(-)-Salsoline 193.10978 194.11705 5.534
(-)-trans-Carveol 152.12086 153.12821 12.852
(+)-calycanthidine 360.232435 361.239565 2.6905
(+)-N-Methylconiine 141.1513883 143.988786 9.336314286
(+/-)-Eucalyptol 154.13682 155.1441 5.445666667
(14E)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 2-O-butyryl-3,4,6-trideoxy-3-(dimethylamino)hexopyranoside 651.3999557 696.98665 0.603857143
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate 198.13624 199.14351 4.554
(1Z,3S,4Z,6S,7E,9S,15aR)-9-sec-Butyl-1,4,7-trihydroxy-3-[(6R)-6-hydroxyoctyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one 625.386295 626.39373 13.3225
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol 183.161783 203.3847885 6.11445
(24R_24'R)-Fucosterolepoxide 428.3641333 429.37141 5.818333333
(2-Chlorophenyl)diphenylmethanol 294.08012 277.076815 1.764
(2E)-1-(4-Hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-2-propen-1-one 336.13785 337.145125 13.5375
(2E)-2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile 282.11703 283.12533 1.51
(2E)-hexadecenoylcarnitine 397.31737 398.32489 3.928
(2E,4E,16Z)-1-(1-Piperidinyl)-2,4,16-icosatrien-1-one 373.3333668 374.3406126 7.051578947
(2E,4Z)-N-Isobutyl-2,4-decadienamide 223.1930014 242.5010543 8.216142857
(2E,4Z,12E)-1-(1-Piperidinyl)-2,4,12-octadecatrien-1-one 345.301796 346.309072 2.8174
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide 193.14618 194.153465 8.694
(2E,6Z)-N-Ethyl-2,6-nonadienamide 181.1463033 186.8254517 9.687166667
(2R)-1-(Phosphonooxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate 664.412535 684.397625 2.6825
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate 527.29935 528.30663 3.763
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate 499.26804 500.27532 3.768
(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate 807.57632 808.58362 3.542
(2R)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid 364.14877 365.1560464 5.869363636
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (9Z)-9-tetradecenoate 590.39673 591.40554 1.48
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl (9Z)-9-tetradecenoate 671.48616 672.49344 3.131
(2Z,4E)-1-(1-Piperidinyl)-2,4-icosadien-1-one 375.3493893 384.3574157 8.133952381
(3E,5E,7E,9E,11E,13E,15E,17Z,19E)-5,9,14,18-Tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7,9,11,13,15,17,19-icosanonaen-2-one 456.3413633 457.3486333 5.498666667
(3R)-beta-Leucine 131.0943586 132.1016386 10.7027619
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien-3-imine 209.177281 219.792502 9.8457
(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxime 196.1749549 197.1821829 1.810028571
(4-methylphenyl)[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazino]methanone 268.5455229 269.5521357 12.15028571
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate 285.19316 286.2001 3.379
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one 408.17476 409.18204 2.013
(5S)-5-hydroxy-1,7-diphenylheptan-3-one 300.2694259 302.5697665 1.674764706
(7alpha,18S,20R)-12,20-Cycloormosanine 315.268045 355.282465 0.7045
(9alpha,11alpha,13E,15S)-5,6,9,11,15-Pentahydroxyprost-13-en-1-oic acid 388.24802 389.25466 3.048
(9cis,13'cis)-3,3'-Dihydroxy-7,8-didehydro-beta,beta-carotene-4,4'-dione 594.37247 595.37882 0.104
(cyclohexylmethyl)pyrazine 176.1308243 181.71332 4.021285714
(R)-2_3-Dihydroxy-3-methylpentanoate 148.07323 319.13522 4.646
(R)-2-Methylimino-1-phenylpropan-1-ol 163.099485 164.106725 14.157
(R)-3-Hydroxybutanoate 104.04722 105.05423 5.504
(R)-6-Hydroxynicotine 178.1102 185.522748 6.4796
(R)-Acetoin 88.0524137 94.24885111 1.917444444
(S)-Carnitine 161.10477 156.1085267 4.836666667
(S)-Nicotine 162.11522 179.135655 8.275
.alpha.-Naphthylthiourea 202.0560043 207.9280071 1.210428571
?-Coniceine 125.11979 167.15361 6.813
[FA(16:2)]N-hexadecyl-ethanolamine 299.2815629 297.7159314 9.283571429
[FA]O-Palmitoyl-R-carnitine 399.33325 400.34058 3.657
[FAamino(5:0)]2S-amino-pentanoicacid 117.0788623 118.0862119 6.43925
[FAhydroxy(4:0)]N-(3S-hydroxy-butanoyl)-homoserinelactone 187.08403 220.11753 0.845
[FAoxo(6:0)]N-(3-oxo-hexanoyl)-homoserinelactone 213.0995 214.10675 4.102
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid 145.07358 146.08086 0.201
1-(1Z-hexadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine 723.51867 724.52594 2.924
1-(1Z-hexadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine 699.51776 732.55124 3.508
1-(1Z-hexadecenyl)-2-oleoyl-sn-glycero-3-phosphoethanolamine 701.53421 702.54138 3.196
1-(4-Hydroxyphenyl)-2-aminoethanol 153.07947 154.08675 4.477
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 567.33095 568.33822 4.209
1,1'-(3,5-Pyridinediyl)di(1-decanone) 387.3126683 388.319945 1.911
1,1-Diethoxy-3-(methylthio)propane 178.10282 179.11009 4.507
1,26-Hexacosanediyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate] 722.47495 723.4826 1.159
1,2-Dihydropyrimidine 82.05325901 90.6781003 6.550366337
1,4-Dimethylimidazole 96.06893 97.66934037 8.743481481
1,5-Dimethylbicyclo(3.2.1)octan-8-one oxime 167.13077 209.16467 0.403
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholine 731.54379 732.551055 3.9825
1-[1-(1-Benzothiophen-2-yl)ethyl]urea 220.066522 221.07384 1.3352
1_2-Diaminobenzene 108.0684829 118.2262814 9.964857143
1_2-Dihydrovomilenine 352.1775 394.21141 1.761
1_4-Lactone 86.03675667 121.39868 1.146666667
1_8-Diazacyclotetradecane-2_9-dione 226.16724 227.17475 1.521
1-{3-Hydroxy-3-[(2E,4E,6Z,8E,10E,12E,14Z,16E)-6,11,15-trimethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16-heptadecaoctaen-2-yl]-2-oxiranyl}ethanone 488.33097 489.338245 1.118
11-(Hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-3-picenyl 4-aminobenzoate 559.40541 560.41268 13.504
11-Aminoundecanoic acid 201.1723075 202.1795837 8.667269231
11-Nitro-1-undecene 199.15697 200.16407 2.466
17-amino-5?-androstan-11-ol 291.25536 274.25219 0.948
17-OXO DEXAMETHASONE 332.1802 321.1804667 14.29833333
1-Aminocyclopropane-1-carboxylate 101.047815 102.05511 4.66075
1-Ethyl-1H-pyrrole-2-carboxaldehyde 123.068175 128.0860475 1.6465
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 763.5126 764.51987 3.06
1-Linoleoylglycerophosphocholine 519.33176 520.33826 4.11
1-Methylguanine 165.0645367 166.0718333 3.191
1-Methylpyrrolinium 83.07338765 108.9264365 8.055588235
1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine 689.4968 690.50408 3.193
1-Nitrosopiperidine 114.0793733 109.083185 6.292333333
1-oleoyl-2-linoleyl-sn-glycero-3-phosphoethanolamine 741.5298 742.53616 3.135
1-Oleoylglycerophosphocholine 521.3464667 522.35361 4.147
1-Palmitoylglycerophosphocholine 495.330575 496.337845 4.1755
1-Phenylethylamine 121.08884 130.6094415 9.513038462
1-Pyrroline 69.057925 90.578595 3.8675
1-tetradecyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine 689.53325 690.54053 3.535
2-(1-Methyl-2-piperidinyl)-1-phenylethanol 219.16309 480.36068 0.932
2-(4-Methylthiazol-5-yl)ethyl decanoate 297.1774457 298.1847229 1.213571429
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol 177.0995 194.1199483 2.960666667
2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide 168.12572 169.13299 4.479
2,2'-Iminodipropan-1-ol 133.10999 129.6146025 6.9065
2,3-Bis(octanoyloxy)propanimidic acid 357.25014 358.25742 1.827
2,3-Diethyl-5-methylpyrazine 150.115285 149.419971 8.7349
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzenediol 252.13608 247.1397933 4.448
2,4,6-triaminotoluene 137.09521 215.16407 4.4945
2,4-Diaminotoluene 122.08432 123.091538 14.07
2,4-DIMETHYL-2-IMIDAZOLINE 98.08453 99.091905 5.704166667
2,4-Dimethyl-5,6,7,8-tetrahydroquinoline 161.1201043 162.1272821 10.469
2,5-Diethyl-3,6-dimethylpyrazine 164.1308733 165.13819 13.47066667
2-[(11Z,14Z)-icosadienoyl]-sn-glycero-3-phosphoethanolamine 505.31601 506.3229675 1.49175
2-[(1Z)-1,2-Diamino-1-propen-1-yl]phenol 164.09518 367.15433 0.831
2-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-naphthoquinone 770.599075 771.6061 3.5765
2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine 503.30158 504.30676 3.757
2_2'-Iminodipropanoate 161.06822 162.07551 4.437
2_3-Bis-O-(geranylgeranyl)glycerol1-phosphate 716.51577 717.52302 3.231
246I1D7TDL 207.1619867 204.1669444 5.519888889
2-Amino-3-hydroxy-15-methyl-1-hexadecanesulfonic acid 351.2447157 352.2520271 1.209285714
2-Amino-3-hydroxyoctadecyl beta-D-glucopyranoside 463.34912 464.35608 1.212
2-Amino-4-[(3-aminopropyl)amino]butanoic acid 175.1316533 186.6403267 3.9305
2-Aminoacetophenone;O-Acetylaniline 135.06819 144.588775 14.3535
2-Aminophenol 109.0528033 110.0601833 14.36766667
2-Deoxy-2-(dimethylamino)-alpha-D-glucopyranose 207.11037 208.11753 0.859
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine 167.105302 168.11262 6.4994
2-Ethyl-2-phenylmalonamide 206.1047 207.11206 4.016
2-Ethyl-4,5-dimethylthiazole 125.08357 126.09112 1.212
2-Hexenoylcarnitine 257.16188 258.16918 4.937
2-Hydroxyphenethylamine 137.0838986 135.5182043 6.489714286
2-Isobutoxypyrazine 152.09475 153.10208 0.332
2-Isobutyl-3-methoxypyrazine 166.11023 167.1175018 10.22081818
2-Isopropyl-3-methoxypyrazine 152.0946183 153.101945 8.359166667
2-Methyl-5-vinylpyrazine 120.06883 121.07617 0.379
2-Methyl-6-undecylpiperidine 253.2760996 255.6758513 7.405478261
2-Methylcholine 117.1153538 115.8712813 9.001666667
2-Methylnicotinamide 136.06328 137.07063 14.868
2-MethylpropanalO-methyloxime 101.084198 102.0914942 5.551652174
2-Methylpropanaloxime 87.06862375 88.0760585 10.494175
2-Methylpropanamine 73.0894825 74.09676 8.06575
2-Methylpyrrolidine 85.08965 86.09695 1.057
2-Oxo-3-(phosphonooxy)propyl formate 197.9933344 199.0006289 11.27588889
2P5MU968XW 247.19268 256.2067825 4.67525
2-Pentyl-1,3-thiazolidine 159.10838 142.10511 4.092
2-Pentylpyridine 149.1200258 155.2868903 5.323878788
2-Phenylcyclopropanamine 133.0887818 134.0960655 6.782727273
2-Pipecoline 99.10492 100.11227 3.17
2-Piperazinecarboxylic acid 130.0742333 113.0710667 0.993
2S-Amino-tridecanoic acid 229.2034325 228.7097758 10.15091667
3-(1-Piperazinyl)benzisothiazole 219.0824057 220.0896843 2.048714286
3-(3,4,5-trimethoxyphenyl)propanoic acid 253.7464844 263.0881139 10.86455556
3-(7'-Hydroxy-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl)-1-(4-methyl-5-oxotetrahydro-2-furanyl)-2-butanyl acetate 546.35324 610.36928 2.934
3-(Isothiocyanatomethyl)-1H-indole 188.040374 221.073854 1.0288
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one 138.09703 155.117465 3.153
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 337.1332831 338.1404392 6.385307692
3-[(6-Oxodecanoyl)oxy]-4-(trimethylammonio)butanoate 329.21908 330.22636 2.015
3-Amino-3-(4-hydroxyphenyl)propanoate 181.07372 182.08099 5.439
3-Amino-5,7-dimethyl-1-adamantanol 195.161763 205.377421 6.3635
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid 137.04734 138.05465 5.493
3-Dehydroxycarnitine 145.1098986 146.1171755 4.888795455
3-Epihydroxy-2'-deoxymugineicacid 320.1223167 321.1295944 1.524333333
3-Guanidinopropanoate 131.069238 128.474444 7.4796
3-Methyl-3-phenylazetidine 147.104426 148.111726 11.2314
3-Methylbut-2-enal 84.05751 85.06502 4.265
3-Methylcrotonylglycine 157.07351 174.09393 7.7515
3-Methylcyclopentene 82.07844667 100.1123133 2.875333333
3-Phosphonooxypyruvate 183.9776025 192.6774719 13.0524375
4-(1,2,3-thiadiazol-4-yl)phenyl pivalate 262.0808125 263.0880875 5.949916667
4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohexanediol 204.1355771 212.4400029 13.42414286
4-(1-D-Ribitylamino)-5-amino-2_6-dihydroxypyrimidine 276.10579 277.11307 1.679
4'-(2-{[3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl]amino}ethoxy)-3'-methoxy-4-biphenylol 498.21352 499.220798 9.2828
4-(3,5-Diphenylcyclohexyl)phenol 328.18425 329.19154 14.509
4-(beta-Acetylaminoethyl)imidazole 153.09063 329.17101 12.692
4-(hydroxylamino)-N,N-dimethylaniline 152.0944 153.10172 4.516
4,4'-diapolycopen-4-al 414.29388 415.30116 1.318
4,6-Diamino-5-formamidopyrimidine 153.064595 154.07183 3.5085
4-[(1S)-1-Cyclohexyl-2-(2-piperidinyl)ethyl]cyclohexanol 293.2711779 292.4152676 4.497310345
4-[(2-Hydroxy-4-methylpentanoyl)amino]-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid 519.29543 520.30271 0.518
4-Aminopyridine 94.05334842 95.06062684 8.815789474
4-Guanidinobutanal 129.08997 130.09723 4.295
4-Hydroxy-L-threonine 135.054095 136.06138 2.346
4-Hydroxymethylphenylhydrazine 138.0790867 136.0025633 8.30325
4-Imidazolemethanol 98.04831 96.93665294 1.553117647
4-Methoxyaniline 123.0682714 126.4376479 11.088
4-Methyl-2-propyloxazole 125.08389 126.09123 14.664
4-Nitroaniline 138.0425875 139.049855 2.03775
4-Trimethylammoniobutanal 129.11505 139.2393844 8.007
4-Vinylpyridine 105.0578392 106.0652522 6.280583333
5,5',6,6'-Tetrahydro-3',6'-epoxy-beta,beta-carotene-3,5,5',6-tetrol 618.4304425 619.4377125 1.0945
5,6-Dichloro-1,3-cyclohexadiene 147.98538 148.99269 0.95
5-Aminopentanamide 116.0946993 134.2187937 7.693666667
5-Ethyl-4-methyl-2-octylthiazole 239.172315 240.179595 14.1105
5-Methoxybenzimidazole 148.06307 234.09254 1.801
5-Methoxy-N_N-dimethyltryptamine 218.14118 219.14845 3.767
5-Methyl-4-pentyl-3,4-dihydro-2H-pyrrole 153.1513267 154.1586933 14.32766667
5-Undecyl-1,2-dihydro-3H-pyrrol-3-one 237.208745 245.223985 8.258
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine 123.10459 124.1120533 13.18266667
6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyridinecarbonitrile 223.7802733 232.1148456 5.709888889
6'-Apo-y-caroten-6'-al 442.3254683 443.3327433 10.00966667
6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine 218.0872175 219.0944488 1.086
6-Methylnicotinamide 150.0791133 141.9170767 5.729666667
6-methyltetrahydropterin 181.0960056 182.1033089 3.158111111
7-(1-Ethoxyethoxy)-4,10-dimethyl-3,5,9,11-tetraoxatridecane 308.218835 312.0639617 7.310166667
7_8-Diaminononanoate 188.15213 221.185595 14.4905
7-chloro-2-methyl-3-(tetrahydrofuran-2-ylmethyl)-3,4-dihydroquinazolin-4-one 278.0848248 279.0921071 8.092193548
8-methylthiooctanaldoxime 189.11825 181.12026 1.2985
9,19-Cyclolanost-24-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate 588.419558 589.426834 1.0334
9-Decenoylcarnitine 313.22409 314.23137 3.034
Acetoneoxime 73.05297 106.08645 5.248
Acetylcadaverine 144.126075 136.12811 14.038
Acetyl-L-carnitine 203.1152 204.12248 5.703
Acmimycin 346.17462 329.17133 5.775
Adenine 135.0541064 136.0613873 2.577727273
afegostat 147.0891746 146.7109862 1.454
AL9450000 84.06894286 102.2331057 6.060428571
Ala-Pro(Alanyl-Proline) 186.09995 178.101945 5.0715
Alfentanil 416.252885 417.260125 1.348
Alimemazine 298.14937 299.15688 1.322
allopurinol 136.038075 137.04537 3.357125
Amide C18 283.2867625 289.2982369 10.9935625
Amide C22 339.349065 340.3563414 7.188571429
Amidrine 129.1514926 130.1587539 2.507
ammodendrine 208.15699 209.16439 1.901
Amorolfine 317.2708874 318.2781638 8.168088235
Amphetamine 135.104496 142.3548677 7.956366667
Anatabine 160.099685 173.116845 14.30325
Aphylline 248.1886467 249.1957833 0.495666667
APM 175.08409 197.4421693 8.9444
ARECOLINE 155.09418 156.10147 4.526
arg-asn 288.1540867 283.15777 9.193333333
aspergillic acid 224.15159 225.15886 4.45
Atagabalin 185.1414913 213.548075 10.0926875
Atipamezole 212.13094 213.1382117 1.599166667
axitirome 453.16042 454.16769 1.446
Bamethan 209.14088 210.14816 3.824
Benzamidine 120.068468 127.481044 9.0102
Benzylamine 107.0734173 115.4913795 7.322975
Bethanidine 177.1259 178.13317 3.618
Bis(2-chloroethyl)amine 141.0108 142.01807 4.329
BORRELINE 266.14148 267.14875 0.98
Buclizine 432.2326 433.23991 0.77
butoctamide 315.2034917 316.2107683 2.523111111
C18-Carnitine 427.3645433 428.37182 3.321
Calystegin B2 175.083965 208.117445 1.598
Caprolactam 113.08376 114.09145 14.022
Capryloylglycine 201.13637 202.14331 7.9045
Capsi-amide 269.2710556 270.2783321 8.398666667
CETABEN 361.2969631 357.8015475 4.53725
Choline 103.0998197 104.1070776 6.353166667
clocinizine 402.18504 403.19231 14.906
Coniine 127.1357648 132.3682793 8.941740741
Creatinine 113.0588685 117.4922336 11.91354545
Crotono-betaine 141.1150229 149.6279621 9.998857143
Cryptophorine 261.20851 262.21604 14.8
Cyanopyrazine 105.0323025 122.0527225 12.0205
Cyclo(leucylprolyl) 210.13668 211.14382 14.002
Cyclohexane 84.09397286 85.10127571 1.594714286
Cyclohexapyrazine 134.08435 167.11784 0.424
Cyclohexylamine 99.10485074 101.3189066 6.884955882
Cyprodenate 227.18787 228.195185 2.1785
D-2-Amino-hexano-6-lactam 128.0948944 123.0985711 5.969666667
D-Cathinone 149.0838 150.09106 7.845
DD9275000 132.068482 133.07576 6.0014375
Deanol 89.08433333 90.09168917 11.58658333
Decarbamoylsaxitoxin 256.128 257.13538 14.535
delcorine 479.29039 480.29767 0.597
delta-Guanidinovalericacid 159.10045 160.10755 3.921
deoxyhypusine 217.17813 218.18541 4.3205
desvenlafaxine 263.18735 264.19462 12.715
Dexamisole 204.0715322 205.0788075 8.09634375
Dichlorocarbene 81.93739 123.97115 2.317
Dicyclohexylamine 181.1825351 183.9209946 9.823162162
dicyclohexylcarbodiimide 206.17733 207.18486 3.223
Dicyclomine 309.2658389 310.2730942 9.077421053
Diethanolamine 105.0791665 102.90806 7.979647059
Diethylamine 73.08960824 74.09688235 8.637
dimetamfetamine 163.13576 164.14316 0.643
Dimethylaminopropionylphenothiazine 298.1131436 299.1204218 1.255
Dimethylbenzimidazole 146.0841375 147.0914225 14.129
Dinitrosopentamethylenetetramine 186.08626 187.09353 5.41
D-Lysyl-L-valyl-D-valyl-L-allothreonine 445.288035 446.295215 1.7725
D-Methionine 149.050615 150.05789 5.577
Dolichotheline 195.1366688 196.1439363 6.069
D-Phenylalanine 165.07844 166.08572 4.948
D-Pipecolicacid 129.07844 130.08584 14.612
D-Proline 115.0631975 124.0770575 4.90475
Epinephrine(OrL-Adrenaline) 183.08897 184.0963 4.08
ethambutol 204.18336 205.19064 14.148
Ethephon 143.9744736 144.9817512 5.718151515
Ethinylestradiol sulfonate 402.18531 403.19259 14.335
ethyl 1-{[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]carbonyl}-4-piperidinecarboxylate 397.2328857 398.2401614 1.155857143
ethyl 2-{4-[(4-methoxyphenyl)methylene]-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl}acetate 364.1485883 365.155865 1.846083333
ethyl dibunate 348.17507 349.18235 13.621
Etiracetam 170.105 171.11222 4.419
Eudesobovatol A 504.32483 505.33136 0.92
Fingolimod 307.2502 302.2539733 14.21566667
fluocortolone pivalate 460.26404 461.271315 1.381
fluromidine 220.99708 222.00425 5.029
Forasartan 416.2454 417.25252 0.946
Fumaricacid 116.011465 117.01874 4.4225
Gabapentin 171.125916 209.764006 6.6182
gamma-Coniceine 125.1200688 138.7120233 6.478272727
gamma-Glutamyl-gamma-aminobutyraldehyde 216.1104 217.11768 4.5
Geosmin 182.16797 205.15715 1.254
Ggamma-L-Glutamyl-L-glutamicacid 276.09646 277.10374 5.562
Glabrol 392.20076 393.20804 0.168
glutethimide 217.1113 218.11857 4.447
Glycerol 5-hydroxydodecanoate 290.2083703 299.8932744 9.935
Gly-Pro(Glycylproline) 172.08425 173.09151 4.045
Gramine 174.11547 175.12279 14.168
Graveoline 279.0886 280.09587 13.267
Guanadrel 213.14715 196.14386 4.638
Guanine 151.04894 152.05622 4.311
GW7191000 327.1877738 328.195625 4.37575
Heptaethylene Glycol 326.1931592 333.2888383 1.567916667
heptaminol 145.14614 128.14294 1.299
Hexadecanamide;Palmiticamide 255.2553632 256.2626358 6.396947368
Hexoprenaline 420.22623 421.23351 1.333
Hexylamine 101.120625 102.127903 7.4711
Histamine 111.080015 188.140945 13.6865
HMBA 200.151765 201.159155 4.2355
HO-dPEG8-OH 370.21933 388.25315 1.547
Hordenine 165.1149333 168.9599617 12.15183333
Hydroxynorleucine 147.08927 148.09653 2.113
IE1225000 103.1105075 104.117785 6.8225
Imagabalin 173.1415414 220.0420864 5.181785714
Imidazole-4-acetaldehyde 110.04793 152.08162 14.301
iminoquinoline 144.06857 145.07585 14.808
indanazoline 201.12592 202.1332 4.542
Indane 118.0779908 145.1094531 2.884923077
Inspra 414.203215 415.21057 1.3615
Iprovalicarb 320.21048 321.21775 4.792
Iridodial glucoside tetraacetate 498.21249 499.21977 13.866
Isoleucine - 6C13 137.1143816 155.361121 10.54216129
Isoniazid 137.0587267 138.0659033 5.069666667
Isoprene 68.06267 69.0702 1.93
Isoquinoline 129.0580933 258.11054 7.256333333
ISOXYL 211.13182 212.13957 4.674
Istamycin C1 431.2721 432.27938 0.488
KJ9800000 398.24227 399.2495267 0.858
Korec 438.21329 439.22057 2.324
L-(+)-Valine 117.0783467 118.08584 13.09133333
L-?,gamm 747.57499 748.58212 3.544
Lasalocid A 590.379005 591.385075 14.034
Lauramide 199.193115 199.5076219 8.826653846
Leucamine 87.10510062 88.11238954 6.787861538
Leucinamide 130.1106085 121.4198085 12.36230769
Levallorphan 283.1944567 284.20171 3.871166667
Levamisole hydrochloride 193.393835 205.0787947 2.100029412
L-gamma-Glutamyl-L-hypoglycin 270.12278 271.13006 13.927
L-isoglutamine 144.08965 145.09679 4.164
LQ1825000 127.0994329 130.5392257 4.992428571
Luciduline 207.16181 208.16912 1.8
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)) 541.31478 542.32206 3.912
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 525.28365 526.29093 3.759
MACAMIDE 1 345.3020778 346.3093537 8.703259259
Mammea A/AA 406.17995 407.18735 4.636
Meclizine 390.18523 391.19251 0.576
Melilotoside A2 634.40508 635.41167 13.993
Menaquinone 8 716.552165 717.55944 3.6095
mephentermine 163.1357004 168.1483044 10.2644
Meptazinol 233.1768425 308.23059 7.99825
mesaconitine 631.29617 632.30345 0.154
Methoxyphenamine 179.13044 180.13771 3.87
Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,13,17,21,25-hexamethyl-2,4,6,8,10,12,14,16,18,20,24-hexacosaundecaenoate 472.33583 473.34311 14.275
Methyl 15-cyanopentadecanoate 281.2347 282.24192 14.1905
Methyl 4-{[6-deoxy-2,3,4-tri-O-methyl-alpha-L-galactopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-2-O-methyl-alpha-L-mannopyranosyl]oxy}benzoate 646.28524 324.1499 2.229
Methyl diisopropyl propionamide 171.1618417 172.169115 10.12
Methyl N-formylnorleucylleucylphenylalaninate 433.25787 434.265155 1.0255
Methylcyclopentane 84.09358 85.10112 0.552
methylguanidine 73.06455333 74.07169667 9.314
Methylimidazoleacetaldehyde 124.06367 125.0709 14.533
Mexiletine 179.13057 171.1325913 4.66
MFCD02259286 702.565075 703.572355 4.1475
MFCD24849356 299.11648 300.12376 1.104
Miglitol 207.1101465 208.1174154 2.783648649
Militarinone A 459.2605069 460.2677815 3.580076923
MM3670000 282.1669545 292.74965 1.861774194
Moxisylyte 279.182853 280.190158 2.5671
MTIC 168.07549 210.10909 4.121
Myristamide 227.224114 228.23139 2.9976
N-(2,6,10,14-Tetramethylpentadecanoyl)glycine 355.3075567 356.31477 14.55833333
N-(3-acetamidopropyl)pyrrolidin-2-one 184.12067 185.12792 4.06
N-(3-Oxododecanoyl)homoserinelactone 297.1931775 301.70443 1.6775
N-(6-Aminohexanoyl)-6-aminohexanoate 244.17799 245.18526 4.171
N,N-Dimethyl-N-phenylurea 164.094655 165.10193 14.3775
N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine 784.64307 785.65034 3.916
N_N-Dimethylsphing-4-enine 327.3126733 328.31995 10.18133333
N1-(5-methylisoxazol-3-yl)-2-cyano-3-(4-cyanophenyl)acrylamide 278.082417 279.089699 9.2206
N1-bicyclo[2.2.1]hept-2-yl-2-{4-[(dipropylamino)sulfonyl]benzoyl}hydrazine-1-carbothioamide 452.2007529 453.2080286 1.529142857
N2-tetrahydrofuran-2-ylmethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine 278.0851065 279.092387 10.25115
N6_N6_N6-Trimethyl-L-lysine 172.15718 173.16448 0.683
N8ONU3L3PG 225.13616 226.14301 3.885
N-acetyl-DL-cysteine 163.03067 164.03794 0.894
N-Acetyl-D-quinovosamine 205.0943233 227.1044967 0.816666667
N-Acetyl-L-histidine 197.07938 198.08665 6.133
N-Acetyl-L-leucine 173.1039 369.19822 0.88
N-Acetyl-O-demethylpuromycin 499.21665 500.2239283 1.488333333
Naphthalen-2-amine 143.0737625 247.1228425 14.178
N-benzyl-N-isopropyl-N'-[4-(trifluoromethoxy)phenyl]urea 307.1261985 325.0639438 9.151846154
N-cyclohexyl-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide 257.8230187 261.9599761 8.573891304
N-Cyclohexyl-N-methylcyclohexanamine 201.952055 218.972415 2.149
N-Desmethyltramadol 249.17199 250.17925 4.508
n-Dibutyl sulfide 146.1131575 147.1204775 6.94625
N-Ethylamphetamine 163.1357367 164.1430167 1.772666667
NFP 113.0837862 133.7996354 4.799615385
N-Heptadecanoylglycine 327.276605 390.3299117 9.902666667
n-Hexanamide 115.0996153 116.1069055 10.65992105
N-Hydroxydecanamide 187.156732 188.164006 3.824
Nicotinamide 122.0478 123.055085 1.577
Nigrifactin 175.1356783 176.1429543 6.937826087
N-lauroylglycine 257.19898 418.310495 13.47
N-Methyldioctylamine 255.291747 256.2990236 1.226969697
N-Methylphenylethanolamine 151.0992961 154.3339726 8.914806452
N-Methylpyridinium 93.05794239 98.13691022 6.897369565
N-Nitrosodiethylamine 102.07937 103.08665 5.398
Nonane-4_6-dione 156.11459 157.12187 4.346
Nornicotine;L-Nor-nicotine 148.09971 149.10702 11.03525
Notoamide E 433.23605 434.2429 1.088
NP-002105 409.4610113 410.4683013 0.9635
NP-008993 336.2319987 337.2392773 2.764666667
NP-009373 345.73231 349.1820133 1.753888889
NP-016596 408.1747507 409.1820273 1.778333333
N-Pentacosanoylglycine 439.4011308 440.4084075 2.142833333
N-Phenylcarbamoyl 3-amino-2-[4-(trifluoromethyl)piperidino]pyridine ethanolate 364.148755 365.1560333 1.7055
NPYR 100.06402 92.06592 3.7825
NSC 622050 285.22946 286.23667 14.338
N-Sulfo-D-glucosamine 259.03601 260.04328 4.78
N-tert-Butyloxycarbonyl-deacetyl-leupeptin 484.33555 485.342775 1.2255
nufenoxole 387.23291 388.24018 4.111
N-Undecanoylglycine 243.182736 244.190012 4.4626
NX4900000 133.08868 134.0959867 10.46333333
O-behenoylcarnitine 483.42734 484.43462 1.417
Octylamine 129.1515523 130.1588277 12.25564516
ODA 269.3073553 270.314635 7.255725
O-heptanoylcarnitine 273.19292 274.20018 3.918
Oleamide 281.270892 314.304358 11.6466
OLEOYL TYROSINE 445.31743 446.3247 4.069
Oleoylethanolamide 325.29686 336.97959 5.776
Ormosanine 317.2836657 318.2909407 7.5375
Oxibendazole 249.11036 250.11763 1.255
Oxomemazine 330.13921 331.14644 0.939
PALGLY 313.26092 314.26819 12.426
Palmitoyl Serinol 329.292085 312.288795 2.476
Panobinostat 349.1783 473.9060633 0.905333333
Pantothenicacid(VitaminB5) 219.1100875 244.137005 1.21225
Paspalinine 433.2260767 434.2333967 4.407666667
PEG-4 194.1148491 198.3467308 6.761150943
Pent-1-ene 70.07839286 97.80487714 3.705595238
Pentahomoserine 133.07362 150.093885 12.756
Petromyzonol24-sulfate 474.26577 475.27238 1.879
PF-04965842 323.1427467 324.1500183 8.249666667
Phenelzine 136.09975 157.12333 9.65475
Phenethylamine 121.08851 122.096 3.893
Phenmetrazine 177.114932 183.927516 10.5441
Phentermine 149.11998 150.127345 13.573
Pifithrin-? 268.10253 269.1098 1.138
Pinidine 139.1357694 142.4893228 11.5931875
Piperazine 86.08465784 87.09198627 7.753333333
Piperidine 85.08941405 88.00304607 6.96252381
PM-Toxin A 584.4301 663.45107 1.631
Pregabalin 159.1260843 231.6168729 6.405642857
prolintane 217.18248 218.189765 1.9555
Propylhexedrine 155.1670657 156.1743587 9.316521739
Pumiliotoxin 251D 251.22388 252.23125 14.543
Pyridine 79.04253 86.860524 11.5136
Pyrimidine 80.03776444 81.04504889 7.037444444
Pyrrolidine 71.07365267 101.2364073 9.129333333
Quinoxaline 130.05278 131.06016 1.097
RH0365500 159.12618 160.1329 2.24
Rilmenidine 180.1257 181.1329333 6.3755
sedamine 219.161585 220.16889 7.445
Selsun 111.88841 112.89568 5.23
Solasodine 413.32809 414.33576 1.278
solenopsin 253.27597 258.858405 6.909
Spermine 202.215195 203.222465 5.298
Sphinganine;2-Amion-1_3-octadecanediol 301.29701 302.30426 3.657
spirilloxanthin 596.45914 597.46642 1.45
spironolactone 416.20058 417.20786 0.463
Stachydrine 143.0945825 234.62737 8.243
SteroidO-sulfate 336.13801 337.14529 14.2025
Stiripentol 234.12563 235.1329 4.381
Sulfate 97.96764 140.00127 4.699
Talampanel 337.141515 338.14879 1.214
Taurocholate 515.29308 516.30035 1.633
Templetine 317.28364 318.290915 6.7615
Terminaline 363.312715 355.31465 1.3895
Tetramethylurea 116.09431 117.10205 14.1175
THREONIC ACID, L- 136.03794 137.04525 2.713
Thymidine 242.09134 243.09862 5.34
TO0110000 99.06823 132.10172 5.011
TO0127900 155.130641 159.340621 10.1726
Tocainide 192.12595 193.1331625 13.3811875
Tolperisone 245.179055 246.18633 4.3075
Tramadol 263.1877067 264.1950133 13.506
tranexamic acid 157.11062 255.651015 7.7525
trans-2-Dodecenoylcarnitine 341.25546 342.26274 2.537
Tridemorph 297.3021555 298.3094305 3.3091
TRILAURYLAMINE 521.5885467 522.5958267 9.539333333
Trimethylpyrazine 122.08423 155.11754 0.5325
Tris(hydroxymethyl)aminomethane 121.0737533 148.5858983 5.039666667
Tropinone 139.0993475 153.2415738 10.991875
Tryptoline 172.0997348 173.1069727 3.039090909
tuaminoheptane 115.1360803 123.5776131 7.1496
TX1575000 143.166972 144.174446 13.8678
undecenal 168.151985 169.15957 0.6365
UNII:6S7S02945H 211.193049 225.0108233 7.304933333
UQ3675000 94.05341 95.0607 3
US4056000 135.1045329 145.8413014 2.391428571
UX9465930 95.07328 113.10711 4.047
Valeroidine 241.16763 524.36911 4.139
valpromide 143.130702 144.137949 9.9032
WLH 436.22716 437.2344367 1.633666667
Yellow OB 261.12625 403.6878975 1.43225
Z-Arg-Arg 464.2523 465.25958 14.534
Zizyphine A 611.3693133 612.3765867 0.657
METABOLITES_END
#END