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-011-r001	philic-11nov15-011-r002	philic-11nov15-012-r001	philic-11nov15-012-r002	philic-11nov15-013-r001	philic-11nov15-013-r002	philic-11nov15-014-r001	philic-11nov15-014-r002	philic-11nov15-015-r001	philic-11nov15-015-r002	philic-11nov15-016-r001	philic-11nov15-016-r002	philic-11nov15-017-r001	philic-11nov15-017-r002	philic-11nov15-018-r001	philic-11nov15-018-r002	philic-11nov15-019-r001	philic-11nov15-019-r002	philic-11nov15-020-r001	philic-11nov15-020-r002	philic-11nov15-021-r001	philic-11nov15-021-r002	philic-11nov15-022-r001	philic-11nov15-022-r002	philic-11nov15-023-r001	philic-11nov15-023-r002	philic-11nov15-024-r001	philic-11nov15-024-r002	philic-11nov15-025-r001	philic-11nov15-025-r002	philic-11nov15-026-r001	philic-11nov15-026-r002	philic-11nov15-027-r001	philic-11nov15-027-r002	philic-11nov15-028-r001	philic-11nov15-028-r002	philic-18nov15-001-r001	philic-18nov15-001-r002	philic-18nov15-002-r001	philic-18nov15-002-r002	philic-18nov15-003-r001	philic-18nov15-003-r002	philic-18nov15-004-r001	philic-18nov15-004-r002	philic-18nov15-005-r001	philic-18nov15-005-r002	philic-18nov15-006-r001	philic-18nov15-006-r002	philic-18nov15-007-r001	philic-18nov15-007-r002	philic-18nov15-008-r001	philic-18nov15-008-r002	philic-18nov15-009-r001	philic-18nov15-009-r002	philic-18nov15-010-r001	philic-18nov15-010-r002	philic-18nov15-011-r001	philic-18nov15-011-r002	philic-18nov15-012-r001	philic-18nov15-012-r002	philic-18nov15-013-r001	philic-18nov15-013-r002	philic-18nov15-014-r001	philic-18nov15-014-r002	philic-18nov15-015-r001	philic-18nov15-015-r002	philic-18nov15-016-r001	philic-18nov15-016-r002	philic-18nov15-017-r001	philic-18nov15-017-r002	philic-18nov15-018-r001	philic-18nov15-018-r002	philic-18nov15-019-r001	philic-18nov15-019-r002	philic-18nov15-020-r001	philic-18nov15-020-r002	philic-18nov15-021-r001	philic-18nov15-021-r002	philic-18nov15-022-r001	philic-18nov15-022-r002	philic-18nov15-023-r001	philic-18nov15-023-r002	philic-18nov15-024-r001	philic-18nov15-024-r002	philic-18nov15-025-r001	philic-18nov15-025-r002	philic-24nov15-001-r001	philic-24nov15-001-r002	philic-24nov15-002-r001	philic-24nov15-002-r002	philic-24nov15-003-r001	philic-24nov15-003-r002	philic-24nov15-004-r001	philic-24nov15-004-r002	philic-24nov15-005-r001	philic-24nov15-005-r002	philic-24nov15-006-r001	philic-24nov15-006-r002	philic-24nov15-007-r001	philic-24nov15-007-r002	philic-24nov15-008-r001	philic-24nov15-008-r002	philic-24nov15-009-r001	philic-24nov15-009-r002	philic-24nov15-010-r001	philic-24nov15-010-r002	philic-24nov15-011-r001	philic-24nov15-011-r002	philic-24nov15-012-r001	philic-24nov15-012-r002	philic-24nov15-013-r001	philic-24nov15-013-r002	philic-24nov15-014-r001	philic-24nov15-014-r002	philic-24nov15-015-r001	philic-24nov15-015-r002	philic-24nov15-016-r001	philic-24nov15-016-r002	philic-24nov15-017-r001	philic-24nov15-017-r002	philic-24nov15-018-r001	philic-24nov15-018-r002	philic-24nov15-019-r001	philic-24nov15-019-r002	philic-24nov15-020-r001	philic-24nov15-020-r002	philic-24nov15-021-r001	philic-24nov15-021-r002	philic-24nov15-022-r001	philic-24nov15-022-r002	philic-24nov15-023-r001	philic-24nov15-023-r002	philic-30nov15-B001-r001	philic-30nov15-B001-r002	philic-30nov15-B002-r001	philic-30nov15-B002-r002	philic-30nov15-B003-r001	philic-30nov15-B003-r002	philic-30nov15-B004-r001	philic-30nov15-B004-r002	philic-30nov15-B005-r001	philic-30nov15-B005-r002	philic-30nov15-B006-r001	philic-30nov15-B006-r002	philic-30nov15-B007-r001	philic-30nov15-B007-r002	philic-30nov15-B008-r001	philic-30nov15-B008-r002	philic-30nov15-B009-r001	philic-30nov15-B009-r002	philic-30nov15-B010-r001	philic-30nov15-B010-r002	philic-30nov15-B011-r001	philic-30nov15-B011-r002	philic-30nov15-B012-r001	philic-30nov15-B012-r002	philic-30nov15-B013-r001	philic-30nov15-B013-r002	philic-30nov15-B014-r001	philic-30nov15-B014-r002	philic-30nov15-B015-r001	philic-30nov15-B015-r002	philic-30nov15-L001-r002	philic-30nov15-L002-r001	philic-30nov15-L003-r001	philic-30nov15-L003-r002	philic-30nov15-L004-r001	philic-30nov15-L004-r002	philic-30nov15-L005-r001	philic-30nov15-L005-r002	philic-30nov15-L006-r001	philic-30nov15-L006-r002	philic-30nov15-L007-r001	philic-30nov15-L007-r002	philic-30nov15-L008-r001	philic-30nov15-L008-r002	philic-30nov15-L009-r001	philic-30nov15-L009-r002	philic-30nov15-L010-r001	philic-30nov15-L010-r002	philic-30nov15-L011-r001	philic-30nov15-L011-r002	philic-30nov15-L012-r001	philic-30nov15-L012-r002	philic-30nov15-L013-r001	philic-30nov15-L013-r002	philic-30nov15-L014-r001	philic-30nov15-L014-r002	
Factors	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	

Embelin	1014008	976621	911569	902597	891160	908313	895641	858381	894142	912910	873098	877437	911539	894076	964962	960148	1043899	893901	933561	886263	868935	860328	835840	926462	962268	954766	908706	922327	885699	937969	961777	945756	912222	918228	941234	940608	916939	894391	891859	877431	886078	881075	893962	869481	950609	929285	902921	925876	915548	915019	956550	893479	978719	938607	906015	900103	981326	1013698	697611	740133	747015	767308	719623	724069	717865	720896	720786	708066	715174	737979	738606	727290	1053995	1038695	1054462	1049530	1061588	1054073	1066357	1047850	1079411	1025376	1028807	971837	967817	908924	907376	886709	901865	922747	931733	906182	749775	943316	962181	983874	1009468	988565	970860	987166	1040566	988696	1008742	1028146	1068283	991432	956503	942077	1027894	1033123	1051052	1029771	6.17E+07	1124326	982500	989765	973086	979015	999275	991216	1067735	1046850	979967	959134	1027958	1017561	1010305	1005154	1040654	1003735	970000	1016329	1020968	1004555	992991	1005396	1012942	1030475	990785	1008230	1006800	1000890	1003732	977996	983850	1035919	972846	976802	989266	959969	988724	988135	1010234	1024978	1070096	1093569	968249	974252	1081599	1071053	1034015	1060245	1007887	980201	965960	956489	918227	927156	1023904	999528	1003229	998559	979426	965857	996976	994848	997218	961948	874324	838869	827641	815302	819372	828660	874547	845775	913404	921832	844107	825810	835473	834534	851597	821588	825256	798309	873146	887145	806790	844918	920160	852718	862020	883650	830891	835020	862906	891461	855044	838732
C25 H46 N4 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1272827	1370223	1183863	1264594	1256553	1263537	1327565	1287181	1232032	1277807	1195468	1228033	1216270	1211401	3065054	2827813	2850653	2810702	2714361	2779932	2871298	2850174	2703485	2768850	2784900	2751184	2748637	2655234	2694919	2644324	2673060	2793148	2782555	2735029	2471633	3297056	3131492	3062368	3082359	3060855	3123144	3076557	3084636	2973667	3107804	3100229	3030366	3077980	3200393	3112423	3074975	3167912	3221542	3207152	4.00E+07	3329404	1274261	1297724	1272047	1281348	1301750	1297345	1349072	1353544	1319890	1327177	1286141	1281273	1354296	1287649	1317357	1313907	1305360	1318043	1320031	1271411	1240081	1263652	1314932	1295842	1298907	1284159	1292532	1328973	1286941	1275685	1318482	1307724	1328113	1299404	1293115	1308195	1324417	1281794	1240148	1260838	1266932	1254560	1314651	1265488	1240988	1272070	1266505	1281625	1272097	1287328	5149707	5143435	5250493	5050669	5265797	5312768	5329129	5221270	4929331	5045709	5180939	5293645	5370740	5488557	3658370	3522619	3489383	3355660	3387570	3340704	3400586	3486437	3417078	3442459	3414014	3307199	3482521	3456224	3452746	3466147	3503365	3399068	3539719	3391391	3398084	3459900	3276751	3416088	3423471	3348076	3359964	3395212	3609632	3577910	3519326	3425000
L-Tyrosine methyl ester	834644	838325	849067	864332	839939	834431	811846	792943	814590	796089	790190	800839	797211	820699	835394	826520	856211	830086	832190	809249	851391	825369	843030	846340	888169	903748	867874	884922	847690	873232	848413	871423	881436	910054	880593	871414	878741	859184	894157	894679	887590	892261	873231	877001	917247	931544	924247	907812	925672	914021	1080273	1094090	1129006	1075747	1088920	1065392	1134682	1133273	1159990	1163498	1135080	1163634	1153032	1163985	1189915	1188955	1214476	1180568	1184578	1211540	1197078	1194152	216084	206335	196049	197486	194505	206015	200701	209967	219163	215530	222023	210577	206010	216801	216098	222865	224789	242232	245208	251989	385731	547668	575209	589026	603612	602897	595389	621242	637216	629234	659220	659434	668381	669518	674523	661707	683272	688513	690379	672502	3.41E+07	845471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Inosine 5'-monophosphate (IMP)	1172740	1150780	1230350	1286486	573891	581576	1276204	1269119	1122637	1147507	864328	867046	1094022	1100408	1369766	1313481	1294082	1274532	1226150	1187909	760343	775722	1914026	1979224	1137508	1233588	1434337	1427888	1774232	1786884	600954	605652	821282	821010	565020	573422	648946	636647	929142	939685	983804	968603	469504	464897	765873	778351	980569	979699	194454	190963	253842	283123	1205961	1157702	194017	193492	1502914	1551433	4872177	4898854	7157003	7247330	1.45E+07	1.45E+07	5421741	5313446	7115666	7094734	5228618	5219326	1.93E+07	1.94E+07	2546826	2514994	5176565	5061936	4908502	4842128	7665104	7749808	1.47E+07	1.41E+07	7972437	8020526	5542505	5713978	2.24E+07	2.25E+07	1.79E+07	1.82E+07	1.71E+07	1.72E+07	3712827	4209674	2.09E+07	2.09E+07	1.06E+07	1.07E+07	5752256	5675495	1.35E+07	1.33E+07	8600165	8730601	8464543	8439729	4989125	4991211	3580960	3612023	4867011	4808804	9844666	9594153	96512	92499	1866998	1955288	730762	735031	1646752	1644638	440462	449644	1738924	1737055	2156134	2185628	2100149	2061928	626516	617187	1845300	1801100	199089	197041	779033	777288	1698076	1719420	2295516	2322700	1529065	1570420	278389	269355	1936305	1902987	798759	801895	2434445	2408222	647804	648521	555484	547145	458641	466920	1671320	1669120	2209069	2251977	441036	427854	575928	559323	185258	181154	119821	118345	45979	36959	256451	250583	239648	240819	194580	193368	422590	400532	282520	284226	283746	297929	238291	223800	543137	543824	248172	259413	383234	385373	210553	223144	436448	449902	478019	486445	523699	532619	252133	242747	42214	43049	63604	65698	131266	131601	211445	218780
Taurine	7273229	7343681	6976061	6988764	5417380	5318310	7237530	7248716	6848019	6957907	4988087	4894959	6074882	6159813	6427753	6300002	6836058	6656802	6205700	6073814	4630434	4676790	8423733	8688404	5955795	6436619	6291525	6287572	7494070	7689960	2498856	2500115	2929018	2877530	2649989	2570980	2280299	2277692	2833242	2869655	3516110	3606040	2482922	2585012	3545567	3554657	3214696	3283121	1789919	1818322	2672784	2655930	4005245	4024145	1096041	1098161	5360138	5503948	1.29E+07	1.29E+07	1.34E+07	1.33E+07	2.24E+07	2.26E+07	1.16E+07	1.14E+07	1.11E+07	1.12E+07	8004153	8029847	2.54E+07	2.57E+07	1.24E+07	1.19E+07	1.01E+07	9864673	1.17E+07	1.10E+07	1.34E+07	1.36E+07	2.20E+07	2.11E+07	1.84E+07	1.83E+07	7496157	7704028	2.86E+07	2.87E+07	2.37E+07	2.46E+07	2.23E+07	2.25E+07	1.41E+07	1.51E+07	2.74E+07	2.75E+07	2.31E+07	2.32E+07	1.27E+07	1.28E+07	2.11E+07	2.11E+07	1.63E+07	1.65E+07	1.51E+07	1.51E+07	7621793	7724448	1.52E+07	1.54E+07	1.45E+07	1.43E+07	1.82E+07	1.75E+07	6088051	5993540	4967781	4928941	6482982	6549326	5847853	5814177	3533521	3519838	6081954	6075858	6278590	6213704	7149842	7109002	5706368	5724961	7342973	7487660	6943629	7010333	5907474	5922863	6452752	6461212	6597600	6603951	6513298	6553162	4785125	4806671	5599941	5483987	3486906	3534311	6126805	6103484	4669013	4748337	8617796	8807660	3845077	3914400	9377683	9347601	7663412	7476346	4425048	4502207	2215711	2234398	2165819	2105133	3274931	3300832	1885142	1882553	5728627	5807461	2634730	2684021	4187686	4164295	2433882	2340547	3009951	2993584	1761332	1770666	5728981	5630219	7906486	7908496	2668110	2718745	5617860	5496628	6561720	6512255	2456818	2473566	6200793	6189940	2365795	2382587	5376092	5330738	2454669	2467773	5200182	5174799	6350244	6348569	5985796	5932628
?-lactic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6293656	6256357	7869912	8140000	1.59E+07	1.63E+07	5211726	5241829	7708630	7642583	6750911	6386825	2.50E+07	2.56E+07	4137811	3953820	5497397	5180599	3914063	3877784	5634773	5880505	1.55E+07	1.42E+07	1.29E+07	1.38E+07	5136128	5206209	2.26E+07	2.22E+07	1.56E+07	1.71E+07	1.87E+07	2.01E+07	6202303	6714079	2.04E+07	1.95E+07	1.66E+07	1.67E+07	7228005	6837265	1.58E+07	1.55E+07	7914962	8092849	1.11E+07	1.08E+07	5130401	4858096	8226436	8438690	7421014	7219134	1.25E+07	1.21E+07	1.07E+07	1.05E+07	9472626	9596192	1.22E+07	1.19E+07	1.27E+07	1.28E+07	7848944	8005710	1.14E+07	1.14E+07	1.06E+07	1.07E+07	1.28E+07	1.27E+07	1.22E+07	1.20E+07	1.37E+07	1.37E+07	1.18E+07	1.18E+07	1.25E+07	1.29E+07	1.27E+07	1.30E+07	1.21E+07	1.23E+07	1.25E+07	1.24E+07	1.00E+07	9750027	9493794	9430256	6997583	6936211	1.17E+07	1.15E+07	8726414	8560594	1.23E+07	1.21E+07	7689318	7808611	1.57E+07	1.54E+07	1.31E+07	1.29E+07	8779030	8999989	1399298	1426425	1326873	1333288	1127787	1148425	797995	781803	3643229	3753291	1933430	1982404	1644638	1640944	1241095	1221634	2310259	2318007	724198	734001	3107002	3105481	5295447	5375297	1652434	1656788	3364812	3250772	4163965	4185842	1249548	1236525	3116699	3127035	1367579	1386912	3130501	3069238	1132131	1116697	2764035	2745654	3505030	3454686	2400617	2305092
MID42250:(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-tri	1	1	1	1	1	1	23211	1	1	1	1	1	29950	1	126499	1	1	1	1	46910	1	33565	1	1	1	1	1	1	82418	1	35024	1	1	1	1	1	1	26956	59620	1	1	1	1	1	1	1	1	1	1	91142	1	1	1	1	1	1	1	1	928232	1021108	882222	932054	931967	937915	971954	944811	928330	929556	902777	881856	937848	898520	2369338	2161028	2178951	2119464	2057223	2094420	2103465	2117438	1948850	2043319	2061656	2018999	1955095	1959475	1950361	1932452	1927710	1982458	1991252	1981929	1615521	2256244	2228888	2137191	2228655	2186902	2206957	2236869	2201063	2187766	2179681	2195393	2168600	2162164	2277535	2189446	2188723	2198904	2284858	2224827	2.02E+07	2419870	800810	792420	804824	792851	815795	816361	834566	819419	815071	826044	809696	817507	846852	827065	834915	820411	783555	833235	823787	792367	776836	789001	780160	807166	773047	777204	816534	797800	786490	781226	803862	741867	801801	751496	780141	824480	811644	788018	768682	828807	804441	806138	829367	828028	807579	796244	799033	848814	799623	832665	3721215	3696420	3679094	3640882	3598078	3733224	3779528	3695996	3843842	3811300	3695426	3657044	3807991	3756143	2502632	2386324	2305411	2284143	2301530	2321157	2351513	2395773	2300530	2380643	2291772	2286722	2333860	2383726	2364808	2374526	2282331	2278294	2284773	2366400	2288402	2365182	2182256	2354303	2332677	2309424	2314355	2309836	2457671	2397844	2475462	2396562
C33 H59 N2 O8	595809	611082	683128	662412	707981	676369	590923	634641	610682	621938	657085	635982	572373	565764	556308	558061	464889	535456	528445	539268	626806	638802	643017	673527	792838	799939	751691	777329	718546	765188	750159	737384	748331	748590	863297	882369	785517	756949	745080	750679	754502	742311	753229	752442	706779	720545	734246	766871	792053	843432	953970	924845	883480	887455	900918	882918	796225	788697	576755	609366	570615	575920	590023	573906	607189	586232	589459	602090	555896	573715	552587	545036	1237336	1246302	1262906	1314152	1257730	1292225	1372184	1381728	1175407	1311708	1345209	1310159	1330217	1296424	1220799	1272722	1288872	1335242	1345188	1361890	949413	1284213	1242560	1344905	1362684	1467784	1492844	1476312	1504480	1454090	1564386	1531840	1495271	1556561	1584350	1589710	1519557	1509643	1579945	1545091	2.08E+07	1774904	607762	620018	637958	646666	575405	612097	641096	640971	634672	657153	584355	607107	645122	654050	654011	641166	659538	616485	605893	616816	581329	581668	617866	616131	620252	620806	626662	619781	611591	617297	633481	625094	657812	632498	653595	684223	649545	609019	624547	635204	587039	592648	647700	652566	590731	587019	605524	600756	620505	611746	2805485	2783419	2746549	2837613	2673430	2691992	2707758	2699124	2136630	2143635	2646507	2653986	2802947	2764945	2454629	2179260	2000090	1881526	1936529	1884466	1785367	1761769	1644045	1675417	1752113	1698406	1765042	1692031	1708096	1753994	1772909	1731109	1756172	1742342	1835523	1785265	1558881	1653499	1700374	1657170	1726703	1769262	1776176	1669925	1539182	1532979
Allopurinol-1-ribonucleoside	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5879826	5858868	2913816	2841546	2194230	2661690	2510497	2492624	1886026	1898833	1596850	1573885	1.40E+07	1.42E+07	3741544	3538837	2591782	2546927	3695472	3670260	2595731	2613943	8157495	3455567	1.39E+07	1.41E+07	486559	491747	1.47E+07	1.51E+07	4453734	5015975	5174727	5315831	1	1718196	7685239	7604752	1.75E+07	1.74E+07	2946980	2953969	7247683	7108426	3200369	3317932	3336994	3301125	901424	890141	8932717	8973197	6647598	6463761	4074353	3958315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-(Pyrazol-1-yl)-L-alanine	1435723	1437932	728482	747769	260954	264434	998209	1005968	594277	656342	376379	369539	701932	695157	827583	769328	1223036	1178831	882489	866328	440254	454387	1122515	1112887	427851	481896	1093419	1096470	1337048	1342288	62954	62875	104068	106728	78653	71103	76758	74660	130412	122069	80302	84182	65953	69677	84017	72982	124449	118281	28880	28082	65487	66801	173454	169527	26435	31934	158328	148562	4340126	4292093	5045087	4912558	1.01E+07	1.01E+07	2287316	2256344	4004179	4006230	7122334	7137219	1.56E+07	1.58E+07	2989474	2849249	3251449	3161124	2339626	2847291	4830064	4829944	1.53E+07	1.46E+07	1.24E+07	1.23E+07	7947509	7868596	1.44E+07	1.43E+07	1.17E+07	1.20E+07	1.50E+07	1.49E+07	5827389	5809177	1.35E+07	1.37E+07	1.33E+07	1.36E+07	2771238	2788758	1.04E+07	1.05E+07	4452046	4503285	5742854	5685454	4736043	4829402	5880410	5931265	4755690	4738619	6468015	6266075	362240	393795	433240	429730	311731	317146	611055	639644	193325	197644	427945	434818	524447	533796	469367	460467	360509	358911	560296	530118	429588	430367	413881	403410	750542	687073	444487	432649	691867	626418	352165	355595	469204	449539	225290	234400	373141	370508	248757	248759	517941	535616	221188	229857	605903	566776	516338	474547	238406	239882	330896	335912	194682	185666	178876	182613	123994	116335	762084	745146	281780	276467	302422	303607	285530	276218	383104	388086	193629	195140	586924	534527	1085340	1046960	365742	369460	641067	549231	665577	679471	308564	314185	658427	582978	196262	189370	672740	650547	156355	151010	509646	520305	638852	589279	684825	626515
C13 H17 O4	62254	63774	57117	63259	62260	59176	60418	56497	55194	57544	52468	54977	62373	56369	67112	65711	68116	62125	60232	55261	60889	59596	59698	62380	67170	65404	65195	64850	60723	64776	68853	65900	61788	68015	63831	62674	60453	63523	67639	54695	59802	62555	60040	66105	68909	68861	62678	67559	67260	54647	66338	63180	72615	70150	67901	66640	68238	72387	51437	49431	48766	52424	46382	47944	48283	47675	49285	43234	47573	47856	48496	50929	69211	69064	73815	63885	64150	70547	66827	68583	68399	69323	67344	63235	55459	62484	58735	56676	58561	56029	57660	52278	51515	65104	68541	65980	68563	63550	66996	70310	68711	65694	69699	70076	72056	69718	71166	67387	65801	71629	75099	73313	1.34E+07	79071	67749	72382	61346	64418	67292	68438	70794	77805	64132	68936	69853	72588	67279	64743	73024	62293	65524	66080	63888	64043	69041	70869	74657	68767	74687	71479	74908	68773	70681	73101	70170	74497	77032	73143	70199	67902	69496	74426	74219	74012	78084	81556	68265	70805	78589	73024	77344	71631	73634	70268	67598	62569	67935	61686	70863	65725	69389	71355	65913	64484	67549	68763	67899	65526	63251	56826	57317	62758	58559	58945	57269	63509	65090	61815	57191	60888	54205	61441	57178	57136	59391	55498	57511	62163	60732	60479	64650	62364	61356	63239	57863	59782	60500	62330	62798	59170
C19 H45 N20 O3	564791	582299	630262	617194	618351	606315	546400	574274	583297	572844	595130	569308	539878	519723	510472	513224	449851	520722	495101	517003	567266	584280	573900	614458	691208	712152	698423	704998	652351	677156	680497	666882	677002	688652	782093	817068	694753	689314	686247	691995	682374	681080	676691	681929	650792	669542	682260	707547	722382	735480	802478	803323	773958	771615	768394	767723	745224	712453	572820	594143	542419	559679	569308	565844	577405	580274	561641	582980	540697	537501	549425	538241	1181552	1173765	1207437	1234096	1211295	1223217	1253743	1257098	1150811	1266779	1295841	1240473	1243720	1252486	1203060	1226229	1210693	1220867	1256301	1259017	827581	1147229	1176656	1259098	1265538	1315109	1353929	1348509	1354406	1337643	1365961	1371048	1364993	1380567	1410611	1408498	1376287	1385940	1420155	1390859	1.56E+07	1581169	510319	495942	527340	529637	480197	510038	534017	524610	523691	525692	505719	512231	523786	532267	514571	512257	532252	507404	511341	514179	492902	500959	514725	523048	500970	503859	521506	520198	508472	512207	521954	508472	526218	522161	543189	543280	526438	506191	504340	526149	489028	495354	541262	527130	487089	490812	511737	511494	519412	510994	2542258	2532609	2485761	2508272	2457095	2461293	2507661	2546449	2499822	2500242	2461275	2447151	2596430	2553378	2286403	2031901	1873665	1779440	1718591	1714280	1681949	1651263	1584444	1595596	1575712	1609532	1619403	1608630	1633447	1676291	1636252	1607601	1639234	1638857	1652895	1617785	1538934	1608283	1614775	1557648	1604753	1629788	1674868	1636960	1585079	1561869
C17 H20 N2 O8	1090684	1130087	1433798	1439687	650356	619318	371913	365434	1034660	1022461	603308	608840	593298	600257	577240	587822	659576	704230	530239	558621	754133	840667	478435	519591	276136	296181	778271	769094	470318	484058	1	1	19728	22042	213579	216896	41706	35509	238688	244421	42557	44432	27734	25539	1	1	173318	186647	17087	14252	47650	52051	279095	281031	25814	25228	136677	138772	1424726	1624602	1286397	1284074	4143413	4190106	597271	582970	1613404	1597056	1535210	1527641	3665485	3505866	1052864	1044154	1145699	1137313	491611	497440	1148305	1137521	6450379	6614059	5023241	5005594	1782959	1759128	3732951	3820378	1.18E+07	1.21E+07	4550897	4558420	2025070	2233306	4696552	4548627	4286528	4349321	2224764	2157090	6242737	5993270	4917902	4843644	3377283	3331631	2632293	2509371	1310504	1317542	5180242	5127132	3521104	4065416	8533	9149	1	1	1	1	1	1	1	1	7603	1	1	1	1	1	1	1	1	1	13937	13007	18288	21167	10888	11611	1	1	14157	13851	12382	12687	1	1	1	1	1	1	10010	10027	1	1	1	1	1	1	1	1	1	1	107974	102673	503391	511801	1	1	1	1	125887	134132	399612	397419	274135	286085	316211	308654	790873	789927	299566	304692	579783	567229	141097	137695	460169	444546	142742	141683	346345	346044	1200725	1205851	345565	334365	313842	312084	237122	246436	14237	15600	256402	256810	462674	451551	307156	313252
?-lactic acid null 0.915454	1	23560	1	1	30642	1	1	1	43232	1	1	1	34567	1	1	1	1	1	40381	1	1	37484	1	1	1	1	1	1	1	1	155099	113717	203895	189873	135657	154588	127936	100520	212139	219174	100339	124488	99174	137235	152255	133201	237548	216436	47435	51876	49168	53105	244010	229701	59434	44722	183035	195778	760149	785456	667054	608480	1033531	1006906	878106	828728	752138	739827	693461	705417	1303413	1304416	1013096	881471	789696	803888	958518	805278	924372	971658	1538860	1419588	1278109	1329860	764885	678336	1529028	1551216	1488369	1549962	1337488	1294193	498081	602111	1208149	1220000	1553313	1542071	1202779	1210868	1888337	1884051	779244	959443	1474904	1470018	587212	539452	1292350	1295391	1323109	1175650	1400899	1398716	45766	50890	21632	60137	65052	61690	22874	20802	32060	29001	20758	7798	16264	97491	34337	26891	24588	27493	21535	14650	27260	22445	13601	18438	16324	16317	34308	1	40632	34099	39361	16428	12514	10691	85084	83096	38012	33709	34197	19437	35686	42679	43804	55832	70937	58769	18755	19686	77417	83422	109324	117696	128434	139330	141635	149759	69425	66492	317833	303255	159167	148713	56832	60517	107198	102220	256596	241260	92999	21944	68492	74780	321334	289659	148151	165743	90187	78954	289123	78507	107269	112562	287376	288496	126372	106436	237035	64174	109058	41330	45163	71337	13605	99235	286735	251919
Alanine	5973934	5872626	6376620	6234560	4079124	3767934	6446145	6406734	5892316	6199872	4659452	4635816	5197324	5336351	4756661	4744595	5891318	5957351	5220121	5067128	3217827	3169206	6390585	6557719	4406687	4684809	4725587	4753901	5865037	5951617	96833	99261	125614	125569	137010	132752	93412	107219	85522	84210	120641	116251	114022	117139	159087	159265	100874	100094	73004	70056	44385	48238	147103	138828	46083	48644	147350	138811	6104258	6072363	6523180	6493523	9720928	9820470	5521456	5431674	5786171	5872982	5263748	5285887	1.36E+07	1.36E+07	4531614	4378372	4789702	4770546	5290719	5365854	6968535	6944508	1.12E+07	1.08E+07	9704512	9709225	5083276	5108662	1.30E+07	1.30E+07	1.11E+07	1.15E+07	1.14E+07	1.15E+07	5456823	5252266	1.18E+07	1.18E+07	1.08E+07	1.08E+07	5003358	5118078	9363605	9394712	6881395	7008935	7040294	6980543	3921210	3994551	6408726	6578827	6172342	6184355	8297353	8153980	872274	845880	841449	826016	953243	970041	1247762	1271403	497455	491909	1248028	1293496	1031267	1028602	1310963	1306326	901319	923427	1339445	1346453	1099306	1115648	1024283	1055138	1167654	1177748	1384668	1357416	1157371	1171538	793906	838418	838809	813441	597438	583050	1244748	1225454	666264	659851	1121075	1107037	558670	570201	1462386	1482566	1528109	1520003	672887	666042	472849	464777	443227	438936	380427	382446	312225	309997	1053745	1028569	415317	418830	703718	692975	370769	361915	519553	522107	261390	262912	777677	743781	1614106	1566170	480431	495263	725904	734282	1107211	1097452	402570	406954	902155	905458	290764	299555	743830	737047	457843	451701	642845	657422	779907	825443	922877	889422
967.008@0.68811125	8334568	1	1	1	6599634	1	4087728	1	1	3951784	1	3124384	4987352	1	3110651	5842887	3462900	1	3635577	1	1	4653896	2569092	2651777	3007073	1792300	1	3056015	1	1063069	1	2320747	1	2860375	3094227	3527074	1	3555304	2985557	3063325	1	3415892	3792514	2679695	1	1760172	1	1251010	1	1018401	1	1	2040697	1	2138739	107017	1	2247157	1	1	2696819	4113247	3224157	5781343	4429207	1	1	1	4792848	1	1	1	2084877	3108676	227997	3267789	1773337	2968091	3048610	1877535	1	2870893	2791406	834834	2093596	2725825	3116038	3151449	1.73E+07	1	1	3238598	44345	1	1191496	1157870	949480	1208949	1591441	1497522	1459228	1	1664321	1	1446745	1	2816652	1040910	1075375	1	1	1	2092447	1	1	1613916	1752490	1	1	1	1031578	1	1	1	260909	1	1	1	1	1	1	1	1	1	1486120	1	1	1	1	1	1228071	1	1413656	1	1	1	1	1	1	1	1	1315591	1353934	1	1	1	1	1	1	1	1	1	1	1115428	1	1240194	1	1	1	1	1	1597669	1	1538803	1	1611006	1	1	1	1636058	1	1	1	1	1	1	1	1	1	1408146	1	1452501	101513	1	1	1	1021203	1	1714321	1514365	1	1	1	1	1	1	1525122	1	1	1
5?-Cyprinolsulfate	8867468	9220595	2521162	2575263	1164355	1137980	4668951	4551355	1.13E+07	1.06E+07	2948824	2954219	5650735	5573024	6144297	6271497	4298799	4179358	4879970	4914103	4535571	4592388	4817792	5139945	3578027	3613587	1.99E+07	2.00E+07	7394829	7787126	1.61E+07	1.59E+07	9662121	9667568	2.36E+07	2.35E+07	2.35E+07	2.31E+07	47765	49372	2.36E+07	2.34E+07	1.01E+07	1.00E+07	64996	69682	1.72E+07	1.78E+07	4864039	5011537	2436643	2673027	2.40E+07	2.40E+07	2134380	2081852	14982	7669379	2130983	2257542	2913076	2987564	2315017	2350043	4150189	4069270	1635713	1642056	303735	310400	5099629	5004458	5248158	5139798	1614353	1609711	6224615	6251598	5561929	5500073	1213383	1189835	1647978	1585263	696801	685543	3546006	3637085	4833294	4979783	1867612	1887925	1185638	1384418	4593852	4589566	4215400	4251874	6132221	6113814	1.06E+07	1.05E+07	6625757	6564191	2437771	2455394	238401	239080	3907913	3965232	3513352	3439456	2737988	2983955	239069	242405	151180	161161	269460	277806	118314	112532	460697	451106	295588	299482	160733	158894	1167334	1187569	258673	257657	270909	267559	447333	446789	648299	651549	161252	166485	463403	473737	704161	716422	1156964	1174215	342313	343987	3268546	3261850	1865934	1826599	1116917	1110919	898984	889628	2261890	2266249	501415	498907	150494	146424	3384788	3373037	2787221	2742781	1326194	1336224	1294605	1294502	5215409	5152811	2439363	2466904	1043350	1048127	2947974	2936759	986457	962647	890812	877836	2286815	2285661	1887296	1900912	2090855	2068735	796720	781538	1510324	1480054	1224927	1216412	1570612	1585028	1206896	1210048	916609	907915	1503045	1484904	1293998	1294696	920166	943001	1915580	1896879	1107564	1106830
268.0808@2.6356907	1034443	1041877	790040	818677	572032	609155	817381	809478	1010457	974018	465928	484996	633193	589913	447860	453562	952223	967735	564473	574049	441373	452638	375259	404068	443094	493692	622252	656914	843925	880985	51592	47152	83908	84244	122705	126383	54844	52829	77456	80357	98258	95084	45933	46336	49875	48978	44892	45481	42561	47328	1	1	103057	101331	20522	18215	84651	94933	1	1	1048155	1	1	1	1	1	1	1	1	1	1	1	1	1	960735	922711	1359370	1351587	924469	910064	2562464	2487649	4768370	4491119	454406	455601	5056571	5098039	3154932	3162919	3425381	3447073	1	797876	2842021	2849718	5851396	5709280	1109337	1106207	2511689	2572606	1229296	1232728	1313247	1302349	331948	338156	3272708	3294833	2373365	2296717	1	1538140	912357	937556	345853	349329	815537	831839	565332	558889	449294	442050	538260	548559	331547	331781	399605	394346	784594	800165	558130	547902	1081162	1101517	809780	831392	582183	587278	505902	511572	583527	576409	871416	882145	289150	289130	445649	451987	335241	322852	644220	638828	1088333	1101427	464021	472574	1060024	1076528	483821	473475	577769	586426	129930	124759	202307	207054	400441	385878	284108	272415	846774	831673	272543	253832	617520	603188	188634	199271	468405	461789	152640	159232	850365	857370	1376453	1232644	343995	355822	845117	840285	1188743	1195070	199244	189789	919839	936319	138242	137454	967477	934397	417042	420694	795350	777267	1009218	1033214	1071379	1056932
Creatine	2833267	2769921	3089712	2967965	1811077	1680226	3301254	3375250	3141818	3057328	2269912	2146892	2479912	2532813	2167677	2126392	2856579	3018357	2585815	2630736	1495781	1513843	3469038	3568162	2218650	2384200	2481474	2490831	3183551	3306532	44404	48641	55138	61419	60569	57013	46881	40231	39573	37570	48517	49627	48002	50084	75155	69508	46647	46340	28090	29583	18733	19035	62762	65826	20366	21225	64398	65045	3140948	3119842	3448676	3476213	5530108	5539080	2684792	2629797	2867581	2875555	2520990	2532912	7921932	7809658	1978641	1954786	2205228	2221357	2534220	2500036	3528991	3663094	6479901	6373611	5472216	5553857	2600518	2616763	8076304	8126302	6842633	6979604	6927817	6920149	2730628	2906932	7364148	7278317	6366333	6513415	2672686	2630801	5261214	5202287	3782052	3723260	3606831	3662069	1946968	1914724	3264222	3285518	3103068	3135960	4349994	3999069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
207.9799@0.79106516	1961071	1791305	1530950	1614049	1473530	1503197	1218466	1194233	2036048	2049263	1641595	1681241	2082049	1622233	1062643	716251	3038161	1959788	1468200	1307531	1383344	1594996	595148	654658	1463106	1400220	991930	971547	722114	675404	4687712	4708429	4800355	4956775	4874925	4946952	5029758	5115733	2606681	2644219	3857073	3891270	4121479	4242787	1513277	1524369	2263155	2348540	5368425	5491122	3611812	3493237	3001551	2868067	7419275	7342802	5326886	5225925	3586508	3515359	2479254	2500315	3026107	2873082	2951365	2931328	3308616	3424377	2641936	2452297	2962146	2920433	2586014	2495116	4927900	4966503	4755618	4065518	1816723	1971267	689148	531494	2610921	2678769	2894415	3124984	3390803	3500263	2521365	2959411	3690210	3659148	1209738	2571124	4202742	4138998	3554537	3750816	4702465	4525147	4104435	3812664	3825243	3951836	4648278	4593796	6035836	6099649	3314522	3376273	4509923	4626838	4476526	5099576	4875303	4961047	5684164	5886037	5767081	5848867	6813213	6860308	6349681	6306537	2498734	5634225	4970992	4903893	3679659	3658899	5568193	5537209	3813959	3795644	4057250	4000443	6103432	6230054	4801699	4871396	5921441	5898296	4252108	4216668	6587916	6639595	4791706	4844304	6541072	6513373	5457053	5584904	5305066	5173561	1567883	1455639	5156182	5037481	4954630	4916776	2845108	3601844	3838476	4192445	1170160	1210478	1507955	1466100	1521368	1537331	2834811	2842027	1683741	1689984	2041963	1957540	1574726	1630306	1540261	1571639	1499240	1461022	1463380	1496050	1319844	1258335	2043658	2059926	1846456	1786506	1002406	992120	2804866	2797556	1429027	1451635	1838555	1753297	1473381	1511429	2376369	1800706	2427265	2445578	1438545	1441685	1188015	1340691	1269514	1274320
C4 H2 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7651438	6727787	6871294	5759647	4983276	5071275	1.23E+07	7204220	7231266	7344185	7168962	5602172	5741942	5689187	6678346	6462392	6306915	7428963	7596160	6466278	5722039	4619161	8085561	4035810	4268949	4564988	5701686	6950280	5178928	3965168	5239701	4686535	6270514	5827842	7067805	6565019	5458352	5561335	5435080	5739391	8325834	8281575	5964196	6346748	8153994	7949717	6612585	6602424	6905671	6890432	7326846	6654236	6691159	6695855	8940030	8052485	7704861	7647955	7561019	7779201	8093190	8374016	1.00E+07	7581645	8308095	8689706	1.02E+07	7389028	7298906	7834063	9048068	8581237	8839980	8012823	8465762	7482644	8166552	8155033	8283727	8058345	1.01E+07	8741341	1.02E+07	7644536	8073166	8602903	8536994	8870344	9372752	8843212	8849464	9099633	1.05E+07	7806019	7885151	8549178	9924655	7497651	8540320	8361957	8686024	9299793	8270828	1.04E+07	8268844	8881819	8670125	7919777	7452489	8033379	8092713	7307207	8272802	8207098	7826549	7098082	8165848	7599297	8437335	7522275	9096732	9020651	9426356	8071886	9160767	9205014	7816750	7759093	7417094	7507447	8850987	8737389	7813854	8603719	8346978	8546856	8735656	8818000	8784728	7642122	8897258	8928272	7720513	7747380	9652836	8705735	7827136	7850261	7659742	7693200	7815916	7746319
Allopurinol-1-ribonucleoside nullnullnull 1.5458727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5880423	5857241	2909878	2859352	3897344	3421623	2511241	2480439	1886026	1898833	1597114	1573885	1.39E+07	1.42E+07	1	1	2591782	2554279	3697806	3671315	2599312	2615616	3999663	4424556	1.39E+07	1.41E+07	843710	875618	1.47E+07	1.50E+07	5341628	5326895	6165342	6066739	1	1718575	7728236	7611251	1.75E+07	1.74E+07	2956928	2943306	7244164	7122005	3200371	3309688	3336098	3301125	901424	890141	8950934	8970516	6646902	6446382	4089212	3957874	1	1	1065168	1086184	2508367	375318	412802	481314	240498	260821	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1622902	1	1823428	1	1	1	1	1	1	1	1	380248	1	691415	774327	277857	246433	617267	724839	1	1	1	1	1	253477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H42 N6 O7	324829	335192	356843	321805	337509	310391	307642	305876	315142	309246	298316	306812	300255	295039	302360	302376	271913	288273	276819	285939	300362	309614	330360	351577	352799	349664	345041	363655	349025	356036	335180	348876	353942	350283	454693	450340	336591	344431	386427	364830	373777	359825	352514	356213	356132	370388	339375	374393	352609	365004	408463	385821	402906	387583	376347	371497	368158	362523	338092	373837	326110	349333	336673	329746	351744	342335	337001	329216	311715	311409	322968	311800	773080	724830	726761	713029	687845	713019	715062	705243	675750	707306	699883	695794	701424	674569	679139	668232	672428	679237	688974	702887	557788	753314	750161	740324	749923	711677	732294	748831	740489	734269	727691	740747	710499	723003	744848	735613	737936	751257	738827	758219	6955851	765257	282531	282531	286928	287573	287564	288098	293745	311630	285249	293456	293522	273371	292706	307299	281611	286839	289325	290477	295418	283913	286586	292720	287365	273699	288794	287278	287663	292137	285362	270125	282025	274497	276167	272153	281481	292514	285954	283435	267360	281019	272567	278387	275722	282758	270015	262816	273633	286180	279515	283509	1209247	1202984	1228753	1193980	1194198	1222587	1229397	1207332	1235873	1204176	1180085	1212709	1234796	1222693	842236	798714	820800	759550	772019	786681	780855	838869	795440	807782	793533	748342	820365	803213	812803	819702	830110	788771	815559	796804	765867	796311	766936	787361	749224	775736	778081	829123	821261	814245	813326	840511
Trinexapac-ethyl	144131	140871	148821	146452	147756	143918	134991	144107	130774	149105	138299	135234	130046	132567	125977	143679	135056	141566	122853	133030	138175	133362	141874	142778	135480	146019	139926	135868	138351	145388	153386	147236	153582	147806	142244	152746	139685	142189	143496	147992	140212	144108	133167	149477	142180	140655	147631	138749	145537	127953	147774	134626	135946	131926	140019	127870	120982	131314	66634	68041	74112	64110	66749	64794	67139	69156	69193	71376	62125	60451	68855	62122	157463	162077	157596	141457	149740	145233	143429	140909	122942	139531	134576	142277	141151	137761	137787	144431	139378	146065	154547	139358	116052	146038	137683	147962	135295	144875	135955	135487	136965	126979	144960	153205	134530	142639	147856	149075	137397	141214	141680	149281	7038458	157888	160251	175136	167886	165803	164862	161948	160876	158684	173287	178202	156538	154499	160299	162749	170314	164702	158681	158694	167912	156980	157268	145025	162011	159653	161522	151153	119712	106114	135501	136527	167714	149778	153637	157357	165222	165462	120144	125595	162141	156416	165221	158626	178242	162147	147942	165688	145196	141521	182150	160837	157802	147545	156883	151690	154052	164230	154847	157074	157125	150121	156978	148295	144213	156519	91850	85257	84164	68127	90990	99093	103070	99005	96877	96082	92493	92173	100568	99131	94952	90781	95520	98623	88370	101605	91304	96758	85136	98178	85076	88115	91934	86768	92906	90051	90392	95218
Aniracetam	1.13E+07	1.17E+07	1.20E+07	1.26E+07	5851889	5704700	1.20E+07	1.15E+07	1.09E+07	9781876	7032557	7008207	1.08E+07	1.03E+07	8612179	8813718	1.20E+07	1.20E+07	1.00E+07	9953470	5099892	5379233	1.44E+07	1.54E+07	6051365	6249120	8738216	8734540	1.12E+07	1.20E+07	71636	70180	119449	125569	59451	63168	87126	84303	136657	133659	138928	140435	74067	73224	82164	75052	145414	142029	13547	14175	42167	43509	288404	290972	22102	20925	301388	307431	652155	676030	1235455	1264814	629249	631914	535208	530637	429629	422731	738428	742037	2364192	2332602	1042958	1008393	926162	924994	785792	772722	2746215	2683592	5946941	5934443	6027920	5921656	1320122	1251039	4346478	4283854	3189173	3405331	2582891	2627335	1789870	2094615	5706528	5592722	6729746	6917675	2032712	2035156	6774761	6425998	3255332	3209129	3913124	3891281	1567847	1562678	3183392	3206338	3578754	3619539	4698393	3915531	448013	451812	498929	503524	711259	731761	730186	741129	111262	111974	623381	634644	544373	562701	509834	519699	275911	272411	786714	800373	604228	610400	428779	433316	658580	685451	506817	521388	657533	673779	512904	512595	450578	446700	258075	268874	549670	564797	361082	362114	1205381	1211136	207938	209003	1181884	1177942	518454	518354	266022	274247	57961	63624	128683	126117	210836	210046	49645	48167	588992	596855	75445	76678	559722	569689	63784	62850	106828	105856	80496	81653	996025	979307	781321	775024	211914	213484	249322	251289	470113	486265	288708	287697	591308	598076	45043	48818	658757	652778	86164	93093	251630	262805	180732	190022	726768	724794
3-o-Ethyl-L-ascorbic acid	2033704	2056052	2028553	2077415	1578721	1502461	1874965	1835059	2257786	2386055	1337983	1335056	1544355	1546611	1633433	1558554	1363146	1348836	1894340	1834284	1356976	1418745	2895705	2988326	1775169	1887818	2221161	2255087	2366512	2349234	34245	33291	78146	80188	522187	523082	81032	77341	576892	570978	164808	167779	55132	49284	40966	42116	441068	456201	62873	61039	92458	99507	690847	680335	39257	32656	546856	528742	1080444	1015386	1845914	1804687	6938948	6828269	695038	674219	971187	955987	1180674	1157437	3278143	3260059	467931	402889	1437477	1394710	457225	432420	1354082	1373802	4962311	4724443	3683035	3740257	1029923	1042810	5664839	5648328	4791004	5042452	3819462	3834981	1635359	1056478	5379131	5332302	3841048	3863092	953389	958721	6341181	6282253	2017013	2051279	2162761	2164011	1199319	1261364	976979	1059272	1451441	1444564	4186128	2896655	149284	156374	14414	12586	26946	28605	20349	23629	67018	65936	106798	95740	18165	15180	20812	19796	20897	21044	69280	76453	229251	225574	389410	384019	109370	107520	17727	23666	127821	123060	86809	87405	21443	17797	31167	33180	20089	21198	99331	95733	15354	20607	18305	20128	26983	15505	28842	23950	26183	28219	1043784	1006321	918535	893341	103216	102009	69528	75994	715972	703507	1150538	1155462	1302608	1273307	1227645	1210466	1535411	1492085	792658	795772	965314	1007762	2279447	2269306	1420818	1376273	1371299	1344484	2199174	2264365	1184596	1173623	2267311	2291644	1228833	1211505	798344	804447	78620	79880	711256	729485	1847296	1849556	982147	999603
179.9855@0.79079866	966189	845273	714986	778470	688788	698821	606375	608978	835241	792876	628581	712965	956462	690573	587701	473585	1585727	804115	659004	560237	715479	774040	379628	384627	731222	727037	584401	564884	461700	448927	2583651	2585836	2620349	2578926	2670307	2589482	2625017	2609086	1443801	1428680	2082460	2129750	2336269	2436785	869913	973439	1361076	1410604	3337334	3240185	2145415	2046310	1654983	1593732	3866869	4011780	2902298	3034356	2215767	2256806	1615764	1528073	1854500	1836874	1857397	1831631	2240368	2305801	1676045	1652807	1933960	1992454	2061554	1858795	3249752	3242353	3015191	2157195	1045577	1121806	505062	364825	1550103	1762144	1754410	1815263	1784334	1886284	1303295	1624959	2122152	2100071	1032901	1501067	2420901	2499058	2126438	2123788	2756703	2707816	2286711	2274187	2404700	2451998	2868801	2744604	3549820	3621729	2043972	2065360	2665094	2640690	3167918	3182463	2065999	2048317	2372232	2496517	2376427	2359892	2895884	2911209	2788183	2776520	1097579	2402286	2025155	2025442	1524895	1559965	2246570	2307759	1603998	1590481	1686570	1674145	2691924	2653181	2045968	2077707	2561819	2581201	1817349	1816300	2773156	2740826	2146234	2054208	2760089	2737872	2329211	2374782	2263823	2283466	633079	642496	2404289	2448549	2130840	2172102	1563458	1626745	1845889	1837864	678838	662639	761268	756260	847703	827782	1469023	1515439	859676	850770	1125107	973824	824639	802778	775783	779729	779824	782444	810455	823056	690237	666746	1001412	1003155	862736	882202	582157	578666	1316418	1299948	714841	714992	864303	835995	739059	755934	1097854	856240	1236246	1199781	757137	726990	630190	690879	669263	659307
Isokobusone	853256	611897	59226	129744	51281	34460	29688	46130	134024	89573	201650	248626	1138310	472828	1254487	814276	1827351	692249	875782	282799	312706	303313	57456	85812	51669	85415	54677	40499	43406	50708	25314	68331	41290	23705	64246	11098	35594	65739	55067	115806	77584	42011	71662	29850	84371	81885	125941	70150	61520	47075	45824	33039	292756	127110	72387	47766	93684	73600	28168	27951	39899	32965	40657	21985	49055	18939	12790	31443	43366	31577	51874	20902	23986	38272	16803	41395	22763	47363	38201	69288	336328	148601	86000	40321	33944	14739	35568	7462	40506	36711	43714	25080	13970	27609	85086	41883	86269	47858	45977	40325	84975	59823	44864	41918	222295	67407	24244	28457	130626	72866	54623	51374	4974176	48463	41531	64101	34121	35152	44109	53548	66996	50596	52306	44563	75974	45341	68254	69727	87946	81890	38916	54509	69296	85513	68517	59525	72010	75792	69634	86164	58520	90890	70689	81438	61487	66171	70173	45956	42834	71152	73371	74330	47799	64861	198580	34845	63652	57943	101482	106081	104046	64623	49556	52278	64516	103053	105850	41197	82478	40137	48932	54067	90712	71715	222937	186413	71767	54546	38822	46947	44734	47341	42120	37673	34981	21257	42022	26700	28791	44067	52086	31781	17582	33852	52352	24130	58128	36154	35993	36030	205647	29906	57790	32067	94934	13166	78359	133650	42617	53990
C27 H53 N7 O8	203634	212253	224854	221997	214787	227559	206955	215451	208704	206216	215171	216318	190360	191892	184124	190718	158609	187086	179801	187340	204666	211271	207730	231283	243726	260387	249115	257931	240717	253907	239752	246759	253632	254485	275924	297144	256698	252121	245763	254316	242470	242767	248319	234230	238655	242889	233594	255448	257971	260579	294266	286837	281807	274556	273984	275793	256844	254572	202830	213470	198850	206135	209908	206545	207549	204984	206281	203029	199743	195478	203163	195635	425998	425663	443834	454506	423394	446429	456025	486410	418679	471605	460467	452886	453420	457782	438591	446892	453161	456946	448844	459658	291148	415176	429052	468604	465745	474175	489824	503585	504794	488650	503099	503736	486597	512870	501241	518974	520190	517269	524964	500073	5491214	565901	189582	184561	194272	192526	171431	189029	193962	196097	198318	189761	184749	182290	189380	193393	184150	193707	194899	188428	193278	185168	185709	175808	182139	186760	182456	190874	183153	185331	181320	178845	194553	182765	192330	185704	190920	195379	194456	183653	190347	185254	178521	183111	196762	193679	180889	179465	188885	184903	190799	181544	932757	909624	897055	924800	897745	902670	916367	899857	898932	903442	872979	864459	919790	913998	806023	723462	660354	633026	602425	622435	615061	588370	581168	563307	573747	564497	582038	585836	579760	599825	574339	561711	572969	593470	585633	577607	538245	571758	580186	564753	571365	580122	601344	589877	574735	564555
967.0077@3.0919995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2284994	1	1	454279	1	5357465	1899492	1	1	1	1	1	1	1	1	1	497458	1	1	290476	1	1	1	1	1.25E+07	1	1	1	1	1	1	1	1	76836	1	1	50779	175216	3803007	51457	880421	1	1	1	1	1	1	48792	349161	72793	1	1	1	1	1	24277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
F-Honaucin A	2928736	2925275	3478460	3744302	2691925	2656238	3387085	3194229	3331124	3641486	2668612	2636608	2738262	2731474	2395023	2217528	3809013	3521192	2801951	2539986	2277271	2439868	2787084	2891355	2889035	3048141	2921713	2837113	3551884	3644903	483041	486966	796081	841126	325556	335050	462928	459475	681633	679462	807458	780943	421997	410238	187071	186542	669781	714795	173079	187502	76036	80352	1183404	1155780	243228	238873	1054563	992153	1083819	995518	1235066	1252892	3011407	2860266	644937	636485	1025366	1011105	1039385	1049093	4275425	4300159	492315	459792	1199598	1169478	851698	883237	1370706	1407909	3394426	3200423	3091179	3147484	1016526	1016910	4585308	4697009	3604163	3761394	4719436	4620023	955286	803689	4674949	4496526	4026739	4033159	1305267	1229992	3491426	3390867	1577101	1588741	2367188	2337583	865348	890738	1369721	1357228	1363536	1335589	3373224	2433218	1979520	1968282	2022731	2073028	2480566	2446990	3103958	3093237	1296911	1321784	2393445	2375836	2420857	2370094	2471092	2423973	2534573	2619559	2739014	2681592	2186130	2161296	2605226	2703172	2663761	2708556	3033493	3068610	2450449	2451869	2170012	2183006	1889718	1943760	1490716	1512778	2633674	2725340	1699441	1661052	1939611	1827873	1278923	1310933	3510008	3512823	2382997	2403576	1435818	1475334	169932	165759	166810	168865	126535	126751	85891	83802	904320	908898	320892	320246	333773	341696	131865	135238	399627	381703	61943	64463	764490	762164	1479799	1507223	248183	253736	794900	782312	1300650	1324073	142623	142141	881327	862840	159767	157715	798942	719474	128980	124574	646786	670550	888034	867813	503091	509029
3-Fluoro-cis,cis-muconate	3497969	3549663	3580843	3481007	3601742	3501586	3286121	3371410	4392268	4347225	3956888	3933611	3851719	3837353	2587282	2478932	4236954	4033127	3765161	3738341	3272797	3239136	2417359	2543314	3832657	3997038	3225197	3176638	2757276	2822170	3390640	3344225	3560192	3591075	3506177	3513088	3465897	3393016	3074809	3103764	3523413	3463848	2926783	2979446	2329950	2353050	2797906	2881367	2887257	2983545	2092431	2165089	3244179	3175538	3325351	3340866	3898904	3782833	3709048	3748552	3315667	3314792	3843484	3859873	3682739	3651578	3832527	3825077	3216536	3198176	3875406	3799885	2867908	2670973	3891653	4003322	3850842	3952843	3297728	3455026	1966025	1842280	3194164	3297756	3169615	3144435	3049056	3063967	2969455	3035829	3488162	3566375	2224048	2429917	3762855	3680929	3885994	4034908	3766107	3728093	3603168	3561354	3486489	3564058	3758643	3761954	3932243	3832228	2684065	2754695	3596284	3541610	4654203	4433129	639223	632858	670721	671428	742292	746274	757197	774672	642479	626236	674068	681808	667415	660663	574542	554603	717938	719686	583494	573792	632311	625278	779146	764968	694019	700095	771902	794149	628248	624182	798667	786919	654488	658171	795220	768873	793293	798174	708214	700885	462267	452919	595186	599345	809542	814748	596379	599348	589708	595500	433400	434581	464102	469515	407745	440130	539017	550859	493520	493875	547014	539200	456424	460051	493582	498784	613685	606486	482002	481161	594775	598502	628074	641734	625804	613272	525392	514584	773208	759349	512746	514063	653596	664291	530225	528298	636660	623512	424585	421546	596260	590078	483065	497091	502777	490596
Inosine 5'-monophosphate (IMP) nullnullnull 1.2435035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4638205	4670479	6692912	6779838	1.27E+07	1.27E+07	5146964	5049056	6686689	6658596	4982341	4978104	1.61E+07	1.61E+07	2500295	2473117	4956447	4845553	1444118	3925067	4429233	4143781	3806626	3154635	2609285	2234283	1955492	1724891	1419360	1202606	1058507	917103	825438	734412	248732	277931	1.72E+07	1.72E+07	9810268	9824423	190720	5479334	1.21E+07	1.19E+07	8144890	306677	320161	370241	354984	377328	351847	369826	407383	398760	1	553780	54027	53608	1875764	1964711	62177	57990	1704826	1677866	62027	62089	1755951	1754281	2156330	2189916	2108208	2085294	64488	67951	80312	81996	57535	60347	63762	64230	1733808	1757408	2294685	2320460	1564327	1600431	61987	61228	1961629	1918471	70596	70045	2429616	2407345	70865	73930	63597	62141	67785	68794	1718992	1699360	2232217	2255625	67609	66037	647953	621519	59027	54296	49296	65680	61993	59102	319058	56614	49821	45073	61728	69060	458871	432722	311592	316457	316173	330574	39500	263148	583293	578640	281762	295699	418789	418947	251487	270151	471508	483552	523052	532812	560270	571933	285236	273059	30460	31892	36500	36271	164297	167174	254187	256522
175.9638@0.79084295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1251952	1274686	1044325	1001675	1267275	1239323	1244911	1227155	1342173	1349114	1011893	957719	1214406	1202092	835382	847822	1489674	1425276	1361681	1402898	955794	966448	547815	574596	986234	1040248	1045104	1059802	1159829	1251027	899394	1040229	1159979	1174052	968394	742122	1425396	1327040	1328271	1247499	1391190	1357856	1192198	1191433	1135215	1168213	1256672	1292034	1551098	1526871	1017370	1010234	1292869	1196765	1470287	1460010	2498367	2407674	2546762	2569924	2453180	2450258	2539666	2584260	2203462	2138974	847760	2065559	2060584	2069725	1842255	1779370	2188207	2197278	1847786	1739001	1941060	1915805	2254140	2212095	2052647	2057507	2120901	2140521	1836304	1819952	2322515	2364166	1940472	1936897	2352347	2291054	2301791	2280446	1952896	1936744	1508109	1489449	1810888	1816338	2099963	2067182	1029845	1704969	1721703	1768887	933843	976574	996624	1038168	1072458	1036386	1371412	1300880	1052326	1046444	1110053	1139437	934902	1082181	953269	950563	988512	940856	878305	898564	963398	926388	857649	985633	1050001	990043	830233	684995	1276062	1250434	921479	879733	1031152	1038454	962669	979793	1058755	919275	832628	835487	882076	876949	795933	772175	810941	828761
Thyrotropin releasing hormone	108345	113633	112241	102162	105193	105338	95726	95842	99136	102830	103186	100447	105160	105049	99320	103830	107166	101371	104290	103034	102141	106152	100728	112427	120976	124361	125009	118116	112439	124493	133168	125645	130943	128675	125589	123841	122826	119391	119447	116811	123184	118690	119975	111850	127035	125778	114911	117146	123629	135850	134760	119266	130595	133641	130277	127611	136768	145935	70400	72232	74415	80375	72152	74753	78902	76786	72029	68834	67120	63613	67278	71579	104168	100944	112992	102479	109130	114182	117032	116674	126049	131452	125651	115733	108971	102919	95480	96680	93776	106783	95021	98692	96427	117657	122152	109127	116881	123983	121904	110291	115896	106336	106606	113107	123499	123934	114195	110018	119885	122147	118698	117842	3406209	128865	131794	144460	133839	132541	144745	149811	149300	151122	145697	145914	148317	136393	146245	140473	148126	150551	146073	135432	148668	145194	144662	159586	151396	145049	153141	145823	148112	141967	139051	148009	149817	145764	140073	141030	136989	135544	142090	131499	143009	146459	144033	146420	135695	129739	148282	147434	147916	141971	139770	130743	124988	124055	119267	127570	141942	133763	134848	142483	137296	133433	142959	138023	136520	135444	131138	118971	115039	117576	118428	114019	125427	127093	136834	138519	124238	123802	120089	123554	116057	124720	123670	113952	126562	120826	117072	115931	133563	130642	130612	135481	122868	124836	117415	125085	132093	136708
C22 H41 N3 O18	100518	104995	131573	133045	61799	57733	182186	182969	146667	146759	70493	68737	82031	84709	119180	111146	129552	128183	135428	134891	38094	38673	201242	214963	100068	105300	92743	90374	161962	162369	11445	11562	31322	31331	36179	38688	12161	13120	46506	48415	13779	12634	18333	20172	17828	20498	25541	25930	1	1	1	1	76301	70703	1	1	59782	60050	479339	480900	336525	338163	938998	907332	141046	138608	226232	228245	99644	97780	971903	976388	195248	191191	236641	233202	203670	194043	367237	371039	425222	409244	771147	813987	145796	146431	3111819	3108065	2070014	2129987	651294	647022	128432	156246	1163457	1170786	1065477	1085408	417423	420214	1412398	1376976	295743	296396	361817	361523	79557	77511	698410	721501	525160	508507	422585	459589	21679	20585	22086	22374	23678	24387	33452	37089	15399	18084	36187	34315	42765	39434	64716	61574	21773	22710	33887	32516	21535	19184	20963	21012	47834	45550	25141	26012	45410	44037	21400	18973	18748	21173	30199	30425	61646	62391	38003	37180	37528	36463	22313	21107	56627	56098	45045	45814	35831	34440	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
272.019@0.890171	287597	281852	261293	257463	153533	150697	282639	297768	270068	261863	157146	152372	211799	218070	215276	211627	236100	243895	220784	228555	118652	125409	393110	402243	207386	225287	213037	216930	312238	317991	35724	38092	59022	55398	36596	45066	32050	29408	52820	56521	75856	80211	30933	28027	57342	57755	55386	61050	13213	12029	34169	32614	88220	83000	1	1	175136	175634	1146011	1160083	1200729	1240851	3046012	3043275	823336	800543	733700	737900	397546	383987	3165436	3172710	721381	711815	505899	511432	782853	625617	996501	1042500	2575997	2637512	2096978	2212257	361781	363206	3615229	3628171	3161491	3299118	2822259	2848234	1255733	1340723	3579499	3586457	2909959	2929189	868671	869789	2568958	2526447	1525594	1510845	1280629	1222609	291151	282155	1185896	1236601	1120891	1097039	1497135	1466584	214048	209855	151818	155893	312751	308452	214158	227807	68375	73026	232488	226654	226958	234385	261491	268548	198920	206197	280657	273431	265019	259492	220416	212125	237658	230979	252652	245254	210191	217343	157150	150995	171280	171347	82000	82550	215876	222748	126853	128720	399490	402747	80542	80451	531877	541721	282437	263873	101425	104974	46111	51470	35384	37129	61342	64738	24294	20333	197503	203801	42941	46785	85541	87856	40235	43646	70018	65035	26299	24825	209591	210490	405180	411629	53445	52200	199960	197352	271334	279728	44391	45332	252389	256474	46549	44212	191414	194539	32025	29859	170426	175517	271513	277569	212000	212330
339.252@4.8825965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	393525	391816	383154	373383	382283	360293	379968	364449	367411	371539	360671	353295	364625	350882	815742	770004	760279	761401	728044	724506	744586	738766	715344	710699	694724	709302	698409	701840	689417	707420	705367	699462	719013	699746	527779	788926	798255	782833	776993	799227	770563	781737	788906	759143	791833	763625	766458	754377	773957	757746	811617	787382	782588	791864	1.95E+07	829256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12648	13750	14371	13827	15468	13196	13550	12027	14956	14906	15055	13453	12864	14251	8035	1	1	7931	8369	8152	8536	9093	1	7817	8042	7731	8144	1	8950	8192	7861	8616	1	7194	7708	1	8325	1	8724	1	7612	1	9957	7945	8313	8247
<none>	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2641741	2648987	2919644	2999527	1966216	2012640	3229267	3259213	3282578	3300296	3425344	3445252	1605430	1612486	2516318	2476087	3345368	3310675	2885336	2833726	2489004	2597812	1776488	1765872	1996711	2011888	3073196	3095872	1162202	1152529	1443897	1467555	1555937	1534157	2201068	2148892	1721184	1747579	2020247	2080746	3537717	3544852	2370315	2342255	3049015	3122168	3225194	3238581	3938448	3928344	3196110	3254584	3423804	3357024	3525482	3410377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H2 N2 O5 S	2933937	2905428	2949663	2907666	3142971	3080618	2724743	2703237	2841425	2907503	3131048	3069519	3010614	3028566	2890352	2863688	2744944	2699301	2799423	2733564	2949128	2937758	2558353	2645746	2938436	3114120	2903520	2954028	2707665	2757272	3420617	177971	3377808	3405518	3443150	3389773	3526167	3437077	3467130	3446722	3384125	177794	3479756	191394	3493103	3535770	3395609	3552854	126792	3603004	3924798	3801678	3919036	3854189	3908962	3880740	3777133	3678078	1993036	1924619	1893888	2005931	1602594	1515967	2189734	2141154	2053058	2101821	2098635	2002351	1038962	1001558	3105862	2942249	3043138	3005727	2367632	1470311	1120476	1283109	917764	991033	1270245	1401711	2025843	2146640	1026489	1016162	1369824	1458219	1398827	1497590	2513258	2582963	1753759	1813619	2048044	2030969	3028774	3070053	2335638	2294260	2786613	2836709	2816560	2814816	3064816	3089547	2814485	2825292	2911107	2884625	3695359	3091055	2899134	2992839	2980444	3044534	2922871	2954746	2989618	2935517	3019686	3089114	3024339	3004701	3034601	3019036	3012728	3016596	3034280	3034063	3009609	2969117	3021251	2975980	3038904	3027185	3001515	3006023	3058584	3057633	3014194	3035056	3074650	3033379	3082570	3048311	3092907	3000275	3001674	2940465	3025871	2978766	2799902	2828973	2968085	3001239	2853268	2824988	2973224	2909393	2939584	2952834	2941356	2941374	3108386	3027673	2925199	2992746	3188140	3226913	2866444	2877331	3092692	3088843	3161820	3169474	3261984	3307331	3174511	3185478	3298690	3293150	3144043	3199335	2989736	3048541	3353575	3290392	3237982	3175483	3138024	3146280	3361566	3345997	3187221	3146755	3421384	3253054	3315874	3266160	3556764	3481968	3191010	3380349	3252596	3275500	3258970	3257895
159.0196@0.9355413	2757572	2758116	2642208	2816326	2901003	2836315	2728736	2746104	3621668	3308198	3095086	3049698	2966061	2946728	1935129	2068678	3524593	3464242	3079273	3040393	2648504	2695088	2053547	2113833	3039824	3299024	2619095	2588279	2264092	2293283	2765835	2767017	2988815	3001337	2885704	2878437	2782062	2826711	2604536	2616852	2892078	2886371	2377181	2428666	1941037	1948484	2345439	2405107	2338145	2386434	1708948	1685181	2646979	2619636	2672495	2679475	3211114	3219816	3051387	3045353	2651305	2657186	3221759	3170037	3035754	3001038	3116978	3076083	2593820	2560190	3233906	3268639	2304594	2140122	3188115	3021990	3084175	3127704	2603786	2698261	1610185	1510704	2601854	2735951	2497334	2483378	2548342	2546207	2397626	2469852	2851995	2809024	1721093	1924465	3143748	3115657	3330580	3424502	3006649	3056584	3046869	3018180	2814477	2900925	3124053	3096922	3207615	3172021	2278245	2311603	3010318	2933649	3902736	3657449	486618	488392	522587	523278	562263	568272	586512	583880	478450	479654	499360	518406	499811	502246	442657	426481	545542	552494	441084	440152	481034	496371	590010	596996	535575	542714	604675	614135	465270	462249	604936	618144	511805	496296	617312	615676	613141	619331	540853	551474	368555	370377	490936	501174	671591	671443	488274	481516	489718	492324	338666	342471	373337	368107	331055	341976	446699	428331	406654	404011	433229	447405	387121	378749	396249	386391	472847	464506	395648	392865	486400	486833	496611	495838	484950	480051	407531	386644	597014	599597	386793	393118	503953	490416	395995	409354	482714	493628	309386	310293	473948	464334	373989	379542	379553	375879
967.0076@7.658998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1213307	1	1158228	1	1	1	1	213213	1	1	65958	1	1	1	24271	1	347457	1	1	1	1	603891	1	1	241300	18087	1	1	1	1	1	1	36192	46667	1	52129	16046	23264	155750	1	37761	1	33677	1427928	1	1	1	164792	1	1540127	1	1069127	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5-(hydroxymethyl)- 2-Furancarboxylic acid	1	1	12377	1	1637836	1	12033	1	1	12637	1	1	1	1	1	1481240	1	1	1	1	1407995	1455401	1	1	1	1	1	1	1	1	1309324	20964	1379776	1307437	897970	885872	1160924	1150259	1226610	1209210	1254552	1256058	1297963	1338884	27537	827708	1452400	1445429	745958	743409	391112	409852	1602539	1521712	691575	652465	918982	948812	1419061	1353292	1740782	1707563	1972405	1922461	1032445	997362	1595128	1577305	1525282	1535579	3603802	3614952	1450117	1338570	1502839	1472418	1168903	1165246	1285815	1370682	2056945	1995406	1972525	2018661	1372151	1387656	2730935	2736562	2028779	2166767	3169975	3114762	2043553	2054515	3968296	4020438	2837909	2881769	1683924	1733577	2348347	2674281	2018802	2028953	2653458	2627008	1438323	1431856	2062725	2073347	2065922	2009422	2508773	2868181	23709	23938	29775	27118	20344	22263	19520	18073	22710	24045	28142	23605	28291	23387	25227	26621	28317	19334	26280	28012	34274	35264	23960	26054	24747	18714	27026	33642	27562	21860	22230	34114	26810	31411	36492	37494	25648	26382	42918	41360	22426	27015	22359	27736	35389	34740	21642	17624	36225	38593	50768	44325	44627	47589	46807	46318	32591	26932	67995	65461	36374	38695	69991	60465	36159	36021	44412	44184	39430	39727	73762	71930	65685	59876	40702	40510	105423	108829	58358	61084	37703	40250	53810	46348	32478	36697	57358	60126	30471	31185	58953	58453	76621	75704	68923	65583
C25 H45 N5 O4 S	13958	13141	17469	14481	17204	16140	16342	15668	13579	15656	14910	14502	12401	14015	12373	14340	11397	12334	9566	12862	13279	12056	16249	14947	21916	20298	19535	20866	15810	21486	17596	21125	20754	20148	23689	24518	20953	19936	19325	21070	21112	20381	20490	17708	16277	19107	18707	21435	21582	23714	30700	27091	25301	27323	24789	25533	23500	23344	1400813	1544813	1335264	1465514	1498640	1473749	1490357	1468256	1495191	1492773	1402166	1394357	1323457	1313499	1520559	1297780	1388002	1385219	1309950	1338055	1395756	1374909	1145746	1282775	1262193	1247745	1258066	1292455	1200147	1130249	1210655	1297715	1325587	1344361	1333016	1485964	1514790	1501173	1439303	1471241	1563436	1499655	1474760	1419303	1562767	1416544	1482654	1479535	1546075	1536022	1434959	1485388	1537175	1517327	3261249	1629615	354464	328609	365789	372196	348086	359935	374089	374724	367136	391481	362595	364459	381393	388158	365733	360801	363812	357872	333949	354650	321834	335418	356723	364210	345491	333675	352406	366974	350876	355163	350606	360528	374524	371386	389363	359321	375149	358519	358857	350748	315396	340326	345305	378916	337250	325902	338514	343846	361349	354890	236225	218579	267504	231422	225928	224308	253309	217674	204550	193721	234768	226647	233577	224594	188087	180008	192396	171088	195236	175716	183037	172190	163815	164178	172762	165664	173266	167740	173073	175640	182020	173435	165266	171544	185202	168747	158152	174838	171432	173763	164794	168857	176502	165832	154659	154309
C39 H70 N3 O9	112468	117620	132090	127153	135791	131255	112998	107462	104296	107857	126548	126065	104202	102832	96025	94737	69167	90009	86461	91861	108225	119092	108864	122323	152396	150348	144578	147547	131417	135681	139621	137187	146457	147617	179043	176483	157323	157478	149640	148847	144697	144255	147393	151440	138112	136668	143642	147611	165215	171599	196502	195945	171987	182293	194849	194686	164799	166219	64591	66361	58870	63008	65893	64651	68711	67359	69552	68013	67442	65734	66657	63366	17314	16828	18490	17413	26687	25959	19142	20628	15599	22333	31190	32647	26780	27738	27984	31373	33456	37717	41227	41602	89478	107809	90644	95917	99951	107577	100007	101662	98619	99364	107580	111370	102034	107245	117482	110262	109602	116222	121284	119147	3222649	195519	130768	126209	134641	132854	109607	115866	127217	132513	134352	133707	122316	121094	127381	122369	131047	121913	123806	126526	118002	116189	104116	117546	118132	118650	118108	122679	122511	117278	112319	114641	127855	121979	133457	122008	126172	132393	126932	128452	116717	121495	116622	117440	131268	130120	109900	113318	119583	117619	122170	123035	578912	578648	575834	584486	546964	565233	562356	545996	294472	303867	544358	556710	558661	549069	682115	657307	641517	641735	650311	659621	575092	577238	505212	495304	575054	554598	526281	508180	498724	508682	543797	525839	486152	490991	538265	520492	415353	458632	452298	474627	479705	488697	465278	456231	371105	371879
6-alpha-Maltosylglucose	239219	240325	282735	284645	194146	193680	352836	360752	300686	316484	195262	194730	224590	224689	313221	320936	271725	272510	339191	331652	152753	145732	377698	388450	261597	287970	238009	247098	325347	326261	1608123	1588752	3527776	3560884	4129598	4085108	1842142	1843661	8262560	8226948	1527024	1547549	2493879	2566016	1745067	1741551	4022990	4123139	863411	872661	688154	738477	8924389	8850105	927323	929352	6394043	6348093	1174523	1171596	782403	791482	1410645	1387872	407955	401709	602879	601994	298690	290903	1022962	1021969	636860	620163	747253	738118	522875	520089	732510	749465	511964	491555	1069156	1088442	398179	404363	2710709	2674749	2134882	2201943	706634	709834	333361	374460	1268647	1251726	1287487	1291459	1165676	1168616	1971636	1952351	582651	584123	737602	735947	289478	299259	1616725	1635641	1271426	1243276	1064294	906435	47806	43303	55547	52794	42273	43808	54424	57888	65061	63521	54822	55222	77293	76014	92416	93198	47410	46338	52824	52533	37699	37683	43397	44291	75836	74078	38718	36392	76500	83082	48129	50026	46435	44856	109672	107069	105322	106407	108444	113587	61946	65468	87121	82675	68468	75096	66380	61923	110408	106701	1	1	8101	1	1	1	1	1	23030	22718	9011	8876	8380	7628	1	1	12807	13133	1	1	1	1	1	1	20689	18283	1	1	1	1	1	1	1	1	1	1	1	1	1	8208	1	1	1	1	1	1
Embelin nullnullnull 10.008071	130181	128365	129594	129099	138218	116912	125826	109195	122835	167511	116646	133142	127890	129915	131064	118431	127996	133907	124254	111538	112118	114652	114801	112405	130985	128272	127276	121181	143205	168959	122232	123030	139742	119585	121189	141345	124149	133277	137969	126529	126003	120794	116172	161973	152836	129618	133874	135510	134440	156902	143223	154843	169198	155876	174526	140624	161056	165212	125954	174926	135480	157471	166365	144571	141851	154402	147205	145906	134410	162823	168881	134936	55273	13481	23203	19543	14889	20461	12370	16752	20192	28001	72246	59982	16739	15438	25606	43019	23065	26342	27965	23563	37994	33676	45472	50205	52496	86715	64676	49670	58931	49983	54842	43637	56945	49844	47778	51130	63003	58562	63658	133385	2828920	61563	130255	99824	100350	108970	118728	111139	115502	105666	116474	102842	103851	111155	143101	141549	104671	115037	100362	106636	110459	112214	114105	111591	98468	167742	114421	103064	103654	109009	99024	94115	98274	105412	94533	104765	125661	91290	103938	123915	122465	104413	117921	117954	101899	121378	164495	119280	120020	118531	131857	94917	112980	102486	108736	105685	185322	120415	125063	133045	125634	122469	122448	127487	120106	142618	142687	145717	162334	146156	143536	155585	174650	170389	156534	173254	161512	156489	140221	156451	181951	167722	174350	153635	162478	158468	173103	140074	196152	161356	151580	183980	150635	165218	174065	149930	173742	155652
C7 H18 N5 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1319691	1305450	1425819	1412548	2182172	2055113	1122467	1101310	1210873	1218925	1059061	1062950	2753460	2754398	860936	838834	901974	913468	1076013	1122321	1518080	1497366	2402383	2311228	2090151	2138275	1046948	1022866	2379690	2339706	2226653	2243088	2429398	2379960	1165700	1153419	2501838	2501676	2373656	2364227	988300	1011494	2042437	2035135	1541171	1579709	1551585	1558449	743771	773823	1335232	1389057	1333031	1346060	1767702	1840300	76372	74189	62119	64950	98001	94522	122795	131225	23287	25076	138681	133229	99075	89930	138806	137431	77149	78083	148743	143158	110977	103819	89467	91552	115144	113207	147289	133041	111553	115444	61594	56506	63232	63904	32068	30337	109038	107286	40987	39260	111784	114065	26207	26069	156869	166940	157091	157948	44189	38338	27899	23318	20969	19535	15329	15190	8452	10031	76900	80614	17944	16246	38814	43178	16850	17230	27430	26308	9604	8922	44136	44667	161798	161896	26134	25018	41571	42583	93660	95306	23340	24830	68580	67565	13079	13036	43381	45081	25087	23580	36494	37483	46251	43876	68773	67677
4-Acetamido-2-amino-6-nitrotoluene	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	311034	287219	405709	384934	432907	413881	177636	179125	163782	169036	528945	516876	1069842	1122248	185065	158863	406704	407011	280173	265845	450329	485406	2035157	1907547	1899723	1892116	767603	743643	1305025	1307775	1198185	1308730	1438915	1458245	148126	372267	1775278	1743542	2248953	2329179	356119	355366	1837096	1846631	521009	543371	836189	831893	602440	599046	953518	951007	656097	615345	969487	906761	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
S-(Carboxymethyl)-L-cysteine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	576628	541311	741522	753733	811152	770638	496186	505666	285082	288259	339199	338322	1987693	2001525	333898	298304	647242	641127	712470	746686	1297951	1429300	2937454	2901945	2041775	2106452	506637	516530	3070679	3051041	2102989	2293817	1824440	1842541	295639	582433	2644285	2633937	2264543	2298398	796949	774962	2227731	2158064	1131210	1153003	1080216	1096014	426492	422081	1049192	1083221	947791	917093	1322423	1425246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H N3 O3 S	1120553	1116924	1090953	1080472	859763	836430	1120804	1066791	1075014	1078925	764368	793102	991238	1005863	956615	948039	1050941	1043156	987041	968631	716710	711470	1195132	1255791	927884	1014811	950138	977310	1121963	1145027	441907	444004	551178	531468	485222	478118	400785	411815	532143	526597	640967	656449	438943	447527	591960	581559	572267	570086	289612	287510	407571	402267	668157	651692	122261	128165	970059	1024713	2004083	2003567	2139828	2135598	2528206	2624843	1946551	1930218	1857646	1896907	1358538	1393121	2316175	2346388	1666889	1591864	1697969	1662814	1952034	1737698	1988038	2009495	2384542	2307018	2358831	2329368	1219378	1234946	1939323	1955759	2092757	2130910	2113165	2221030	1800921	1857350	2570045	2643562	2653853	2693827	2091587	2082723	2710424	2705528	2508782	2539338	2375609	2398151	1286813	1339462	2326841	2352655	2370816	2322420	2966340	2755213	954590	945725	819624	859003	1026330	1017743	1015758	1026305	570071	571098	1000871	1019996	1021964	1018543	1120982	1089050	944128	933447	1141387	1159858	1094194	1114050	1025677	1016987	1078005	1064228	1122239	1135945	1028586	1038390	830404	821961	902278	896912	628647	636727	1080973	1079200	797248	802528	1218965	1215364	635403	637919	1428893	1462317	1236859	1221214	711117	715789	351788	359831	339753	330187	456880	457446	285936	295267	788526	816551	389624	393539	657920	671010	360657	348576	468426	459087	264095	261918	841063	816130	1163011	1139686	403987	404676	793485	774179	961406	954400	371267	374984	878009	861796	350434	362783	771425	779700	433575	420823	762839	739517	907503	937484	824209	833945
SB 216763	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	884426	871311	1219378	1224418	2016558	1967672	983988	972328	1216024	1222755	927362	947626	2386156	2459939	485127	472843	867397	841321	821962	826187	1162873	1153531	1830727	1757356	1184423	1181491	909096	893340	2247645	2166256	1979264	2000699	1973583	1933412	606641	711538	2277393	2318122	1504910	1509211	927211	925793	1738370	1739974	1283297	1300562	1263512	1266724	821143	814678	614720	631517	808647	783918	1483498	1429487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.0078@3.6059997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	542328	204381	2087076	1	1	1	1	86292	1	258463	3178078	1035983	6270256	1	1	1	1	272510	183326	1	1510194	1	1	1	1	1	134406	1	1	60729	1	1	1	222908	1	1	38450	1	2245874	1	226438	1	1	1	1	1	1	1	1	1	128378	2127265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.0514@0.85283214	311625	299052	185806	166805	80001	89966	181584	253909	161152	167190	106938	114501	175924	176395	179218	172863	254011	242501	206871	212460	126992	127945	199113	225439	100260	117098	243022	234948	257810	270741	25330	23547	38436	40070	29785	28387	31635	32167	47176	51305	26547	31406	25926	31859	31564	30141	45947	46594	12462	13019	25157	27558	65032	59332	13461	11221	59648	53837	711718	687582	751108	746303	1485186	1441829	422449	422675	640320	679089	1218574	1205295	2364701	2431634	484964	474791	606638	603954	432400	502496	630616	649628	2113158	2005012	1807541	1810572	1340481	1332758	2340512	2351950	1837295	1934200	2578371	2685332	825725	909904	2282635	2227860	2304736	2401294	510782	490479	1682325	1656432	604427	577463	895813	869820	967716	986935	822908	826150	758787	747640	927046	925663	8764	10395	11440	9252	1	1	12747	12193	1	1	1	10374	12044	10682	1	9783	1	9589	8609	13589	1	10598	9927	8653	12144	15805	9099	1	11879	10990	9839	10748	8567	9678	1	1	1	1	8338	1	7362	1	1	1	1	12102	13096	10925	1	1	1	1	1	1	1	1	1	1	9326	1	1	1	1	1	1	1	1	1	1	1	1	1	12772	9122	1	8400	1	1	7827	1	1	7640	8824	8132	1	1	14342	1	1	1	8036	1	6621	9684	1	1
C9 H4 N O10 S	1864285	1855257	1848622	1844383	2184438	2129083	1738427	1731183	1847204	1886624	2039535	2034896	1965838	1970285	1949394	1921826	1741113	1713766	1861339	1828942	2059077	2059107	1619846	1655808	1985068	2091757	1947313	1992934	1737848	1754478	2609087	2583910	2626827	2610781	2715789	2622964	2648399	2659005	2664587	2645422	2641556	2667981	2680179	2732213	2709757	2793855	2712233	2708789	2772256	2840693	2846399	2698846	2867723	2775576	2885167	2864739	2772017	2836617	1211248	1205204	1291774	1285136	850893	870096	1483269	1447314	1439513	1447656	1423386	1426636	501657	504630	2143964	2108874	2204650	2212050	1662581	941060	663932	743674	431942	490675	671123	786103	1315360	1400778	437894	440421	692527	712460	764427	765621	1506518	1585691	934535	967899	1206787	1191978	2185646	2264668	1430423	1455534	1955073	1952096	1957973	1942405	2316672	2279864	1941877	1960876	2062766	2075629	2578936	2096641	2097377	2195071	2210600	2219589	2124225	2166142	2151579	2157095	2243838	2283185	2144348	2167808	2170491	2189249	2180063	2200126	2167464	2180233	2092620	2072122	2062968	2082902	2072892	2106434	2147234	2077603	2124953	2114306	2173910	2103639	2158839	2154485	2157485	2166111	2223675	2217814	2184731	2173890	2203106	2189950	2016352	2036300	2234997	2256503	2039573	2032194	2211805	2133345	2208972	2230643	2281164	2263928	2295027	2245075	2231705	2210883	2452187	2521880	2077932	2081645	2334310	2373007	2386499	2382530	2511219	2447268	2330658	2391302	2531001	2525256	2267751	2224814	2021993	2019662	2430044	2386661	2215748	2191499	2143912	2171051	2439397	2407392	2104948	2107671	2421047	2485115	2283271	2273189	2610297	2591912	2292209	2288618	2185287	2178613	2248856	2231810
Hydroxyibuprofen	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	239647	228251	422780	417079	178320	149932	255033	263354	100691	97928	262596	284728	371356	312846	451738	443024	330018	330130	293768	290693	652309	658926	1426315	950794	828236	9866	496235	491930	258008	272708	361075	379986	293561	291877	356569	370666	507644	452635	624855	681227	566182	556307	750684	683321	445682	428977	637294	551967	233020	227924	849593	821529	444870	423747	509124	568702	346911	344527	397960	390955	406395	409467	340071	334984	198114	213595	259142	259298	222571	217274	260235	265231	191895	194499	319060	332065	367352	381732	351449	421012	141503	143571	128733	131238	149584	146280	319510	308315	177740	167774	108697	110398	361520	353291	194541	182354	757643	751162	168561	172627	382389	383458	185031	181079	256436	252759	122501	151965	149235	153997	165367	176324	90451	87941	291174	269424	331609	307059	478611	470652	96001	94326	82329	62507	93769	98201	295750	268508	416578	423992	247844	250258	145508	140650	121688	128321	191234	208337	262857	235805	93062	95365	407063	197767	57149	57858	134985	127067	121474	167277	208476	199040
95.9323@0.8730356	2191572	2225444	2323314	2282908	2510237	2483868	2273211	2266717	2320162	2242121	2360271	2271927	2271473	2334764	2226450	2345555	2283961	2275743	2337431	2345447	2498667	2469518	2148429	2204600	2404160	2538399	2484215	2562078	2313250	2344587	2901888	2905705	2831286	2817785	2878482	2882135	2862716	2866642	2916438	2907202	2838940	2807018	3026586	3048785	3050463	3107889	3012361	3033933	3015827	3039434	2256912	2213745	3046297	2929193	3108675	3047041	2831871	2900428	1804940	1776718	1992808	2045883	1328656	1364390	2173802	2219597	2193488	2227327	2291808	2321740	1067860	1076053	1695289	1624103	2276085	2231917	1928885	1930716	1685105	1737762	1184778	1194856	1335855	1325094	2087627	2113942	784862	776094	964392	1029478	1058515	1064853	1485625	1441187	1145044	1190516	1375538	1406630	2371509	2379586	1593101	1592957	2087236	2083579	2200817	2134144	2669704	2633920	2188461	2206702	2313778	2261237	2434284	2272478	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
7alpha-Methyl-4-pregnene-3,20-dione	3069035	2443065	309805	869366	226847	143452	218113	28722	1578907	641374	369582	533417	2751085	505756	1742657	810788	1.02E+07	1112439	1671011	487284	741713	1224225	72396	77425	3050695	589264	606776	135916	399760	111551	1	1	1	1	19091	14346	11689	8280	1062754	523411	17269	19487	5852	1	1	1	349905	114098	1	1	14834	13209	931483	165758	1	1	31843	29640	1	1	1	1	12917	1	1	1	1	1	1	1	18835	1	1	1	1	1	1	1	22667	13982	2071082	410134	98144	14523	1	1	1	1	9899	13075	50244	21749	1	1	286692	40269	219375	41986	22311	9098	353568	117638	16530	10005	477036	28667	10341	6604	69953	23616	19923	26383	131719	20225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6327	6581	1	1	1	1	1	1	1	1	240858	275712	341991	227416	1	1	1	1	55167	19883	2061407	1398763	35576	18449	63366	46382	471998	255130	86461	75328	116051	39396	7456	1	82393	67015	86139	68904	55257	31682	117563	101178	80645	19604	86872	80365	2033904	70351	1	1	262389	96599	1087859	2637295	132538	60690
Phosphoric acid	2648764	2657782	2565843	2613158	2748367	2648372	2514837	2412816	2243103	2297859	2448311	2454712	2519507	2554102	3080587	3091459	2401043	2358894	2478435	2388287	2788923	2807275	2649059	2644807	2378691	2482685	2893291	2992975	2778810	2752086	2488482	2416304	2044723	2006208	2259679	2118682	2165620	2142676	2316474	2345815	2229429	2277461	2858336	2915238	3950586	3930555	3058620	3075216	3386580	3377410	2714250	2644714	2890244	2833489	2473966	2400508	1959771	2038000	2089169	2086891	1914454	2021714	1938693	1990169	1858401	1805844	1836044	1765647	1917630	1989679	2913031	2821556	2759865	2629151	2011909	2036169	1639975	1657100	2031631	1996588	2466368	2496704	2336804	2236175	1904945	1944038	2616453	2535877	2316459	2484562	2433542	2403861	1879621	2195763	2674941	2746069	2479858	2511910	2323117	2343065	2419008	2436908	2648303	2696560	2473766	2217892	1989292	1983062	2832152	2866373	2368603	2292724	2976012	2427916	2701181	2542015	2160624	2180826	1624199	1718389	2108242	2084279	2603882	2590782	2389643	2437869	2460792	2418329	2925163	2897171	2390382	2347387	2917586	2898310	3020020	2935131	2392432	2317388	2611596	2622262	2252758	2316394	2876863	2939737	2213192	2166178	2656140	2556461	2257886	2242206	2203523	2225509	2591259	2628714	2771178	2800208	2904782	2905178	1863143	1794638	3048218	2882815	2781583	2890876	1998572	2009097	2320551	2316333	2628597	2668042	2294678	2249486	2390965	2341479	2273115	2246905	2823414	2760714	2919350	2829778	2066189	2025877	2864243	2848762	1830615	1816342	2142846	2093041	2181536	2194889	2038230	1878244	1721256	1763223	2650311	2654737	1931996	1915652	2667712	2727644	1702919	1579679	2857137	2929730	2061805	2127786	1725799	1742996	2448224	2432360
158.0192@1.267791	1747834	1783127	1526391	1633411	1355215	1311811	1632242	1651575	1623591	1499529	1230270	1215951	1453511	1421060	1447005	1493773	1626007	1627938	1588113	1592129	1333645	1354914	1639676	1704253	1414501	1455507	1579036	1556201	1756717	1782518	588743	576477	672531	686167	804186	799101	623041	606798	904285	909544	709351	710568	691264	695063	487553	475571	777406	807727	455151	462314	367329	374890	1184843	1173065	419352	435457	754434	797730	1219160	1181369	1325878	1315267	2060231	2013808	1347948	1349401	1445009	1409187	995707	1218570	3341175	3402233	995332	937169	1045263	982948	902838	801733	958970	1023654	1288315	1304199	1405907	1519531	1122469	1073115	1895602	1961139	1641190	1734182	1421377	1447393	1019182	1268179	2198889	2234953	1836260	1879940	1775535	1323041	2355452	2314694	1566267	1266926	1777427	1705876	1258682	1252532	1440485	1521099	1355620	1323378	2010504	1837088	1245497	1156225	1090253	1073428	1208876	1262894	1323634	1340245	914527	883905	1298619	1188805	1136481	1106464	1244501	1253523	1329193	1236123	1319087	1422916	1274869	1377096	1433378	1451940	1399979	1489097	1214298	1278860	1307654	1278108	1173447	1162725	1076396	1070598	886662	889414	1235245	1207754	987303	984277	1382999	1384473	936101	978396	1570795	1547645	1273868	1394954	1034248	1084801	336672	343708	280356	341868	306831	286473	194459	245909	561561	489830	405201	350779	307572	318774	405363	296468	479687	479072	213444	228360	505093	479842	756735	774475	329053	386533	627119	483817	629774	620593	346525	313928	565646	540588	324073	377305	535464	519014	332212	315970	491447	468942	537745	490440	402182	365075
625.3594@11.989655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49439	19946	50969	58827	156119	35470	66242	53334	19450	1	129941	48867	266267	70972	47476	1	37839	1	27342	1	294068	247223	3511861	1207513	356323	114992	112218	68200	66304	23323	41161	64718	107346	56423	19579	1	440888	77569	327388	56570	87319	31969	480817	239039	36356	28355	860345	103357	1	22496	357431	153819	29507	30838	320012	55987	129002	183822	185089	182489	129801	96393	170876	157576	88330	77427	240669	284364	248067	223263	348584	337062	127930	169364	357710	380240	167788	161878	124331	119095	271834	236630	370048	394914	312569	315794	101690	98713	232348	250148	82277	69699	168932	194587	172955	185744	310189	282455	78726	70964	182262	208891	265585	221988	102128	95956	130007	139683	121849	91299	154046	88869	78543	52793	122387	46869	499318	410561	61216	34197	39911	26767	90494	54520	40303	38033	90299	23123	168798	68178	75442	58583	58181	52435	42498	26548	70782	65758	139273	32362	44432	45708	540838	40150	29776	20277	91380	38105	188488	327751	91797	44371
C5 H11 N6 O	790110	809777	875507	967032	948168	842194	721304	755705	717234	638318	672083	708640	691935	562270	542749	546323	615996	550400	575204	528995	535605	771318	795235	1082178	1503160	1661656	1300898	1411774	1025912	1525932	1107568	973168	1163367	1215058	1229256	1251092	1275590	1078628	1194458	1188573	1117082	1153859	1186411	1270249	1131327	1099138	1244373	1330829	1186808	1403221	642265	645473	1929591	1909496	1654756	1646648	1872091	1820848	447456	461842	470864	485242	471554	439540	499902	510061	521772	561007	509643	516996	428576	443659	781016	579795	898213	949797	729878	791768	1024459	1178577	1066267	1088456	1084399	927924	943261	828037	608589	627201	777694	783260	832832	833420	634192	693476	1570228	1587980	1551582	1599670	1741161	1678259	1680857	1606275	1717447	1755229	1729763	1757488	1753824	1758253	1833024	1879314	1792735	1791514	2324639	2034655	1709307	1718877	1829347	1818538	1914851	1929524	1841269	1864065	1754722	1768679	1826304	1814712	1746800	1769398	1732527	1738635	1690641	1663743	1823772	1866372	1936975	1915018	1958533	1953061	1811155	1843234	1805135	1812943	1838278	1852830	1948720	1953768	1706702	1687513	1838675	1837998	1831143	1834944	1851207	1871057	1515921	1531540	1772907	1774020	1942715	1939636	1748645	1800191	1770422	1796193	982721	951068	1055233	1062372	1040824	1043330	968589	943000	1109910	1129609	1096927	1095427	982572	1013645	1266061	1269467	1165855	1114173	1196156	1184753	1235959	1214210	1228023	1193988	1172561	1185569	1185521	1196015	1287668	1256293	1221428	1197747	1113842	1088819	1207001	1237834	1198706	1213881	1125207	1128259	1225708	1222451	1239392	1218538	1253808	1254594
956.9787@0.8934457	699115	587097	697707	580218	685098	1487664	773248	253348	1466104	504284	701849	399532	733896	530900	296086	1014132	736936	536268	512721	687655	649232	925932	609171	592491	617173	567187	730711	528423	902478	1348095	604304	557245	237243	599138	294559	670321	591706	224710	577581	589984	915258	255535	672118	660425	598539	635421	666351	680402	507565	484048	337345	399664	586808	619906	264829	192595	324985	424789	300109	260555	389856	668072	316767	251405	311284	340083	244669	332957	351663	284327	311571	309568	305179	452792	152195	536286	323661	202704	424827	324758	343595	354507	361795	526204	333300	381135	226297	343402	2073551	405591	389255	408056	368932	321400	307789	269223	1414900	309513	342494	319346	332310	322109	346676	304000	325193	299054	361155	275541	354944	300459	345308	699511	538935	299940	477676	486754	354897	152398	399919	388697	289960	425191	185574	315620	429240	377301	352872	305135	370187	371129	343929	427562	378120	393416	379916	434714	349616	382824	302556	356868	343113	360806	365332	471620	338000	321142	314161	317332	304620	271008	352086	354853	311736	313321	300356	342718	311938	319813	306271	285232	334868	346803	322545	310837	305650	307270	390679	347162	347035	392902	397050	288088	283424	276148	298612	408463	345348	335951	496909	449204	379117	389516	255944	299650	259742	276541	252605	266096	273378	256995	298424	290905	298136	279992	400700	281460	281589	359660	351691	356385	340912	335665	387309	419919	351183	330488	326921	282098	319088	294983
LysoPE(0:0/18:0)	861585	623626	154895	260716	134174	127936	146747	77757	365055	224538	266850	297025	919681	354561	950250	557301	2819406	501176	818163	368813	449605	605712	134256	108779	316744	131722	172525	91129	181897	112192	93238	92677	114564	110742	57251	46200	84792	97045	1385857	963257	116481	115400	107269	104309	393399	396047	544269	288564	117050	109346	48132	44320	661109	261237	48823	37470	145712	137208	130465	91681	65182	58972	213486	84795	68574	58579	41244	19948	72370	37443	240486	116920	51210	36544	29819	22631	74685	62264	273853	220252	2447469	791480	249823	117390	100612	79900	92391	79297	140982	147575	234712	144773	36813	39872	331717	112607	322745	134440	106514	65602	408395	245961	73064	57795	540372	89793	27366	26343	259481	141230	91669	95995	406062	70370	103841	137401	46322	46644	65824	65288	40890	42783	56159	54282	66592	72000	54317	57108	97872	103261	68487	72224	97073	92357	170437	163441	76890	64563	79892	81464	88174	101779	81226	78655	53483	55474	66957	68061	56968	53784	53605	68536	69207	65294	191749	168792	50665	50950	73217	72668	83073	80305	99295	102020	189716	180127	164528	133467	209006	123945	120137	78714	162448	88874	694416	509880	80818	56803	63423	58173	245317	155382	74131	69890	115333	55800	180272	97360	93250	77814	102567	91040	90404	59860	84418	78940	177660	67669	73139	69686	681535	75687	65744	44095	182613	88599	448977	717937	125159	78818
L-threo-3-Methylaspartate	5563531	5488485	7184953	7080354	4319558	4305161	7907958	8143973	6705399	6480492	4816139	4867897	6111736	6035236	6886944	6683827	5654159	5792597	5886403	5999466	4172521	4232079	1.07E+07	1.08E+07	6094127	6158241	5915305	5842824	8712784	8862462	240725	246321	505325	498085	167641	171435	729540	734621	1202525	1186195	336715	336403	149353	158393	313576	317018	736409	727207	83255	82790	350581	350082	1216830	1196891	59378	61562	410206	402182	488264	491017	479610	482823	1344418	1320882	300819	299221	330248	321233	265757	250687	774839	797559	307893	290621	349070	348077	267540	253581	554788	576163	920959	932017	679118	719636	355609	358116	2067356	2045481	1425494	1463377	1153629	1191338	318677	364795	1194383	1214080	988030	988119	574064	556352	1006126	975788	468849	486144	647902	631242	241475	238265	585198	593514	473690	451715	961630	619580	1399728	1434088	1819748	1839027	943729	943023	1416530	1390637	667949	667074	2030654	2010711	1506981	1493301	2575099	2565424	1708284	1726218	2857725	2781464	1948153	1953407	1587136	1585236	2291384	2278205	2364678	2379589	2385494	2359777	1033297	1031914	1985671	1996078	688173	681509	1879790	1849282	1013902	1011517	1740422	1725596	853642	871427	2246519	2155716	2475639	2487954	912811	941317	698327	684749	677563	709704	821936	803480	465451	459013	1228929	1234865	810988	824019	1430477	1454228	984716	955553	959408	933679	662119	671202	1427181	1464530	1699167	1700151	854000	813597	1631232	1634066	1633647	1635429	984901	1013284	1369902	1409751	935958	932890	1271403	1245634	679174	710914	1205054	1214572	1832560	1867220	1532096	1521258
Methyl jasmonate	142154	103364	50853	51692	41454	90113	37613	45246	78705	56977	44600	57808	110691	87563	115963	103255	261670	85334	66930	67505	63388	63870	42199	31901	40198	25555	33369	34692	91292	32372	101814	108888	114490	115469	84087	109319	83617	89504	49524	56289	146857	129627	84366	111957	87897	108296	94753	87772	17452	92209	142556	65218	115394	101428	59598	19348	141793	146730	55653	49117	88175	96669	20578	20635	83419	72743	16918	19716	39009	37623	56000	33591	131251	129485	74916	65614	96572	95136	215336	207618	246846	136659	114312	119410	100291	77443	29026	37274	42392	44395	38393	34918	94172	101983	61486	61468	120191	89244	163416	167933	124156	92141	104244	112206	159175	145813	36075	36721	176582	177006	103348	116304	126676	123294	119645	120245	166423	162968	333626	327669	122892	120914	85746	85181	87200	96496	103008	97768	109313	111004	84196	81264	139239	137593	145020	144989	146096	155180	58298	58612	57639	62795	58144	53164	111238	110097	79980	84201	49647	50930	135097	130658	83422	89610	529167	530943	79023	72581	307008	312032	77545	76857	98675	101735	48562	45947	53203	50958	197129	198794	133747	137310	106376	93004	127436	115678	346736	337785	30355	34057	24875	21997	38023	35957	115205	105334	219929	206868	97511	97459	53177	63713	65429	54498	76097	78042	109232	97348	36662	49437	193056	83013	95618	97048	59045	52039	43827	61994	96133	88112
C12 H27 N9 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90809	92263	112646	115176	412170	401707	61349	59818	72780	70794	50799	52365	1100346	1083242	25921	26665	34593	33826	57588	52923	132813	117784	552058	553312	407452	402997	51667	52737	1205309	1188018	780419	794716	702119	708433	42079	47674	663132	669378	505782	509854	41981	43808	307148	316964	119499	115269	109547	117835	18466	19939	87532	88774	72434	73275	136511	135553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
336.068@1.5645381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1020721	1009778	486078	495899	1013351	1005397	439999	443422	324263	334137	266647	256633	1880376	1881018	578268	549879	416882	403832	562336	562322	413062	428347	1147863	1127929	1744942	1830780	79803	80621	1845829	1828248	1453844	1454549	722198	1528182	1	306224	1031210	1029578	2198798	2188651	493885	484527	1055910	1018120	515263	507664	503113	505568	148667	144148	1109363	1170571	904603	864141	639679	572820	1	1	1	178798	425136	1	65433	87521	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	309310	1	1	1	1	1	1	1	1	1	92439	1	1	1	1	1	1	1	1	1	1	1	38145	1	58813	1	110500	80718	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H20 O4	159565	166256	109668	105547	111915	108374	115323	101675	126713	123614	122964	121484	120638	119822	128890	122239	145361	131907	112375	106995	146098	153234	111812	123778	123341	117902	113317	107555	127885	128935	143814	155068	114385	123485	118631	118487	124554	132196	125014	122562	119070	122414	128875	128165	124539	127935	122139	118481	118073	113299	67435	57858	160508	153472	118675	116997	161670	156030	38542	36375	82867	81316	49459	44264	49151	45746	48490	50106	46233	43695	42583	36973	59420	54618	60793	59752	69711	76241	70377	64590	83129	73554	89329	83885	67346	64074	103286	100759	83192	84217	53367	52549	41578	48678	144563	118151	80630	71050	105999	99305	66098	61665	61890	59338	79968	72915	46299	43566	80755	89327	66756	66612	1822398	142537	79374	85392	71661	70727	63388	54536	82158	81452	58541	61759	59810	63733	75180	66805	66526	68354	76038	78553	86384	85031	63492	63113	148894	155306	86999	82083	130028	129141	76844	73061	125582	129988	178023	188324	163525	157237	99819	105794	125585	124775	69316	76252	68953	62513	76037	78390	102576	102452	104939	98389	67476	65356	59276	58804	70561	66149	77923	66558	69053	68395	96027	95976	100636	96066	86922	76855	80838	73701	83913	81166	104277	100729	117036	109256	96222	97349	96338	96407	81329	87222	93802	89735	102680	105418	78336	76506	116311	99824	107602	101021	92785	84030	82739	91050	109767	97762
103.9641@0.858544	1699154	1620154	1830279	1702914	1693792	1636552	1645894	1587665	1845590	1779015	1834309	1807998	1858682	1855645	1537403	1553709	1687601	1705225	1615180	1714506	1680826	1675524	1580907	1610202	1698380	1761737	1723626	1656425	1620270	1674752	1922106	1938977	1918922	1929024	1879658	1931011	1945566	1966013	1896911	1832209	1959399	1917214	1845382	1894723	1853586	1862417	1852852	1946161	1896591	1852805	1412530	1405865	1920275	1883358	2095267	2044264	1980936	1886473	1461253	1467917	1493393	1610840	1285399	1334087	1653016	1669376	1721373	1759875	1609904	1691183	1159113	1186946	1110913	1062367	1537533	1569524	1664684	2076423	1963374	2021618	1424238	1380034	1503379	1467102	1742460	1663994	976198	954087	1013287	1076499	1082874	1087057	1178367	1080852	1071733	1067775	1108251	1188563	1537351	1544345	1199876	1160776	1372974	1369242	1400130	1412710	1637327	1648872	1347920	1333381	1429760	1435994	1430174	1512616	1931056	2007675	2150880	2173651	1759695	1720821	2178367	2183430	2161261	2142453	2190549	2202511	2094381	2146060	2093917	2170481	2195378	2258007	2134942	2080608	2093576	2099180	2277614	2268638	2146657	2209648	19823	2232839	13267	2201013	2360519	2302450	2179528	2194854	2380032	2315648	2255163	2288625	2279951	2252201	1649382	1553865	2186744	2092794	1773525	19945	1933089	2073666	2147309	2254710	1193439	1187912	1270268	1233484	1176530	1134794	1562152	1643812	1205150	1217887	1292507	1321008	1649480	1658335	23168	1484608	1442756	1380330	1457720	1459506	20647	20369	1374834	1363213	1481166	1522449	1350599	39790	1517106	1496209	1480897	1517721	1432855	1358632	1528700	1542225	1477724	1392194	2014057	1980777	1477061	15575	1360735	1357441	31315	1446619
278.1868@10.657124	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10570	16257	16919	18178	16434	21621	17441	20947	19342	14057	19799	19807	21983	23025	22474	18687	19637	21536	19025	22341	1727837	26197	30619	23478	19803	26404	51654	22378	30380	25598	19509	27848	19894	18229	26949	26039	23068	21564	21628	47976	23717	24205	28201	21298	21960	21754	29949	24281	18073	31019	21109	25230	31571	27136	24297	27387	25027	18964	25498	24420	17479	24480	28307	22692	25707	18383	25868	25043	19870	23213	21148	22264	29442	23734	25050	19999	23405	24697	20200	23210	37382	36847	23483	24658	27882	36709	29882	25987	28223	25025	26212	26499	29908	26061	31903	25290	31004	19452	29739	41744	21146	25508	19952	20152	27283	23470	26183	25132	33506	27127	22772	18998	32390	26003	26175	25449	30880	40351
218.0432@0.90584385	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	821001	828902	631049	589438	904364	883811	763989	782643	799926	799042	580635	586782	990213	991263	583386	545754	861957	830989	954024	870691	611057	619713	676870	645078	808141	835648	555712	554734	927427	934458	862272	896056	954748	949324	275235	438809	970033	954843	1035796	1060638	753907	754744	889997	896400	699948	701018	889537	852852	693841	686691	670071	677710	819191	807489	1319528	1114816	312936	309596	329300	318849	297621	303997	261743	262711	238121	237929	189197	190023	464827	490442	187103	186364	255143	247427	203458	210180	307437	308708	381950	373129	271867	279721	256030	253526	203960	208195	342208	331160	203569	210636	443939	466946	277783	280531	356764	355339	284262	286796	317716	319020	394640	394234	176051	174738	389240	409236	528997	511125	574141	580639	748598	734282	406995	392300	973660	992069	729286	737145	986714	993506	837857	834286	905651	876597	630373	634855	1086438	1074667	1046156	1020083	744043	738127	1225273	1219953	1030513	1021700	795643	789453	971120	976407	825194	822306	973204	916741	654111	647116	988815	954146	1275324	1255875	1130998	1094190
253.1436@6.4264555	56229	82894	73942	82060	63061	64852	73874	58534	68539	66750	66287	69742	47721	70574	74820	68812	94942	73011	68979	69925	66647	72872	70681	75860	75712	71496	91695	85576	88725	78277	72743	69036	69788	72243	66994	61341	61803	73996	71992	77377	70871	82828	64298	63091	70686	88287	87989	71834	84396	75361	56605	53577	73425	74414	63677	67801	73615	75680	37724	42188	40568	40831	38401	40259	41995	40231	36895	39621	42303	38070	42451	41050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12550	23570	31237	33104	45286	40321	37133	34241	41009	40421	31602	33591	41181	38879	27528	25578	44106	42269	32948	26693	1	34061	115072	91704	57927	90295	100712	90090	95883	77402	91966	91618	91155	102512	56334	94434	93814	79171	95576	92469	98900	102380	99360	102578	95065	98763	95862	96096	95756	93674	79661	104199	87940	97881	94087	89181	80131	89576	93427	99135	92015	106865	111608	100204	91640	88987	100976	100961	105554	95815	89551	104702	89561	82247	83528	81241	92777	97888	98153	102211	108363	111861	101306	99616	108452	110436	36935	19747	43891	39277	38550	39692	55642	55901	29529	76443	49237	54429	69299	67753	66273	62250	62818	54496	63957	63990	63195	62127	98944	72789	64124	65382	70022	68757	76401	77294	75645	71771
Zingerone	105733	107081	117802	117080	111170	117567	113743	115396	116191	115222	118767	113452	105665	104601	98926	99923	102314	103052	102684	107198	110317	115581	109528	120721	121151	126332	125862	122069	126887	121787	130337	131824	122471	127438	135599	133679	128413	132813	124716	132216	119818	128360	120749	122097	119819	125481	126791	131443	127155	134841	139766	136714	140275	140817	132770	129817	130005	128234	75774	78265	80655	75492	79751	77858	73915	68506	72069	73949	70379	69037	73351	68089	133457	136126	105682	131764	122505	124350	129833	122114	124428	131415	125508	129449	135583	132226	137045	128046	139599	141864	136072	133323	107552	144292	141652	149844	136276	138106	148881	132961	133906	129342	132164	137830	134953	134076	136704	131059	131215	137556	137543	126066	7305973	151562	133768	131115	128056	134406	131291	131026	141487	138965	134557	142892	132532	137708	142546	138839	133379	140502	137097	136603	138242	135346	133479	137459	142468	130399	143090	137495	139303	135539	134869	143317	134621	135935	140257	141438	143143	147093	132027	135055	142867	141796	126832	139165	142637	132364	138287	131364	131211	130904	169366	138991	122230	126884	124786	125699	122142	133851	130489	134093	122432	131965	118643	132008	129561	134288	118859	114094	111820	122168	110925	118209	112359	109641	108551	107816	113493	105001	115511	87800	113911	108966	115696	111390	109125	114056	117745	120043	110201	109718	116296	116277	117829	116635	118016	121574	111203	104044
Glutamine	2272323	2305868	3365181	3437503	2066179	2009244	2906443	2903856	2481178	2410794	1602707	1594986	1907874	2029629	2828115	2809484	2324052	2262323	2111887	2092918	1476166	1502844	3082339	3155323	2412488	2552225	2316554	2326580	3460607	3678392	223301	228230	280149	279292	149448	147516	254537	249891	419079	418345	342448	347668	137132	143136	341373	344637	349801	348538	83732	88475	193924	200131	571276	552757	49856	48484	455549	479553	481347	478392	787021	813488	1130556	1150715	572940	580604	692958	669146	697054	674601	1486330	1465316	535428	511965	536681	530777	446765	368676	457430	463737	978947	1008408	769767	823411	650764	673094	1815784	1825514	1848624	1931161	1168873	1167264	660780	793757	1405528	1408434	1200365	1230805	546287	564452	1811936	1815527	937242	942691	888590	891451	618772	648072	1091055	1117996	726310	736428	1371388	1200395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.1466@9.486429	201302	202742	191489	172124	187740	181512	189142	200118	186628	192162	183092	193489	187438	176362	171923	194828	206881	181940	189335	178236	193957	185004	175522	189417	180269	189767	177700	162429	167112	192493	172596	188049	188707	190293	165862	168339	181611	179235	192200	197341	189441	190604	194257	207205	183826	202379	186977	209299	185458	212785	227935	203786	225895	211526	193214	215859	205561	221965	111932	119785	120418	132638	118339	115826	109459	112336	127720	120075	123654	114710	116607	112157	1	1	1	1	1	1	1	1	20511	17801	21135	29463	16414	14308	38717	46694	34125	40540	24871	21545	34162	42696	94401	73340	46061	44255	67692	64655	46090	51761	50457	42211	53228	49955	52027	51029	59259	56011	47790	49824	1846614	83664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H4 N4 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31876	27727	39056	40730	112133	109341	31740	27906	39457	36866	32145	33411	95114	98647	18489	16697	30424	28072	24043	22709	42773	30645	82771	46480	96200	101049	26496	24542	125504	92205	49651	85409	38607	42524	19780	22403	80006	113798	51238	1	31970	31378	100566	102820	35891	37244	33218	35561	22659	23301	23625	11239	34802	20546	43995	44151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
S-(Carboxymethyl)-L-cysteine nullnullnull 1.15928	846729	844826	684430	716736	362963	343587	737451	734786	867078	853577	421196	429043	780065	750956	625995	596759	780707	753341	683161	664475	295440	319991	1044889	1127912	470020	485460	521847	518220	786240	769192	151803	144644	217997	233039	88800	90183	110491	101450	68724	77903	220780	212788	83912	90317	162738	166418	113277	127277	33590	32874	33563	33189	196826	199115	19911	20973	364133	373775	581392	544757	746618	756877	813012	772290	497684	508056	287704	289849	341656	340924	1997649	2009601	335093	300804	649495	643941	713418	749256	1300997	1433716	2933647	2906801	2046312	2112366	508874	517296	3078769	3055531	2107901	2301345	1832020	1850373	296664	584363	2655059	2640220	2270129	2301652	797948	777099	2231584	2161371	1132735	1156902	1085821	1099434	428774	423540	1051134	1086734	949568	919402	1323917	1429551	482481	472677	873770	904840	581503	577014	1005138	985208	251523	249866	656395	663789	682989	684847	867382	865903	709944	693067	875277	858846	409043	398876	389449	391830	730238	727148	1001504	1023335	687968	666427	369205	361072	632193	631767	353057	347582	1029164	1046260	317123	321689	669816	666245	501607	500769	1064696	1031612	998851	1005501	342024	355013	44861	39085	35414	31587	180993	166828	126385	122482	242687	249788	30963	36374	204412	211952	27963	27851	20821	21820	20226	21907	232719	233320	476248	492140	75125	77431	156469	146844	274138	271660	37932	40202	292402	284281	18925	19625	190821	177382	104504	100103	118024	123220	43443	43633	206691	207530
C8 H4 N2 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	141796	145085	143485	143774	676573	683042	83823	87821	84995	80331	42595	41282	1084373	1117145	77019	82037	53504	54519	89860	76203	130610	138579	696315	735414	456790	478518	39199	42213	1622663	1611213	1016359	1059928	887251	917129	212620	217798	1072855	1063350	664017	665659	88398	91195	511350	504073	180286	188039	165386	160101	32951	27006	149552	151019	125093	128613	199785	189272	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))	313206	292122	173909	199687	173157	166749	183411	163340	289591	243122	162505	172518	324524	223585	340860	264289	911077	272678	324353	238709	254247	297786	236879	242119	251208	188578	238870	222240	245630	244542	15962	13005	18450	19712	57397	50527	44868	45075	540601	492809	58505	55855	13511	14994	12208	10362	321013	281308	1	1	24002	24484	274025	211433	1	1	37576	36444	111260	112481	95554	109131	349306	294971	35625	29111	68509	61308	55299	41934	423068	338450	52596	47023	37097	37735	39880	38611	137240	131825	1734612	815594	445581	342746	63364	59230	437019	423236	503344	516079	523116	453838	72386	76220	587242	426996	572330	473084	108496	91534	510883	426163	144378	141699	255813	130470	46791	39345	224067	170913	121643	124680	135581	118325	15560	15646	22061	21027	33169	33191	26440	26498	11830	13428	10812	9346	19207	19033	16686	15595	15528	11878	21117	21324	21685	21472	29748	28619	1	1	1	1	1	1	18495	17839	9141	1	1	1	22782	25213	1	1	136537	132361	11472	13027	25130	23897	10204	11976	37147	35346	128392	130970	124453	112228	1	1	1	1	117869	93394	249758	193073	86228	76297	107632	100345	172756	140051	93237	88636	189506	168158	39714	35058	100826	96138	145797	144162	106944	90556	123490	121018	122878	101543	113568	111922	294657	127808	1	1	195050	147973	350434	437599	138448	115928
182.0929@6.244774	307616	270871	114622	109845	143514	85587	82178	80152	127722	71379	181631	144977	210393	251599	268317	295465	436729	187275	231432	165763	41314	206875	116085	90711	100430	103706	19867	62553	71822	124722	210352	198087	225904	213652	123047	119357	239674	194445	211340	193644	292811	305911	172813	177552	114538	136293	286722	262094	17249	11955	172064	262255	365033	309687	84661	45211	272855	240219	113443	130000	237300	229968	90646	72411	148296	156135	68516	72746	156619	151836	75271	95663	261939	281816	154972	164635	144939	172726	296986	308838	537438	369337	300428	290538	252540	244531	92391	73235	130070	124597	107790	108459	232182	224836	213501	177564	238369	219637	272400	248945	258886	249525	193195	198272	285729	215618	69274	122480	397940	397759	233813	200005	1203596	261374	353324	327030	256801	250422	346152	353274	240013	243625	197595	192850	207625	191599	143702	133907	191271	187181	165296	161090	270112	245450	339657	346519	391597	364205	130870	131465	97458	95423	109804	107285	262461	253712	131708	125215	79255	87472	214491	236699	176719	171268	520758	501646	136572	130119	265059	253031	112925	115365	192430	194522	74612	113433	77026	78305	198106	186992	91631	82558	168995	141031	160655	185136	249845	230904	66671	75379	28051	45855	72139	73564	162799	141081	330653	309682	176160	145100	92499	91182	88831	94689	126270	130921	175684	170965	59937	71768	222685	101342	55594	45919	104508	73124	98493	97353	139953	117941
Gemfibrozil	60652	53118	54082	55730	58430	56197	54315	52277	50595	53052	53191	53869	59076	43820	67034	51872	124074	55547	57325	38237	54035	63394	54033	61115	68781	75641	65960	66706	61854	65016	65858	67582	62581	58553	78712	83018	71841	67712	65609	68219	65932	62444	73694	76190	69720	66217	68442	70487	69406	74275	66154	69189	67637	82664	90726	89521	68048	71247	16668	17004	27985	25905	21966	18302	20667	19014	17777	15294	20717	21473	17171	17160	1	7873	10213	6601	8657	1	14737	11031	30355	16362	12652	11802	11064	9964	12221	9251	13309	13304	11487	8896	15295	18221	26062	22979	21191	20342	38179	29836	20255	17612	20750	19399	26267	21465	18342	21205	28751	26962	22237	20737	1520003	32330	33893	32282	31187	34389	30766	33120	35099	43104	36096	39099	39374	40872	37233	30409	33260	31257	34347	34006	32945	31782	36871	34784	47632	50459	32671	35373	45053	43121	36065	33424	47935	53828	50617	50649	56191	51400	46969	72520	51944	53155	37100	39618	34044	36928	31964	31173	40030	36807	44124	41339	59358	49829	59806	58623	56424	53795	54452	55602	55519	55694	63538	61770	60745	61386	71306	66992	68551	72473	70991	72717	68868	65798	56888	60581	63223	63153	68708	62990	61102	63879	62933	62717	64481	57733	73007	68791	70408	73577	69830	70304	67273	75507	66189	61795	70624	75261
967.0082@1.2131504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3734985	1.13E+07	556794	1	1	1336600	1	1	2791285	1.44E+07	574913	1	1578964	2129876	3448725	2429456	1682435	2501099	1	2851825	149121	1	1	1741931	245222	1008433	1138356	1075025	377863	980800	842481	663199	1021334	1	74326	83130	4981830	20731	125407	1434802	6733030	249601	862032	528227	1648097	1457825	1263207	1085252	283914	781928	1541030	1	1318889	1270499	1467616	1354448	1	1390929	1478405	1391183	1	1	9557159	1	1	1606037	1	1	1	1	1	1	1	8474488	1	7154446	6437908	1	7707466	1	1	7955917	8007320	1	1	7028889	1	1	1	1	8139024	1	3052081	127015	1	1	2312872	1227133	2840285	1	1	2002692	1	2312205	1	1	953510	1988067	1894971	1	1568334	2110444	823169	1095170	1770068	1776929	1701845	1	1740474	1734103	384597	1743287	2881162	1	1890789	1191151	1	5638164	1291727	1955956	3344834	855069	8910577	2019181	1830184	1761733	2017663	1932298
199.0572@0.9854376	1104247	1085831	1136422	1131515	952331	942120	1124797	1131616	1116350	1081898	935366	968203	1000011	980573	981017	1000483	1085302	1093286	1063608	1011654	843689	847651	1066731	1142107	1017583	1078418	1069175	1058918	1127555	1137471	44849	38324	54995	51964	56327	58228	43603	42459	29896	31916	51473	55119	48253	49658	67427	69025	40942	42546	32512	32507	22450	21450	52428	52335	20382	21908	59219	58696	1313362	1329530	1357650	1355836	1492955	1487881	1321520	1235830	1393634	1407160	1317769	1326787	1605243	1586210	1164961	1136994	1159130	1137336	1201884	1213461	1290768	1316065	1449841	1372241	1368827	1339137	1072132	1095609	1224435	1212676	1234539	1251530	1339427	1329731	1211442	1258804	1530903	1528978	1511802	1511795	1192348	1197143	1447459	1430420	1397163	1417393	1390825	1409310	1114688	1111252	1341090	1331059	1336436	1303941	1664283	1610902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3''-Hydroxy-geranylhydroquinone	708565	662707	264508	266879	257442	231648	226558	219055	298200	289557	364106	381328	726557	596179	875993	763611	1074218	512497	539895	401228	412889	431221	234938	224606	194634	180966	201526	186496	171904	168436	146237	148644	211934	210641	158778	157048	241957	245013	243721	236347	356556	361011	181613	181643	81029	75986	313571	283458	19602	25015	201122	191242	408664	347248	30526	30420	290943	281749	201353	196787	377247	414394	187745	149200	218179	214116	81730	83695	261497	256521	332634	262461	386577	383548	310230	296325	266036	268332	593869	583167	1559621	925886	851684	774960	506189	496676	218924	194530	324712	341728	299279	282366	355911	344602	475085	405660	702089	653906	490024	496870	671841	644776	443332	445296	643032	549195	253584	247131	787407	773722	435558	415635	502832	544715	210963	218644	287924	300150	309589	312416	266943	259504	138869	141915	173062	169154	148290	138110	182554	180345	127768	128201	233013	236949	252988	249857	284683	310085	95480	86999	84474	81614	89622	93889	202607	210211	102065	104119	63431	62031	274519	278183	98636	96351	609492	613895	113775	113068	222262	231295	120332	118501	204645	206728	132567	129232	119147	124084	72421	70662	42915	43327	251156	236281	305761	281343	357343	338415	87579	87091	79920	67172	90013	85221	245959	237939	317217	293380	238432	232073	121616	114124	113358	108037	175598	186729	212732	188535	89374	88092	343601	188035	33354	30437	132687	104446	99751	151194	198481	178558
128.1206@8.06602	39577	38139	58133	1	1	1	1	49837	54005	137446	67210	1	65219	93688	106524	83547	79035	88870	77075	15501	48138	1	91991	68437	71868	21923	81957	70672	51679	83054	75888	91210	39238	63448	86641	92390	85857	81936	79678	112571	170266	81175	43967	44849	123770	91450	78275	99707	49320	83727	66426	33973	80083	206601	91519	1	72696	93514	35325	1	1	1	1	55853	1	39181	1	1	35317	1	81901	43291	49297	1	1	1	15219	71921	50757	473323	1	47994	1	46117	1	1	79415	50550	1	83569	53596	43207	32465	1	55095	53590	95119	82902	69368	1	67687	120529	23365	76359	1	1	1	54357	1	47339	47959	38946	1	37237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H13 N O4 S	1	8063	10077	9578	11125	8215	9384	8898	9457	8476	8914	8503	1	9907	1	9386	1	1	8782	1	9308	8633	9417	9367	10543	10526	10459	12694	10227	9672	1	11198	10505	10230	9558	11336	10308	8932	9724	9711	10398	9304	11525	9299	10967	10544	9058	9060	9909	9537	9678	10011	11167	9978	11108	9279	10076	10253	8983	9662	9462	9331	8810	8766	9900	10785	8808	8683	9127	8320	8757	9577	49891	48897	48165	47896	48553	49490	50790	53066	39553	47084	49430	43682	44643	45096	37806	39746	38925	39709	40340	40636	34992	45520	48775	43364	45498	47287	49166	49960	46292	46895	45190	46696	48926	49004	43141	41422	47780	47096	47124	46430	1394369	51760	14466	11309	12947	10418	10569	12801	10934	12325	10966	11477	12769	11369	13114	11272	11767	12827	11718	10999	11857	12361	11972	11926	12472	11791	12680	11702	11663	9369	11974	11993	13810	12052	11991	12313	12950	10961	10383	11837	10172	13338	13346	13150	12024	13412	12107	1	11945	13117	11003	12095	67227	60685	60422	63059	64847	64900	67289	65325	66323	64343	64747	62682	66803	63730	55159	43236	36530	31201	33230	31021	31715	32878	32968	30354	28728	31444	31355	34040	31816	33106	31690	33849	33820	29550	31825	30190	32777	33509	31663	34110	29204	30203	28915	31081	29314	30151
311.9091@0.88136363	718939	749486	641950	646546	1022204	1017452	669448	660690	929392	893518	997840	1009112	801426	817998	525961	531951	817954	825445	776160	781315	1031335	1057039	434300	437747	1019648	1039841	855967	843543	540143	553182	1593694	1618344	1761237	1780189	1924156	1889646	1889150	1879666	1258067	1256399	1832685	1828680	1377047	1443699	711743	704731	1055579	1076865	1619358	1673644	997371	1092414	1270935	1271838	2360282	2382910	1759999	1830676	948463	948835	678313	663661	505779	502142	1040546	1028349	1042304	1091486	812633	817533	344602	343284	1096418	1068897	1366019	1312641	1142316	857871	443149	476892	95245	97052	340651	374361	709563	730798	209464	199312	237125	240294	297246	306789	384912	471665	308173	310049	407863	406878	1085118	1074493	451842	457461	807119	820716	824878	832568	1367840	1384859	651222	667830	977478	958595	965474	955044	214162	213968	252066	257020	252777	252754	263303	246472	269873	268657	242441	246379	223214	229634	180939	179895	248479	256630	185084	172508	189045	183203	258561	259768	201655	197818	271185	273760	217465	210519	295755	297117	242331	241759	289773	283998	264619	266077	252181	250159	146914	144936	238831	234087	221590	224790	183325	183415	211523	210128	111530	108879	182836	184101	177730	175369	257180	250535	155598	165252	228042	234577	155582	159694	199632	202162	233347	217308	218597	217066	176760	176048	170391	167291	248665	251696	151940	145782	222837	225889	201378	200714	208199	203725	210335	200446	193504	197075	135919	148425	199043	201768	137823	133517	161185	155609
CGP 28014	14731	13963	14034	16331	15287	12175	12861	10815	13693	12697	12498	12588	13968	12284	11750	14962	17125	17538	13715	9579	11770	15509	13455	11973	14972	17220	15592	17850	12402	17527	13514	11894	15021	18085	15188	14512	13835	11530	15691	13619	14533	15986	14284	11783	18650	15850	17030	16143	13033	19267	19337	17291	19084	19939	17427	16551	18972	16673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13632	9576	8043	10220	9768	8858	9390	12276	11211	13692	1	10113	1	1	8389	1	1	1	9900	7535	1	1	10371	11487	8285	8582	9513	9743	11685	11275	10829	9937	10274	10027	8584	9691	11570	11486	10181	10616	1633039	11371	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H2 N O S	244340	264166	263592	287352	256099	264753	244000	246880	296659	318828	284430	299332	260674	297524	194233	194925	332793	313305	260584	273692	242605	241976	173512	214712	281809	296612	213765	242654	203411	225178	318025	316593	354104	350947	339886	312953	337052	349263	273954	303176	337109	333540	262705	276913	194059	231551	252386	259917	274404	275243	152155	152855	316585	303791	365781	356297	368268	378503	254568	268637	249461	233089	275734	276087	280311	281945	282856	295304	324222	275964	256592	260129	242053	233481	351208	336755	375229	402748	283762	293797	218972	186332	249080	255453	280195	290833	250907	257001	252680	241083	281490	270348	156224	174439	259482	268991	302545	302756	292745	292994	294876	286372	265066	268762	270787	282573	342259	353194	224495	230480	350623	351172	322948	317827	246830	271417	309932	319838	316979	298346	321574	315730	286861	269843	123235	283702	279807	267067	239988	216574	300517	306964	216688	238176	241868	242843	310908	325477	276993	292160	320000	325500	282369	246867	344980	344417	268452	273831	333980	316649	332242	365153	305322	291619	208656	182342	270178	280723	336960	316221	272205	259281	258143	255522	149608	168229	184445	164520	178816	179082	229156	244999	199913	181099	211674	219801	180910	182060	165345	191139	190568	172419	165592	189970	203877	195719	202894	209924	196171	199184	165759	169460	239440	239042	170544	190731	208748	182225	181303	190083	246585	198803	167097	163866	168630	193742	161886	169009	178715	187100
C6 H2 N2 O3 S	1118399	1116656	1089291	1079165	859509	836164	1119683	1066791	1074584	1077555	763927	791615	990664	1005327	955028	946925	1049615	1049166	987041	968213	716710	711470	1194017	1254695	927884	1013999	949227	976815	1121055	1144695	439659	443395	550144	530795	484199	477204	400183	410533	530672	526038	640347	656130	438449	446320	591349	581559	570102	569048	289135	287510	407718	402431	666753	651073	122261	127149	967908	1022258	968462	947245	970947	981323	851172	863928	966366	935966	1037257	1005697	975756	871139	608258	693368	1138396	1195860	1162319	1149787	1089457	810139	666450	707823	499687	525105	612461	769564	824608	848832	633468	637307	662082	815510	726986	814960	1070042	1159572	940590	920835	1030048	1064208	1296828	1315537	1059619	1009791	1254129	1292797	1263256	1166607	1308000	1287959	1148029	1226908	1253672	1264642	1487217	1234805	1218339	1303004	1325582	1301547	2458101	1295348	2513930	1248904	1324896	15073	2205951	2155980	1291598	1287552	2574198	1239382	1329213	1343252	1305880	1271278	2316025	1317371	1391033	1343476	1329768	2585949	2654590	2395525	1199163	1286484	1395811	1282260	1364534	1326912	1450690	1455531	1363743	1351219	1411475	1294288	1270725	1261385	1267337	2207892	1368984	2859998	2713689	1328120	1367754	1280047	1593514	1105011	1237257	1524222	1140318	1642718	1315685	1569447	1951515	1238963	1638840	1677210	1886821	2042664	1374899	1685926	1715571	1795474	1640390	1615466	1259657	1239144	2295274	2309266	1709902	1762001	1234705	1910045	2246538	2253505	1700576	1691798	2183338	2102887	1325218	1697244	2030045	2093783	1417879	1708954	1287311	1934933	2169293	2217007	1231989	1675333
[6]-Shogaol	36064	51498	55883	54436	54149	59260	59146	55345	51309	50089	44227	50182	43371	33352	17954	86398	52062	42423	50452	34876	42694	46464	54162	58045	70817	73901	68307	69210	68452	67798	57191	57276	54971	60217	60889	66478	62217	59631	53187	56188	62785	56015	59974	59275	58450	49388	53573	57599	59657	66530	82564	74569	53844	53930	67018	70578	54587	50304	21930	25145	21509	22090	20240	21225	21122	22800	20387	18427	21592	22737	21536	19144	15444	19247	21581	19557	22480	23075	24995	24027	15355	24088	29147	30477	33065	37147	33603	37743	36731	36293	41605	43549	47254	52904	50057	52162	46089	55090	48133	53934	43197	50091	53788	56072	40636	59509	55718	58563	47085	48400	56301	52881	1299240	66778	55460	55287	55986	52013	52897	51618	58731	54699	63145	57488	50654	50263	57999	51548	53464	53852	56916	60478	53448	44074	50989	51857	53828	48918	46135	52814	50799	50719	45670	52329	52425	55948	56371	51143	56399	56872	51035	52999	50297	56085	45504	48845	52952	54453	52832	53267	50914	55510	58060	50243	73742	69154	71651	65697	61987	63663	62639	62199	69946	78173	51401	51371	66905	69224	76956	76497	76339	70698	76083	70878	63359	64918	62149	53941	57454	57804	63032	56084	57858	53380	48090	53845	46129	56066	54006	50237	33046	52207	51913	56582	44373	48913	42782	40981	50141	48250
203.0271@0.9355413	598530	608277	542649	557153	721880	700746	507113	515976	756234	717054	747376	733483	666199	647651	451529	430123	718114	715411	649768	646617	680849	680702	330656	351118	713843	763520	565366	558419	389428	398404	893402	888299	846962	847195	877691	861230	903192	911393	699177	690905	909322	913956	801974	807678	652333	640271	680545	678622	842176	899415	697029	700935	751240	751603	959802	957775	926914	924919	1349283	1348952	1177212	1140756	1331757	1331124	1368861	1353239	1435136	1446035	1197304	1162449	1266594	1295591	1018096	962631	1455818	1475169	1453708	1442452	1101174	1141975	509059	481186	1033661	1075588	1087535	1091386	904974	886815	895551	925239	1098668	1098854	779170	802457	1183661	1179525	1319289	1329310	1314690	1306816	1197268	1186555	1200855	1229100	1342969	1330812	1455288	1448880	927479	935207	1285831	1262987	1617551	1588310	352402	358894	370744	372865	396922	399569	406069	398848	340965	353412	363145	363113	360999	363064	314193	311667	385114	397479	300947	305778	346189	356129	418482	415167	378856	371160	409969	406273	333837	338219	426530	425956	359373	369807	429688	424142	415851	436399	386979	398634	276964	271126	359932	364869	449666	440954	341983	340752	354643	351905	252108	260811	283652	283602	258198	265578	328666	334830	287085	293578	319849	329784	274367	274378	302716	299134	334423	330187	301156	304289	310360	316958	339656	346319	353368	363161	265485	253830	402366	407509	301706	303540	360187	355304	305603	316510	338805	340572	252483	246160	317506	315575	233982	238576	278551	277877
C15 H2 O17	800782	797669	754460	755928	1073026	1085266	729208	709690	828024	801654	1014813	987782	912939	877936	882135	887018	743864	740813	843459	850173	1081772	1079770	638932	659638	978770	1024657	952721	946918	719174	747548	1791948	1785572	1792988	1777874	1861614	1855720	1873633	1867171	1782940	1772120	1839699	1807085	1891668	1931648	1888832	1914648	1826513	1863641	1991383	1993135	2043454	1969077	1891699	1891229	2087248	2073453	1869232	1908556	573764	560596	633272	631159	313882	308011	788379	758137	749426	748022	753110	746394	151643	154715	1225647	1201676	1303031	1267733	857472	403491	258239	292963	138140	161562	225328	267540	674334	718616	114701	120957	216711	213500	227631	228818	644560	681042	305374	301018	432503	421922	1296233	1301654	555683	553182	1007409	984807	981482	980025	1406865	1381814	982212	975124	1080007	1078879	1324450	1063358	1307441	1295771	1334416	1312252	1223753	37978	1243689	1266896	1380425	1396849	1267470	1251195	1305307	1304946	54231	1243982	1294328	1307976	55349	1255694	1278172	49401	1297554	1290828	1281579	1260605	1285675	1275005	1277062	1293760	1354078	50228	1361392	41254	1412766	1426883	53130	50120	1364340	1372085	58568	1198289	52015	1422774	57469	1158474	1321201	57050	45999	1418068	58852	1409349	1490661	1472086	1361406	1363424	64111	56936	1159165	1169917	56187	46813	58637	58397	1640533	1581477	1493571	1505858	56173	58391	1328488	51691	54781	53759	1583118	1562606	1251173	1243471	1184308	59316	1581921	1573159	54303	50043	1578880	1608809	1349485	1325065	1764850	1753575	1369242	1387551	1243086	1216858	56725	1310749
967.0077@7.529003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49963	1	1	366753	1	1	1	1	149116	38498	1	1	154737	219749	498709	27127	1	268001	490708	460144	1	1	369147	1	61683	231527	1	72306	1	65771	103278	1	1	35011	46667	1	43790	613199	40107	1576441	1	36403	40339	202529	1	12191	53320	30042	166955	1	1511833	1	1129707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
173.9654@0.88251	779779	769024	617664	607124	1200675	1177694	582013	607847	983043	939452	1289001	1283316	911992	897653	615322	621246	766375	786541	835284	816170	1291418	1296602	413269	410140	1131770	1102878	971960	970606	512563	508808	2529039	2488388	2352178	2393821	2812560	2796128	2716800	2648626	2149547	2161942	2546179	2541233	2574403	2607202	1468403	1432934	1834833	1814913	2869808	2914795	3314546	3344174	2133885	2140318	3458707	3473744	2270715	2277893	1179363	1173721	872849	850319	511732	493876	1381307	1396419	1382378	1369208	1205198	1203698	309108	307892	1239942	1207660	1462689	1442447	1256192	1024815	489583	510135	120503	119190	302121	299148	903000	929019	198660	190787	204343	216110	239258	249306	422901	487998	249320	236150	296007	307993	1027120	998924	311750	308891	691919	659141	654584	610759	1411666	1407864	529750	518044	850275	819658	660279	687523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Carboxy-cis,cis-muconate	483079	497277	232042	261953	138622	69527	152294	162530	193155	197600	103512	103581	254053	245046	286007	305471	156279	174535	268742	268904	146583	200138	215631	276938	33596	24605	162583	177595	92802	53843	126166	77117	240647	203393	418522	411990	163612	166346	412418	416774	238387	252840	196454	176240	201152	127548	216082	263329	109747	116765	75887	278178	501552	518335	113477	72447	298965	292570	696945	671153	495655	503065	1294277	1229000	988750	987085	589516	604306	435668	428685	894198	884093	316187	368098	491518	504816	591149	632125	846147	898582	982337	911588	1130712	1142561	641353	636988	1282045	1308928	1290771	1339903	869878	832212	297829	326504	1319745	1317711	1141467	1179609	766224	778513	1624872	1602842	597596	606846	591409	589473	595009	598741	514566	528377	415477	389762	684453	619139	177882	188146	243851	251313	238284	258025	254861	246797	200954	184923	241653	235206	260044	268366	326152	328144	227639	224704	264978	274524	202499	195424	180344	183324	226672	217567	228486	259601	204259	173000	117435	128409	285272	286365	388055	374900	296229	304813	341248	352301	323838	317592	230564	238700	372667	364571	257363	248220	370237	379956	461990	468445	406179	412934	391120	387954	254235	242206	613108	697226	374043	381368	630280	606275	360662	374018	508346	504445	380671	368671	708219	711044	536833	538374	446454	447888	1138487	1113144	664695	654648	432471	424298	575913	557405	405541	420578	630435	620998	295578	311376	604738	606761	869944	854794	688729	702274
336.0682@2.5982494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	338924	170550	177285	1	1	1	1	1	1	1	1	1	1	1	1	142246	142460	215005	203835	147365	145345	425191	428644	748974	750362	70150	71187	801878	815202	548408	548337	150658	587242	1	143426	488071	499709	960473	924885	194941	195242	429167	443327	199581	211804	218885	217914	53985	55845	533052	552278	395910	390601	1	258762	1	174866	1	1	1	1	1	1	1	1	1	98734	1	1	1	73963	151182	153485	110777	108491	213828	215313	160908	155840	112970	111750	92896	99826	111666	111508	170943	171229	57875	57634	85768	84669	64892	64908	118813	122293	197250	198756	41548	89988	198888	194957	1	84110	109704	109666	21949	20332	38182	33145	62363	66566	49431	45770	135998	138645	39970	42407	102262	97019	32469	25742	73781	80490	25061	25041	138494	139904	252965	247792	58559	60921	139154	134812	197313	195932	38367	33817	157282	154124	23334	21563	160304	155171	71890	73031	132718	135500	174367	173850	176058	176772
C10 H2 N4 O11 S	923123	926776	914023	902129	1176313	1153808	859564	844786	941105	929796	1052820	1061919	1019437	1013960	1008495	1001885	868051	866523	941791	945989	1128285	1155432	778183	799869	1051176	1096851	1047227	1044405	850503	881420	1610462	1630524	1658266	1624844	1739089	1669774	1719338	1704866	1686387	1650075	1683375	1662351	1739366	1775062	1769472	1750715	1712537	1711502	1805672	1826041	1879695	1813898	1766760	1731179	1839330	1845954	1724256	1751537	649038	642252	697572	683860	395055	397541	842575	826651	813567	819219	802505	813500	215077	210231	1275156	1259157	1310346	1300454	927413	470493	328098	368818	193671	213018	315908	350817	717558	783926	169283	173780	283703	285729	308380	309628	745362	780901	403805	410053	543632	538498	1312516	1319712	678494	682314	1069431	1067128	1068308	1038498	1402131	1391399	1067251	1069948	1149574	1140940	1387491	1147001	1257484	1318070	1339421	1358680	1256962	1274539	1293662	1283793	1398714	1381379	1301726	1334929	1330705	1303820	1284599	1290385	1285002	1332076	1315032	1237721	1263404	1269588	1280238	1290233	1291449	1240731	1272535	1266932	1262928	1277509	1326417	1334514	1332266	1331535	1394888	1388290	1317970	1330627	1344648	1338561	1206978	1213849	1393175	1385301	1196188	1178693	1341557	1282003	1342841	1372044	1374195	1387016	1443464	1425771	1359179	1355483	1588219	1590813	1216604	1207731	1422623	1449077	1450554	1483628	1566955	1528517	1448426	1459797	1585424	1586744	1340429	1324604	1095916	1119384	1513982	1503363	1277538	1263124	1232028	1245878	1491677	1503205	1208995	1232184	1534578	1553340	1340309	1318761	1701003	1652215	1368032	1386582	1263959	1242416	1322079	1326606
?-lactic acid nullnullnull 1.5332376	415051	515484	485307	679310	249810	263749	490137	581703	424489	439342	270160	436723	283559	304092	635605	406967	459940	555192	307742	333282	425396	310357	403012	489443	269462	261459	392218	458486	515933	542128	29694	26258	41628	41719	1	25674	1	1	1	43918	50089	31954	29834	1	1	1	25838	1	15670	15427	1	1	41732	1	1	19235	43585	1	577452	460383	110041	1	1	267236	1	1	84366	190717	1	1	1	1	73989	44112	331722	305533	217247	70036	324914	369715	1	1662839	1	1269748	1	1	1105179	1	1939945	1	2269640	1	1	1	1	324702	1959694	1918002	91491	420328	239327	1	118292	102515	145977	1	57368	259899	163279	160177	136391	120997	138150	1	71450	1	69789	74475	118034	111494	161148	1	77972	70691	95332	135733	99206	1	126081	135217	115842	1	1	156799	108508	1	136166	123173	108718	108544	119247	1	111605	148494	81516	1	1	108098	58304	62388	114936	92330	72822	74554	155686	124474	74204	65500	215277	217531	167527	153935	90221	94442	1	18539	16734	21612	1	1	1	1	1	1	21541	1	12978	1	11717	1	21488	1	1	9757	1	41797	1	1	1	19964	1	25396	57347	41387	1	1	21059	30326	22425	21707	29932	1	1	1	28585	28324	45748	38218	36827	1
C20 H45 N15 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	86957	89844	109987	112745	397678	390744	65932	59942	70514	71160	53671	49115	1019575	1022847	23796	24214	38931	38434	59623	58300	139684	129512	566120	575978	435968	429275	57329	60168	1208238	1179508	779218	788454	727418	711264	41525	53080	699303	700472	538021	550675	50012	49731	351228	346853	137944	139214	133772	136362	20965	20941	102007	106686	94174	82550	178656	167162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
60.0217@1.2836407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41152	1	812182	1	302870	559631	1	1	1	1	1	1	1	580152	729992	1204978	1632043	94223	151447	286966	124051	87123	192521	3201234	191451	1	219979	138468	351994	86132	779547	719281	1	138271	900021	37189	236782	135143	281387	175559	45422	15816	104910	268287	166875	121754	196944	40661	95835	159569	324876	166981	194095	664318	1872123	241023	54488	68452	155600	69676	169018	43671	103841	220945	95472	98090	439442	47657	118226	37438	109322	260584	238912	37842	51961	172138	59872	413049	77779	173611	90322	156286	298089	293285	142120	136667	69821	124012	87589	177368	1467343	290591	76825	201749	298280	67818	192349	1233097	96210	261668	252386	466323	63398	190503	38137	250188	195876	208365	104760	96886	58057	1	27582	162487	161178	131334	114923	241662	1	110238	352976	71352	72488	247993	73232	204291	186167	36075	202701	240662	1	73906	182999	187381	178115	60833	96542	85767	108859	142413	1	131621	317663	102209	68538	240172	153739	83728	147119	194364	214253	214482
C33 H50 N S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53274	57102	43468	49227	58058	45732	53710	64528	55299	48544	74801	55643	69997	62480	95650	108311	84931	70286	73246	112735	161680	150147	1233383	1136404	1627605	122383	109788	96542	80692	77099	68455	83796	108369	104580	171591	106762	342845	118041	196073	127882	153014	105707	173810	141098	115201	111910	395903	149617	116323	114095	212334	139116	117358	99478	1713420	150188	167935	205320	149277	148299	205384	183892	173084	156535	136191	117545	200465	150127	154447	153052	159001	145931	155300	196339	195988	167727	291916	141139	149452	182804	195053	168493	165711	215715	178704	456537	127037	227219	145168	130112	122649	111973	254715	135955	130483	127261	371077	238186	147452	159690	155337	147052	167468	169065	216477	121174	233660	245366	251762	237878	305591	255963	253692	195556	231292	196005	792213	2099288	8902755	1287191	366050	205446	944700	246567	224732	215868	216767	252881	456482	207847	198533	194843	201715	186037	192479	770420	219811	210741	342011	201713	217524	216588	478396	809850	262010	220942	276861	190336	288731	967483	158469	1975075
Theanine	27782	30868	54213	56224	7291	8516	55347	47852	55602	51957	30708	31741	38285	30673	69496	71722	12822	17400	24788	26028	1	1	34664	52252	1	1	18281	18132	85351	93257	27680	27543	9699	8834	25285	21471	90444	80246	150642	150190	30695	29431	61127	60238	13456	17917	21247	24943	1	1	10330	7602	189717	195611	61676	66916	59601	59813	23489	24001	48448	48126	505898	489586	40109	41083	83796	85531	72112	67263	1344781	1351017	36690	33030	14257	13342	34492	35335	105437	114745	799036	754510	597386	615051	119943	115941	711942	720631	729117	791892	1317727	1331029	35361	48619	1305708	1245414	977506	1019039	21949	20336	351654	348519	119532	119787	347579	345174	45421	46101	212488	225226	22849	19358	178859	167195	50727	50071	24274	22413	22067	19505	1	7293	25484	28613	10428	9118	14316	16293	1	1	50882	51717	12518	10142	64731	54285	60550	61289	10815	12320	1	1	15148	16901	57015	55452	23988	26909	24489	21709	1	1	36479	36550	19618	16788	34362	36636	19799	17534	1	1	33144	31631	59834	57803	101369	99562	183557	179057	67733	66360	1138096	1143679	281668	287131	269638	274430	74857	75815	133685	132687	39820	41054	1127326	1168183	1811385	1860900	197131	199048	776090	804538	2409931	2434890	31215	29183	1644727	1628676	38624	42336	1249747	1222607	90007	87409	1008851	1019144	1502591	1533871	2013691	2008908
C13 H18 N O3	31737	31688	34497	32586	28186	32613	29198	29451	26078	31721	24761	25014	27613	30698	29410	26705	30392	31458	25326	29499	27716	29341	31277	36571	35893	33722	33972	36590	34798	34389	32644	34055	36166	34182	31547	31654	31913	26979	31833	29712	27785	26784	29834	34700	35768	35218	26956	31382	38262	38541	33561	28652	37428	29296	38975	35408	33152	31096	11764	13123	10577	1	12597	11662	11018	9189	8940	10805	9114	9936	15177	11353	26194	22219	22597	21031	21262	19897	21430	22827	26871	23747	22577	22860	20942	20314	24298	22448	19632	19874	16926	24187	17835	22470	24851	22028	22873	23081	20315	18691	23136	24848	22546	22097	23530	22263	21879	23516	22162	20402	24471	23427	1281885	25474	39395	36242	35657	33555	39179	42748	36320	41256	42539	41137	37135	39374	40388	41857	42720	42679	41172	32784	44662	35205	40042	43345	35690	38701	37741	42050	33079	31384	40656	41963	36538	42230	35991	34866	36193	40931	30183	31068	39654	39901	33461	37308	38529	35166	39335	40551	48561	39741	30481	34421	37290	37891	43155	37490	43726	45877	41648	47926	36607	42674	38255	43952	31824	35753	34295	35954	36386	30661	32498	37953	36188	41605	37235	42783	31005	28515	40220	45637	37418	37845	28005	34496	35039	40379	30984	42422	35606	38337	37216	41539	29496	41428	44138	44534	37366	32239
699.3955@11.409373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44535	47010	66458	65355	40972	24493	43094	39441	19348	15418	66164	54223	115456	76235	37201	31210	63363	47773	44679	37960	157255	174765	1337109	443906	169175	124364	104632	101011	43225	35250	60972	71263	79244	60283	36092	32061	150723	70698	181542	112240	87681	64819	189728	159945	68781	63536	284951	78568	42722	42411	171262	104373	63631	64724	142894	64729	43802	36229	62826	67786	24742	29073	34399	39405	22614	21091	38464	34071	52489	46075	59876	59582	38697	42404	48798	58364	57614	54504	38533	35010	40104	41668	58297	59035	44143	40095	25777	31755	47614	51555	22768	29344	53390	59997	36095	44637	63895	64276	28473	34105	39891	36313	45529	49574	50654	53128	25052	38209	32764	28739	16967	25025	1	1	46489	24521	92205	82962	40767	31491	1	1	13746	1	16843	17906	38334	26144	46397	28674	29329	28134	16134	19420	17162	1	21280	17505	47238	20447	1	1	110694	18720	1	1	28628	16219	1	31286	26699	22961
142.0252@1.3064617	1726103	1755195	2723493	2801719	1642808	1576302	2558498	2525993	1868710	2032753	1510530	1539152	1579999	1586340	1526359	1482446	2099153	2259263	1741321	1625853	1412348	1462251	2182480	2234024	1793232	1902994	1839277	1875836	2799290	2794082	1307136	1284095	1371870	1302633	892766	878774	1156571	1144762	1223338	1204983	1248588	1249734	1294123	1334459	827011	823756	1449426	1443878	741700	741048	389942	408309	1599473	1519328	690738	652053	911892	927424	1	1	1	1	439423	354406	1	1	1	1581485	1	1	1626000	1680458	1450748	1340602	1	1	1	1	1	1	783644	659387	501075	437127	1	1	1336156	1602166	963762	966612	1409142	1442887	2040697	2053709	172686	171169	990904	954133	1	1	429940	117099	1	2032061	2657271	2627810	1	1	1	2076853	1	19359	1	2870643	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Malate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	142886	151952	282095	290565	705230	717586	136362	138042	204374	210150	172945	149995	1131338	1190677	314493	308810	136956	144142	135250	130191	295466	329787	885152	743096	526025	532575	192653	190349	1350642	1422033	982976	1009180	1068100	1113445	268876	64138	1028287	1101013	601701	606826	201639	195916	638177	661101	365337	370206	507091	462639	100684	99763	620251	615842	112483	111135	376238	486228	134978	137326	78577	75660	32719	155739	54553	47702	141054	143331	38040	41229	68117	71180	40242	39819	147035	146548	27023	29987	32986	152856	167735	41809	31878	149702	65813	67449	36604	39940	150991	157273	72002	69165	72413	72598	52146	175779	66913	69110	30197	32210	35756	38858	79477	76088	27141	26708	60183	58382	166371	167339	224630	230450	224993	227707	162109	158514	375650	377087	301159	299754	334758	340807	182342	168235	341240	329964	122605	125559	522651	519234	516767	531878	251731	253915	523865	519767	446936	436864	166536	165884	422956	418188	152010	159415	451938	430598	188590	190912	376757	385046	791056	780520	419468	422609
127.0113@0.8876197	319923	312641	297109	300435	229600	217578	303955	303681	283996	291846	197702	227488	258596	263898	282878	271037	280980	274741	255648	247758	185457	191369	361166	377375	243425	260193	258191	263779	320922	317367	88333	90314	115167	108364	94898	98448	80464	81011	112920	111527	135441	140179	85475	95269	144187	141288	128527	127455	60507	60909	101502	95188	158022	157141	26857	25947	208853	212746	507183	498961	520686	525745	928227	943052	441244	446928	436276	445943	299341	309177	1114913	1127134	499051	475261	403849	384843	471531	423992	543123	562071	935816	940718	796749	791507	294753	318006	1377928	1382726	1084337	1133825	1013873	1033698	595396	601216	1183256	1212227	992927	984574	492154	516132	853330	858894	657314	663698	604829	596328	283565	282277	617924	623443	570375	574613	745491	712171	224352	218147	181662	177282	232624	244613	205812	211359	125904	118875	231025	227008	238717	241533	273861	268709	206975	203375	269454	281807	250316	251233	207729	216232	240152	231573	249820	237793	240832	246470	165228	163824	206058	208102	122689	116612	231150	226474	166819	174749	330963	335604	133571	141314	354760	347568	295816	283514	169075	162032	79585	73883	70495	72060	124320	120221	56248	58528	213279	220956	85828	91193	162866	154273	84018	78120	107888	105771	58094	56625	208524	208113	296691	294783	93262	92448	206963	207837	234096	242133	88649	86792	235959	225791	79722	84651	209510	204747	93121	91733	192974	204135	250625	263848	246663	240965
Glycerophospho-N-Oleoyl Ethanolamine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30662	20668	45724	37133	70619	27285	58732	50483	26458	13314	28824	16923	56173	22937	47629	38761	30317	23059	28073	23871	187812	148711	1089528	266584	74900	29183	35332	22843	10037	1	32654	35768	52446	28857	20717	19778	76614	19709	102646	35223	75096	51673	103818	58881	38375	32342	512947	86397	10680	8900	124686	58922	34409	39098	62824	38580	1	1	1	1	12487	12980	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24402	49983	1	1	26103	11642	1	1	1	1	45985	39135	31894	22332	57327	44732	36415	20087	28662	18675	128000	98579	19540	11983	18746	10225	45111	27530	17790	19463	32528	13266	38211	20688	26969	27588	20279	15064	14759	12324	27019	18013	37037	10883	19179	20588	138700	17151	24931	17566	57207	27561	81334	137915	32121	23830
79.9661@0.8809991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	865463	837394	815568	846458	1029737	1015101	758873	741344	709712	726072	679943	698285	1336398	1333698	929422	899651	737898	735893	700407	689503	828600	869477	1163054	1128819	1020108	1037233	743706	750813	1461472	1431463	1244600	1272655	1194535	1256322	840460	948561	1467420	1455443	1309981	1301486	1001717	973358	1169907	1199729	1154432	1152046	1043590	1013053	769791	757728	1166994	1164385	1007500	973403	1274354	1096055	1	878821	763640	762851	1	1	730261	1	865910	856381	817901	834364	853955	1	970371	1004987	806914	822463	1015948	955372	1	1	1	789401	851640	862269	783939	770652	967203	979374	784614	1	900076	879779	794924	772944	1	754713	893968	883711	855048	1	935224	962632	1	657368	950297	945317	930186	948209	602993	1	654881	660950	1	1	671070	658672	1	1	668180	674458	832393	844282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	910630	643399	1	989856	1030239	748690	1	1	1	1	1
204.0511@0.9399996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1006301	1007789	943814	952689	1251773	1232920	1378471	1373103	971189	980614	962271	948650	1184007	1164538	822223	777534	1108662	1109827	882258	927249	1327189	1323970	352707	361634	1267278	1285376	1055012	1002284	288491	318696	459772	498819	1096956	1087463	722803	780379	398701	409645	1161286	1174394	809898	776727	1351568	1345055	1340697	466710	1336500	1329051	1084625	1084170	923628	943673	976222	968884	1256944	1219172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H45 N5 O7	181053	189174	192032	182502	187073	177270	168886	170886	172080	168505	166266	167249	171032	167989	155983	162338	150662	171015	162670	158527	168944	183625	180735	197060	210254	214662	207115	220066	199827	209838	200582	209762	190648	202127	247739	248585	210149	202237	211931	212243	215489	213998	210761	215452	210247	201291	206909	215203	223001	216811	234226	222645	216064	219950	214870	220080	213441	220723	81333	83282	74193	79389	77579	78776	84119	79971	81563	82944	79450	77089	76171	73861	207729	185541	185627	189583	184116	190154	183702	179129	159958	178614	168855	168671	169662	167471	163008	158028	161881	166684	175034	170907	159036	197887	203002	195066	192770	198357	213899	203555	202244	190354	211997	205058	194148	200624	207873	188805	203800	209011	203112	200176	1402435	220703	48030	49199	49154	50212	46639	46147	44362	45973	48226	46844	47116	48235	46191	48218	47989	49305	45302	50985	46415	48628	47323	44781	47159	47826	49030	47226	47766	47126	47912	47285	48086	43833	47479	47337	47482	49308	47357	51560	47141	46439	50217	48345	45316	52050	46117	47557	48150	47607	49636	51623	592877	595619	625040	577381	605773	617387	640437	619724	580342	601329	577429	593628	624440	616859	370462	352077	342366	344841	340638	343632	337610	352417	324854	328572	325457	338876	347310	344940	334884	332848	335576	333422	353449	333199	323375	344611	335133	340822	343763	343201	337688	343510	360236	344017	355674	338572
tridecanal	173798	192269	460611	259068	208844	309395	156085	418140	517722	167142	468383	377441	31063	280097	297549	178473	341485	88276	167190	424691	192709	177652	384093	230598	195424	1	456814	178638	422568	1	381948	431233	170287	117667	153808	512047	125885	187897	262897	76891	351091	453886	165154	397958	402818	216683	447530	199630	167214	442335	530687	88637	127889	560245	276547	587465	208218	597080	121355	56246	63781	238691	234826	98994	111952	71754	248301	178982	170812	84968	130448	46951	198328	341395	277618	321082	34214	173808	304581	319193	217044	358020	358957	281945	324346	328239	282879	278238	134354	150345	117552	278403	250880	127982	346401	106893	156354	74039	348013	286407	99883	335451	158985	338263	132984	374563	415349	376170	138576	336917	142751	104963	4257156	160703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
521.9177@0.835018	605755	597710	562882	555816	832729	828148	497033	487033	580011	593341	802966	785160	712068	711208	649146	642827	524453	513604	590070	593613	805311	819189	436050	447507	733226	739423	703672	683090	492268	510589	1559121	1518322	1569136	1561160	1633131	1615110	1682800	1631562	1553630	1528168	1599475	1519092	1689515	1669479	1678106	1630489	1533721	1622942	1686059	1761051	1880803	1825682	1689730	1681601	1883675	1892403	1634532	1624902	440132	446487	473685	485105	203163	210475	618980	604447	585969	583009	590334	583902	89818	88382	935480	925220	1037288	1029272	669513	305842	188561	210790	83770	97515	171189	193240	541313	584080	61273	62134	129505	137965	144393	149023	466871	462149	176694	182317	283704	273088	991269	1000309	368930	377580	718888	728100	731729	732916	1125548	1135175	740277	733789	842470	842992	995977	800735	1182960	1174422	1200809	1199511	1081017	1114939	1126633	1139190	1269533	1275743	1117841	1133728	1159363	1156017	1136985	1118620	1150432	1164455	1102940	1103080	1128389	1131879	1139864	1150076	1150246	1116794	1113567	1090892	1138495	1135104	1212766	1209237	1191498	1190681	1268512	1245364	1144762	1147944	1209659	1188100	990236	969998	1237528	1201616	945940	935712	1084656	1059858	1144911	1234769	1176760	1171927	1241460	1229757	1119451	1133840	1487458	1447024	921538	944808	1248468	1223916	1233883	1283268	1417677	1395983	1275313	1293770	1487273	1491287	1110314	1089366	836479	847199	1388628	1352890	1028053	1013466	933474	960801	1405564	1386387	965086	972167	1396223	1424564	1111522	1104090	1581028	1565885	1151386	1162283	985075	992762	1110075	1122221
7E,9E,11-Dodecatrienyl acetate	35829	36840	36287	30856	27765	27567	33613	25836	29124	33856	25025	26959	57808	30657	32981	33579	38978	30725	39478	28027	29537	33310	33576	32328	37223	31103	26337	32424	28726	34485	27440	30228	30645	29795	30067	26128	30063	30586	32867	31103	27899	31037	38172	28690	32649	32028	25887	34108	30139	29486	25302	26599	29930	32545	28173	32354	31880	33855	14391	14404	12284	14077	11463	14301	15201	12399	10392	11394	13923	11910	15343	15385	31928	25266	21872	22583	21015	25372	30288	27153	28354	29938	28387	34659	22230	20800	22448	25740	26968	23375	20393	23682	15896	25083	28803	21561	27759	26484	24676	27965	25333	31916	24466	25514	27592	23445	25393	24151	28432	22680	24814	26602	1105691	26343	30357	28773	30195	29935	32830	31581	26879	29098	30444	29269	32296	27139	29824	27855	34577	30198	31913	32058	31797	30969	32135	31126	30792	31708	30896	29270	27015	27707	35048	30048	31932	31117	31467	27271	29220	32363	28685	25297	29602	25543	32982	31914	28125	31753	30687	34752	34053	35056	25230	26714	27484	29786	25321	29135	35492	33061	34865	33015	30379	32542	33271	34695	31412	32529	28155	23671	23682	22290	27997	23670	26741	25344	28061	31417	29078	25705	25197	28362	25531	25774	27232	21682	29964	28475	25954	24651	33327	29594	24516	27584	25479	25078	31357	30670	25501	27111
2-C-Methyl-D-erythritol 4-phosphate	1061112	1108001	907366	894680	745435	757853	1089505	1090264	642068	653740	598617	641007	993082	1027804	1667544	1664078	696223	666527	722708	728152	812514	841257	1098696	1093478	774603	777023	970270	1019002	985927	972867	3528783	3515309	4785037	4586912	3637304	3593587	2972649	2948589	6072589	6024127	3610420	3596676	4837846	4993443	5899016	5945977	7341022	7397463	2329733	2257856	2691424	2799683	6587316	6319007	1661620	1591558	4010022	4105370	596332	609970	499836	475987	742068	808329	733262	737125	692333	680604	598121	626549	1008366	1030572	798310	734713	630761	637336	786551	647675	658863	662987	1275792	1178257	1045710	1070482	609778	592755	1197625	1180649	1176621	1205652	1097053	1104590	325232	540356	944678	992681	1231559	1220690	931638	930320	1250546	1239200	770009	767196	1118248	1110563	483318	473661	1072069	1085802	974629	1008440	1479349	1231982	523920	565068	499637	496542	416705	423021	221580	220580	310513	316665	151481	153334	1106131	1126313	258435	258535	276327	279853	291073	295044	517034	543953	542966	542025	381228	386094	179781	178928	265663	253390	358359	366350	197563	201903	731961	800616	236594	234026	622253	614879	621724	636389	561778	561096	554068	552181	180509	170228	836871	888980	1368059	1317972	1574800	1498311	2091703	2066516	840755	801530	2873775	2848865	2019107	2002221	2790356	2736457	2323176	2212278	2320314	2326269	1681919	1696190	2986845	2840081	2874192	2854941	1896594	1854969	3375545	3393093	2626323	2645689	2228618	2214438	2790591	2674542	2302838	2275550	2701494	2439558	1706658	1690768	2678792	2660705	3575418	3783993	3190908	3216248
Citric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19524	1	116298	107260	389954	379023	14520	10532	26878	30162	23426	27318	668443	698240	11276	13940	15508	16693	8054	1	42512	45509	504684	354737	116281	138184	28278	26255	1192860	1247275	590691	598786	610008	602978	1	1	651600	673832	208482	204096	17777	18160	287969	288060	59893	60823	65160	56034	11132	11908	64282	64590	15287	13499	90890	99684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0229@0.9335251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1474816	1467176	1235286	1271613	1680623	1637274	1314055	1317674	1431406	1439572	1320303	1315652	1615667	1615118	1218638	1146042	1542503	1574546	1393370	1426405	1114514	1207627	702586	714522	1246598	1297332	1093210	1073645	1621349	1617452	1262548	1323704	1532813	1543603	868119	1041176	1842456	1807292	1550243	1574790	1410837	1425988	1446936	1510395	1665782	1766175	1907471	1879357	1492992	1514691	1398242	1421216	1534254	1424062	2102226	1925147	408550	430884	470452	432069	495632	501827	535456	494197	416484	407452	425196	430646	408945	420852	369373	332002	465160	487734	360625	363412	425767	446236	502899	531124	447444	443087	521127	528727	393505	392449	544786	554072	426281	443225	539901	533544	529665	524801	477756	483403	323095	315229	415586	447354	580020	582221	409997	409417	416753	433019	282515	269129	320534	308341	285324	288418	358570	366275	357158	330213	361819	378614	347934	351165	356953	313653	439799	425736	321572	349545	432760	441969	470407	391119	413241	412381	358057	345271	502856	556254	323702	341182	433457	436558	346965	333485	442394	453343	251417	264194	421951	419622	338559	351268	330454	341296
144.0043@1.020592	863648	881475	758871	822772	615262	658058	695321	711895	810890	796719	593623	633045	762902	737455	970134	804462	523398	720147	765541	767744	616015	741473	791905	811032	794716	772866	784855	704754	670482	660555	1056330	1082025	382277	430550	1058433	1174208	1122333	469048	880166	859182	317295	341989	554024	513969	230847	766191	329328	865651	332175	977164	640353	619359	1066949	1086551	1060639	1198876	1034968	1059744	1029007	1088938	990647	940843	1296900	1299430	1460677	1434919	1059521	1053991	1023953	984905	225323	135355	954486	860655	1168325	1282979	1205821	1266694	1540588	1580262	640736	501010	1438473	1404476	1235557	1210689	806442	845343	656004	682561	222297	305129	865912	849818	382570	405857	1299695	1319711	936605	1010149	1512652	1494957	614122	611570	683526	644517	1239758	1231680	1065552	370283	1111015	1055301	1358523	1349993	23327	24633	1	1	16062	17832	10947	10103	1	1	16026	18664	16101	1	17732	19896	14057	9731	26638	21890	26384	28440	22827	26609	16181	19141	15013	1	21103	20305	1	1	1	1	1	1	12436	13103	1	1	21911	18377	1	1	20191	21290	16564	15035	1	1	23474	25977	1	1	1	1	1	1	31806	35512	12329	15672	20389	1	27213	27670	39004	36809	19593	19192	31907	33503	114561	119021	15259	15811	44563	45213	90982	95674	16485	1	72018	76541	1	1	29451	30522	1	14821	29517	28679	101036	102700	47103	41359
450.3191@13.380218	329843	454159	272841	379090	184884	336913	182849	95632	281361	219367	426797	258611	419820	313744	748475	666326	723273	1241807	482411	166196	583777	666928	302939	264818	654934	368783	409727	293367	247190	300172	113192	54126	133480	54959	59807	70930	74224	133571	366847	492689	172566	117062	65111	52467	134635	131264	440044	272201	75292	114543	181600	90056	361185	325866	97208	103156	161451	97208	25985	27938	15307	11367	11919	28682	21089	10348	20372	31643	22295	34550	10096	19422	54956	36316	30983	39426	18217	30459	30731	33271	434842	45679	14336	69221	45170	30717	31456	27091	67555	43034	20491	49884	37709	37152	41491	61805	101812	79618	38873	35431	304461	86913	59355	34383	247912	92366	50583	59481	105260	46336	39565	42892	4877051	70796	98876	76779	67957	90000	78238	79476	60851	62535	73140	85888	86790	123117	58998	102092	72399	83078	53107	92581	98238	82663	107446	71362	104370	63540	70332	93046	97836	87353	78614	86965	56213	52253	63144	91753	50506	56727	75578	66722	55026	50419	123510	129163	53311	42695	90400	114231	72623	82455	57747	69182	133561	243523	181882	366788	158096	87942	160018	84590	195561	160569	608059	288044	97681	86492	108041	76421	183016	122418	173645	169361	87917	78487	105848	114964	153211	168906	111318	121856	96921	87931	163712	101593	195803	142550	85478	180256	639537	86098	89836	89227	216820	152315	343160	606154	294665	123218
681.3833@11.780782	248869	124018	25204	34092	21267	15553	19172	1	76651	31269	61615	61714	319969	94209	280255	153103	1568686	290077	227213	99036	111559	176191	16853	11770	30385	1	19439	1	21242	1	31481	31100	42110	45253	14045	16254	36471	53712	150240	184890	52431	51818	56420	54113	73155	83575	249362	107557	18713	25669	13921	1	231355	91406	19374	18427	94564	61834	29726	22235	37976	37219	109634	32488	40315	39239	13645	11640	87856	53560	170242	48007	24596	14345	24218	16519	16347	13953	129297	138256	1461168	501566	147037	64974	64227	52643	17066	1	19796	30746	68373	30503	1	10863	214415	38937	148141	34435	42064	25852	179829	118148	26507	22831	379299	59885	13906	14958	145607	73207	19491	22453	133203	30554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
115.0317@1.2582748	1.85E+07	1.85E+07	2.07E+07	2.20E+07	1.51E+07	1.50E+07	2.18E+07	2.17E+07	2.05E+07	1.94E+07	1.56E+07	1.57E+07	1.70E+07	1.68E+07	1.66E+07	1.70E+07	2.18E+07	2.12E+07	1.92E+07	1.92E+07	1.40E+07	1.42E+07	2.39E+07	2.40E+07	1.84E+07	1.87E+07	1.86E+07	1.86E+07	2.27E+07	2.29E+07	8962	9062	7297	10401	16143	15825	14633	11814	13262	10740	12590	12205	1	1	10170	9114	13232	17226	1	1	1	1	15834	15671	1	1	23683	22935	173561	147593	158589	152834	301092	284862	133263	125425	103903	93720	85762	88989	595230	587025	108318	102613	124616	124236	113126	116717	170873	174747	322077	303111	235528	238689	86224	83474	979820	1016961	515496	533470	440089	421320	114870	103095	446464	435749	388931	377543	138005	135614	258388	257342	212305	208808	175581	192011	67006	58388	144403	145645	164516	157536	1101852	231744	37202	41537	35204	37867	41154	45527	50592	49005	36659	32490	38183	42363	33046	41554	40193	34874	43663	46891	39405	40901	38663	45639	46205	48369	41485	40624	47437	44094	40959	38830	42249	46438	35707	37574	39335	39994	40524	42893	37532	38258	33349	35961	30339	28995	53908	55735	36165	37636	34331	26775	20225	18207	17538	16874	17286	16684	18338	16759	25980	36365	17103	21255	21933	22236	16758	17777	24526	24357	14036	12745	28378	28940	39832	35088	19432	20331	27820	28692	38122	32226	21828	14964	28654	27640	18432	19712	32473	30276	15493	17908	23324	26191	28656	29355	22749	24184
4S-hydroxylauric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107733	114215	107420	104204	111056	249489	112101	110652	115565	68159	1	96833	107946	100046	100654	124555	123624	126577	120403	131283	138037	134376	301567	136292	107139	125881	131560	142852	132444	111821	52196	126392	132868	67583	89680	156749	70774	144889	345618	156618	136338	114289	151806	106829	148588	146112	10610	133796	168478	345268	380476	108895	117034	235973	4385416	137538	132231	168237	150740	68381	179992	181327	375392	128813	136689	122978	112039	148201	394388	177195	170941	151603	170779	168847	154336	117288	162827	159271	145673	111503	138720	360020	100824	155478	112397	149418	177519	150568	153448	103528	42811	160308	128429	162805	31230	124965	108679	170095	164424	171828	101711	102261	152422	155924	176534	96354	187635	171777	190095	124319	208014	184602	154850	184231	201976	177898	173670	193509	40786	172013	129958	153339	155175	92619	162863	101001	355231	187388	93766	162417	128377	144024	185295	96746	383065	177051	192134	164162	121018	165989	374497	169547	142113	399844	137552	377203	186354	76370	197347	79909	1	189506
C27 H60 N18 O3 S	38341	37026	38608	39031	43781	40792	33503	36588	31900	35633	40768	39087	33283	33534	29931	33800	23175	29207	29268	30669	35861	33886	33652	39112	45367	47620	43103	42428	40075	41435	46541	43056	45508	44314	56432	57749	50404	47461	43564	44935	45814	42476	45284	46352	37615	43302	43927	43245	49121	51017	60346	54775	52746	53617	58877	58825	52289	52430	20019	22162	21516	20196	21180	21469	23020	23248	25783	25598	22805	20044	24329	21807	1	1	1	1	7086	8025	1	1	1	1	9807	8704	7723	9619	9321	10477	9783	12517	11611	13339	25867	32048	29632	29706	27488	33882	28496	31068	33494	30443	31992	34961	33327	33228	36049	33480	33566	35281	33213	37577	1144766	58685	36243	37351	38007	41039	35970	36744	39321	40400	38645	38791	34748	32192	38233	37953	35387	36383	33910	37474	36069	33698	34951	33663	37328	37446	33013	34975	35295	33863	34792	32150	37380	34765	35422	35468	35893	36578	36476	35518	37558	35052	34484	34144	39549	37800	32106	34481	34425	33383	33723	34378	179938	181582	178331	176565	167304	176492	182077	174238	113843	112789	167804	175278	171720	177422	218934	221985	209713	206078	209656	207855	188437	188787	166922	162501	185128	185609	172415	164605	165839	161590	175051	175517	160899	165205	164051	164420	138616	147418	156384	150442	155889	161151	152906	149582	126172	123505
314.086@13.581408	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6306	10885	86255	36896	20226	15188	1	1	1	1	1	1	1	1	1	9776	13823	14400	10930	12683	9370	10298	14978	9974	8407	1	30386	12987	8978	1	10871	1	1	1	1064004	18250	10881	8127	1	1	11697	1	1	1	12359	1	1	1	9662	1	10407	1	8252	6758	1	7122	1	1	1	1	1	1	20574	11326	10610	1	14351	1	11174	1	1	1	9870	1	6887	1	12636	7602	8322	1	14612	8528	14383	1	9374	1	11990	12077	20519	15673	14255	9994	10840	8390	21175	11283	26270	27346	19496	11335	10153	10647	34385	12981	17258	9809	12288	13855	12270	12580	13393	7380	10176	10320	8148	8778	10389	10630	11079	8261	6727	9331	20767	12675	10449	10216	11219	8796	14022	24995	16407	10201
Maltose	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	644259	641880	408134	414994	236090	239791	267720	265889	231112	227510	75475	82915	229105	234781	419165	397917	439343	429804	319284	321099	488143	501959	159314	154885	249250	256429	115171	108712	428353	405211	470982	484021	202146	205583	216556	246137	247594	241813	378089	378887	681414	671851	614325	609337	332911	337964	411714	406630	59492	63443	1069332	1073489	568197	553365	417797	365602	37456	38130	23903	23493	47725	49469	31862	30450	37871	40808	35141	34662	33500	35618	56358	56673	35718	35444	31574	36323	44932	42341	40879	41831	38805	43020	23810	21592	50108	52482	36881	36688	32252	30319	78646	75500	58478	60546	66438	68555	75184	75202	66024	63977	54982	56348	39046	35800	98145	92982	31030	27954	36625	36006	27048	28147	14968	15165	4169138	4245997	35894	36908	42873	43688	23124	24381	52125	52110	16789	16241	26896	23294	54274	55396	45342	46515	26382	20904	19250	17744	17713	21327	46690	11499	18410	18094	97934	101588	37172	42963	20642	21708	25523	24796	464327	454610
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate	2.32E+07	2.33E+07	135591	101475	2.17E+07	2.14E+07	3.03E+07	3.11E+07	2.95E+07	2.86E+07	2.27E+07	2.27E+07	2.45E+07	2.45E+07	2.44E+07	2.39E+07	2.74E+07	2.83E+07	2.71E+07	2.68E+07	2.05E+07	2.12E+07	3.35E+07	157209	2.78E+07	2.88E+07	2.54E+07	2.52E+07	3.31E+07	3.35E+07	1	1	26607	26033	1	1	64413	59735	1	1	9264	7367	12479	10492	8565	9369	11815	12155	1	1	1	1	6845	9428	1	1	7407	10121	81540	80251	123567	125481	266904	255325	49757	48104	49976	51947	60795	60380	484315	482293	53234	50240	53995	54752	111088	114552	116411	126178	432948	433717	398380	399283	72900	70167	1048878	1087156	266760	293149	385896	377035	58671	110936	587010	581561	714746	769273	117242	124960	358516	363233	168620	166933	155632	154825	34828	33054	158708	163993	150959	146544	152567	129663	2549803	2518746	2303098	2326106	2777793	2829575	5751904	5726324	1781109	1783606	6604847	6653086	1838922	1870076	7581428	7581336	2345288	2357069	7545182	7577266	3016087	2975580	2931885	2938195	6840035	6975827	8168272	8155947	7015199	6921539	2465139	2444224	2239917	2261728	2341588	2335190	7117445	7187840	2518158	2533793	3609707	3534018	1934776	1951443	4594762	4566542	7092024	7164294	2414239	2462371	13889	8257	1	1	1	1	1	1	19006	19571	17752	7959	11153	10494	17606	16549	1	1	10643	8886	13100	10522	34845	34355	15539	16908	9391	8419	42649	42843	6757	8751	28377	28637	9587	8852	8769	10260	1	1	10190	10348	9748	7926	22575	24585
PS(21:0/0:0)	1985944	1594338	566635	845596	638694	616150	545351	333659	1097774	756845	1135778	1288239	2449782	1047336	2881509	1680346	8163128	1569695	2083204	1146360	1453774	1903975	571463	535128	1284991	612981	661314	446289	598695	443860	25221	21864	20247	20544	15748	15469	19519	18905	81537	57990	22085	21671	17184	15585	67959	64757	88626	55799	16143	17384	1	1	86756	43993	1	11386	22886	22246	71324	58418	40152	40555	123435	74457	44637	36894	29274	26163	28559	18231	106821	61217	40482	38398	23295	21065	35843	29416	183312	157804	1248114	401156	135041	70116	40867	30935	62821	60582	90324	101990	124006	79024	36912	36034	174938	69425	169625	84586	80502	52766	220492	150418	68294	60456	400263	81638	1	1	138937	84400	52589	56392	112636	49825	47173	56626	39453	44647	132216	133364	48456	46462	39186	39212	64203	63020	66340	65001	91915	87191	56139	54178	96180	94853	73687	68292	39947	39514	73874	69029	69559	76520	76281	82299	33173	33014	46725	53258	36498	40571	57291	63128	56148	48547	169670	157436	53328	55637	103125	104731	86037	91937	64422	58357	81234	85551	70093	55098	96039	62679	58269	44961	69422	43322	248458	203164	67331	65406	56868	50726	98299	73864	46180	58534	68232	41534	79331	51886	45330	43413	77262	40751	46351	35961	57330	53122	94274	50036	49835	47911	252923	38644	41005	36245	84758	53630	181166	292428	73146	83580
4,4'-Sulfonyldiphenol	467529	464659	426366	418845	504090	492199	410598	406825	521465	539015	518833	508310	488350	488459	338378	337037	513586	493114	458758	461997	453650	452352	329067	320660	478730	527915	393636	402529	324480	324625	545395	534575	516014	515512	534490	523913	537396	534661	427207	435220	542769	562685	472581	490993	395661	402390	413896	432682	492002	516597	450070	434038	510429	494016	578609	579486	610103	587201	826471	832185	817977	814446	1565874	1578199	803737	800025	800473	798563	648515	640008	1800958	1837729	805916	757470	782202	777245	822474	786340	835035	874998	1219073	1245450	1116404	1165349	623872	611550	2416582	2481965	1834065	1924069	1624292	1674873	864683	886572	2078182	2066739	1585902	1602977	858209	868595	1347171	1357579	993921	1031434	986544	988212	722305	730014	820039	837548	923151	899787	1029551	1101709	676119	682882	678207	703280	773480	789392	766637	751127	635151	622401	721960	711718	702719	696594	641033	634441	722356	741502	637240	637101	682368	654888	744168	751582	699741	703340	766205	784665	650781	648570	725129	753522	648272	667046	704343	706483	742683	736578	663994	660178	590184	604235	616764	615398	885587	879084	671648	660857	606574	608642	473278	474018	505283	509711	481831	497966	577588	579870	584306	580541	570078	571488	486465	489089	522458	507861	590494	567583	504682	510806	582254	579542	699536	714852	592386	601977	501226	507044	757861	766653	527721	530518	706092	693210	551145	515060	615120	621788	440695	450751	586899	601664	476176	481384	575856	560749
C17 H6 N2 O18 S2	461969	456003	439614	432728	686651	668427	383916	377464	467744	458280	643764	626002	562506	556263	526027	517102	404434	411908	486206	471892	686457	691976	335164	346474	590829	585058	557694	548409	381282	397437	1412562	1407128	1406678	1420229	1494098	1476904	1525793	1487419	1384667	1383607	1451703	1430033	1524434	1527357	1504887	1528160	1412317	1467078	1589113	1639082	1721472	1658248	1535402	1507395	1765492	1726917	1490617	1477785	342719	337677	371123	374982	141509	139767	493758	486938	457391	465720	470785	469682	59271	56597	753949	764287	880046	880886	541859	231624	127965	155330	54821	67589	105908	130042	433974	471375	36290	39204	87066	88435	93252	96399	349254	353121	123546	119356	195874	194980	853684	836343	269928	269922	572429	572296	563420	574786	987723	966253	596025	588896	661491	666961	773885	609238	1015780	1009208	1034103	1014027	928062	932478	937823	959732	1114670	1127740	960390	963201	997499	993322	958661	955141	987863	996621	935753	947831	955389	972757	985992	990979	963835	958914	959579	946259	972296	972664	1036410	1047210	1028340	1012485	1102519	1091600	991726	980164	1037377	1041712	832921	839513	1085346	1039396	797668	776112	937433	915849	1000566	1070611	1028577	1013745	1094552	1109807	1007166	976436	1322079	1297921	786080	782189	1081296	1105034	1115408	1123571	1259920	1228175	1104027	1133375	1342951	1327966	919376	908391	655455	676221	1199427	1183585	860915	840894	789766	807722	1235977	1221384	786098	798440	1236065	1239693	930253	932926	1449056	1399948	957769	988483	812598	797508	935242	926551
C18 H13 N6 O13 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7919	1	1	1	1	1	1	9159	1	9645	1	14030	13029	11718	12845	13095	12049	17976	15878	19880	16108	14730	15148	12961	14251	13652	12559	12779	14494	14119	12465	10212	14417	15681	15133	15861	13976	15257	15250	15143	14135	14226	13562	16965	15541	13308	13919	14188	12870	14560	12747	974036	14669	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.0081@1.1080002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1172196	2570764	177859	2033704	1241886	1728005	594009	366112	1	2161159	2241210	989213	1579103	2130005	2577734	2430695	4218857	2501099	1	2431153	51588	1	261265	1	719593	1008573	1138356	1075312	375458	981019	1204366	1	1021562	1	242040	83130	1	335647	467902	1434802	1496275	274675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
336.0689@1.5589988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1020721	1010078	486078	495899	1013351	1005397	439999	443422	324263	334137	266647	256633	1880376	1881744	1	1	416882	403832	566304	562322	413062	428347	1148666	1128075	1756480	1838329	134559	136806	1845829	1836393	1453844	1456313	1529019	1529814	1	306224	1032617	1029744	2198098	2188306	493885	484527	1056694	1018120	515263	507664	502811	504958	148667	144148	1110069	1170573	904603	871407	639679	572820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Promacyl	34176	39702	45848	43134	43816	49299	45732	50797	41915	43376	45179	42343	32430	41514	33385	40245	24352	42603	39453	39669	40170	45327	51373	52202	52062	53013	49332	52437	51082	54339	59097	53430	61685	60109	54329	56076	54726	56663	57952	53068	58855	58149	61412	55417	54211	52793	52151	60043	56966	57278	68185	70423	57731	60571	66438	63281	63116	56852	49061	49261	48126	44171	49063	50639	52450	48878	47789	51025	52005	47052	51857	51704	10138	10922	14065	11162	10111	10987	13767	16584	7966	10853	15363	16614	17558	15478	11953	12348	13496	13834	17792	12933	16044	16292	20485	17061	18765	16875	17565	18868	19838	17102	21521	18568	17589	19139	23532	20391	21737	23319	19957	23493	923255	42092	30359	29617	27858	30132	26830	30870	30301	30398	32114	30171	28979	29793	29266	27769	30732	33712	29814	32525	36044	32546	36025	32120	34329	32922	32540	32850	33708	34562	36253	35572	35420	33634	39290	39879	32873	35023	37742	39992	39028	37486	35516	35128	39119	39314	40215	36635	41301	43765	38514	42788	49683	42091	48074	46635	46367	47938	47158	49514	49477	48745	38359	41984	45793	51209	59089	47657	58342	57573	57580	54805	49109	52959	56420	55250	50561	49811	53685	52059	50670	54610	50919	49793	48705	55452	57523	51177	36244	53288	53159	52829	53684	63123	50523	43579	49807	50904
600.294@8.0704365	758062	790092	287474	289014	140755	139402	487802	462958	957459	921857	310302	321136	491707	505681	518089	555170	343151	390010	435681	447878	448912	464025	495688	540085	435009	449297	1859073	1867494	759037	822749	1524156	1502957	973096	979367	2229166	2252604	2199369	2105524	2346569	2388023	2137439	2118939	993714	1004433	2781850	2737250	1604252	1673652	567596	611007	347355	395468	2311934	2333208	323546	305801	815249	824212	232854	251085	314066	321250	257173	266588	422153	417972	192262	194656	36442	36986	503328	482352	524195	521643	188496	195651	601199	598874	553448	551409	124745	131865	186317	180430	83546	80423	356977	352787	495610	499461	225596	221221	168193	188661	499571	508754	458382	467469	669519	649081	1008293	986076	706994	695484	289130	299142	36249	33816	433015	434683	417813	406459	238773	360508	35016	31948	20691	20706	32845	34894	14705	14149	66475	66409	39024	39109	21177	21920	157645	155762	33840	36900	35824	34456	59971	57878	91420	89155	21662	20608	61887	62984	95536	96474	159532	161128	48400	50399	433956	434689	246339	238778	152770	152568	107550	114734	312829	311474	61795	64312	17988	18931	440186	436685	394745	394235	204778	206909	184457	183710	640552	639172	335505	340829	151091	143779	393313	402880	156729	150621	137046	140041	349840	344075	269110	276154	277259	269964	121851	124551	226468	220353	189597	192483	244923	244055	180629	183394	147371	147786	207829	221157	201683	193226	146360	149175	279793	260086	171284	165906
C29 H22 N2 O20	7846	7611	12493	11059	1	1	11865	11529	9012	9058	1	1	9345	9625	12912	12984	10598	9300	10404	10198	1	1	25027	25367	8907	10468	14111	13347	20134	20524	1	1	1	1	1	1	1	1	6588	6415	6354	6055	1	1	1	1	1	5594	1	1	1	1	9683	8464	1	1	15112	13147	99167	95623	189785	184316	512083	513040	122576	117613	173623	177260	107307	109334	712154	725145	29629	30273	98347	96879	88245	89909	192352	191976	488712	469030	201313	216010	125077	124077	813152	814806	641109	643454	603428	605667	53882	70844	699229	708917	298213	297630	112650	112889	407844	404591	210460	222899	207649	204776	86970	91477	51592	51036	85853	82255	246522	243792	1	1	22516	22098	1	1	18235	18387	1	1	19970	18220	28271	29465	25513	28140	1	1	20965	22217	1	1	1	1	20182	19542	30450	32129	15550	17515	1	1	23584	23214	1	1	35096	34252	1	1	1	1	1	1	16594	16674	29147	29880	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H36 N12 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57321	54692	74640	69171	239951	235261	40616	40193	48080	46775	33815	32983	564997	565390	16466	14965	26281	26473	38456	37854	89187	86360	343427	357216	260711	268495	39970	43092	687104	677838	464438	477566	432664	429056	24677	32851	426846	429624	332807	335818	34656	34352	218607	226225	88323	87010	88962	90337	15281	14997	68993	68930	63380	57744	127190	108938	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
184.9702@0.8858181	413217	404735	394266	395067	320619	310435	406422	408065	395579	383025	294522	292807	348497	364418	364482	354543	388624	392542	374421	360483	274302	276575	442451	470054	354707	382368	369478	362239	412595	433496	168886	178164	211396	213611	187273	192559	152986	151884	198660	206673	252615	262876	172493	175453	224302	233657	217070	226634	105444	114122	161096	158072	257659	256326	52424	47436	374031	386632	745084	747905	808504	817605	1036033	1041814	715446	729760	695884	703358	519171	511301	911559	918868	608226	589275	625480	594856	696608	636688	718281	717238	896162	869005	850482	876944	476844	474031	794271	779979	835799	857720	843548	831119	691898	727779	1015954	1021258	1051850	1057617	782097	763959	1061224	1054557	946556	929373	899125	890381	493235	506182	870189	877131	880071	842517	1123964	1036399	362093	349233	326847	323419	385314	376957	388093	386315	226693	228114	400089	385144	392915	398109	434654	421929	373352	361427	439772	440147	414667	413633	392371	384755	403334	410321	418691	430966	386614	389384	328657	325840	345803	344256	253100	250259	406344	400214	308669	312894	450317	457381	245601	252276	524178	530785	457368	452257	290570	286649	135335	137644	130899	128902	176194	178562	112520	108323	308353	300208	153204	154419	256296	254080	138157	132471	187526	176988	104366	100886	324231	316034	424709	436170	158161	154301	305414	299919	373938	358035	145956	141999	332294	336944	140172	134259	306972	311226	171788	172262	298485	286555	359985	354291	324793	326624
97.976@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2080429	2079354	1947296	2014229	1929446	1949856	1811788	66148	1821534	1751265	1959563	2029130	2803756	2811411	2758966	2618097	1952432	2025891	1588225	1572787	2029099	1924292	2486114	2473668	2264120	2200672	1894814	1939301	2600075	2596830	2311474	2474970	2427045	2397448	1871413	2192287	2639354	2730355	2470531	2474764	2301445	2331498	2408681	2417843	2634140	2679777	2453527	2208894	1974655	1965556	2823082	2850189	2360860	2269267	2964312	2401759	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
651.376@12.126608	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39841	1	25809	35155	84758	24233	54408	51300	1	1	131648	39104	162837	32557	22889	1	19492	1	1	1	247089	132788	1685280	518181	195948	88243	79526	29984	37030	1	31252	30550	64607	32987	1	1	174072	38938	180869	33397	68514	17918	234926	119307	32542	21471	470714	68505	1	1	301567	57255	1	27163	181945	27045	77008	93432	103937	114203	112941	108454	100761	110477	36084	41544	112857	122114	159190	111585	198077	54465	113835	107237	297164	219841	109383	110643	68839	70037	151525	134056	157969	274874	154269	175565	47784	48245	134654	158166	35514	33297	120633	123838	84764	86730	330436	97266	42517	44529	91574	158573	200057	213798	63752	61999	138955	48195	43411	56654	59381	24070	30623	27990	22518	19231	199185	148538	42483	36024	14707	1	25564	28755	32116	28867	27377	1	117868	41401	23579	35168	47354	47604	39148	1	22629	23220	76151	1	33723	19088	195311	27994	1	1	41442	44551	90577	159351	101946	23687
248.0543@1.2574922	298252	314016	114203	121326	67878	74538	74581	78518	139927	150711	69432	69595	152404	162973	186611	183477	105500	123636	164836	148702	92710	95964	132629	133726	17517	25077	74619	94005	68130	57718	89123	74819	127438	127342	218016	215397	96740	100289	258177	260756	142332	145733	97608	101744	95812	93878	179734	184482	48616	50126	26110	31083	352555	348480	34397	34904	168195	164462	423666	418681	321961	334714	833809	819611	543342	528050	397902	390628	270174	280071	493805	497624	276395	261732	338357	334119	342727	338934	460098	482024	566851	559094	675444	666909	340832	356277	761464	779286	681360	720180	492290	492577	228364	237809	766199	791106	654699	662817	459818	470555	961029	970659	390949	392584	385024	396157	373653	372754	342168	357799	291195	286225	407267	443848	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
297.0097@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20433	18238	20638	18546	36177	38400	12489	10202	12052	17648	34709	30419	73851	76253	14713	10862	15251	9931	9438	6738	13358	10553	55534	48457	43287	45999	33417	29819	51428	49327	42283	39766	57630	61253	16470	18049	55668	52010	54702	60067	12868	13093	38743	33079	14201	13603	22428	22475	23362	29605	21226	22211	14337	12700	19973	21118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Pyruvic acid	56258	1	50687	55005	41532	49002	56057	69145	49979	76232	35168	40075	50314	68801	49652	52551	44148	43597	47294	57348	31865	40899	89630	134511	54258	1	47873	1	64085	89344	440269	420928	505585	495902	42490	17207	134760	134446	24032	18730	157000	153346	309130	317077	636588	662560	62247	45898	253858	263225	11885	17759	44886	52775	77160	77685	199980	208854	446030	427635	475756	467144	1068513	1049993	350256	339562	336173	335638	381442	407546	2654192	2683628	322565	309973	356774	351256	350675	366825	437383	433692	837486	826407	804757	783264	297795	302915	2692688	2681384	931252	929178	1064893	1131391	256724	288256	1197871	1214807	926781	915592	424167	444029	898647	875520	525181	550561	757713	775155	275891	283162	574491	639290	358412	346472	464545	694892	180942	181459	432731	428550	271747	282725	454505	454372	137269	164519	293821	326924	752030	777432	843070	828317	553355	533172	316704	336100	339229	395208	113332	111181	504000	493531	670276	660016	539992	545702	136626	123978	592200	603985	676843	699557	728663	730614	502786	501375	562466	525102	484078	491072	937234	949608	726022	711145	893124	908290	1	1	1	1	1	654642	1	1	704871	728728	1	1	1	62017	1	1	152951	1	1	1	119079	123419	759020	762168	1	1	126894	137706	215988	210452	1	1	219648	230484	1	1	79758	86290	1	1	120382	118291	1	24769	598273	1
C5 H8 Cl N6	670361	684532	790877	882140	650890	634044	834222	772565	858539	852648	563155	582899	628515	623670	577550	550107	949822	851666	688032	633360	568546	587113	694416	709314	697623	740545	681069	688982	833984	814612	128829	127710	209590	202685	87710	87036	120559	119893	180017	175638	197187	204205	108501	110057	54479	53117	172119	177490	47425	46711	17984	18106	270451	272524	60146	61541	244378	254468	256037	248166	314284	299034	715528	694062	169876	165339	267709	257228	267837	262024	1079082	1079293	124354	117073	296042	281049	207861	219824	320190	304674	756490	704962	688081	665843	227196	227301	1009993	1029215	788275	813586	1033271	998676	222167	199872	1139105	1160078	1021419	1043433	311375	307912	854144	859005	390739	386451	592733	583296	223696	240922	335211	334291	343549	337186	826229	588931	438516	438054	447449	453223	528291	527534	671940	718435	300581	299512	518568	509432	513215	523405	539023	526353	554699	552648	595735	590424	477815	484531	596431	612892	596141	613709	679425	683417	526770	537710	475913	482713	447561	432336	345307	347300	639367	616378	388155	392901	458862	444049	326885	331636	870989	885572	585113	599174	358823	357819	47795	45063	49022	48463	34509	33078	26832	22902	227833	227477	96064	94690	101332	98008	39644	36804	110506	109118	17316	18113	201624	191677	341906	345717	68433	69799	194418	194162	308172	318523	38988	37816	209405	205390	45969	45282	193575	185739	35556	34676	158573	163523	219372	212357	125363	121397
Zingerone nullnullnull 8.922781	70091	70169	27962	62208	22635	21951	24818	27579	57459	54474	47927	86620	59671	71352	1	46263	1	64369	60724	53580	56247	59536	58301	25596	63918	35174	53882	47357	62307	66246	46582	55180	48735	39654	54091	58604	51707	50321	53479	19521	29295	51283	50191	62666	24630	21927	55052	41506	57237	21109	67603	44759	31432	60483	46856	31387	67144	49825	20140	27070	28359	31259	26127	27804	27691	35002	27487	30560	27721	25672	8502	36136	38464	41820	38359	35894	38499	40566	16771	27111	41551	41472	51892	31906	44962	37063	29389	49309	39333	28582	47171	43991	36980	50278	37574	38118	60188	55495	43583	45936	30754	44740	31514	56071	44651	43153	31735	38744	48808	26789	23352	35235	1227677	36370	47601	34558	38611	23204	35572	42353	42196	27113	25759	36777	30338	39637	51019	53431	28264	35993	38905	171537	28917	20197	42321	45298	58497	46428	32667	46423	25526	40428	36195	51035	44391	43407	30542	25183	42576	29475	20529	52538	39878	44541	26636	47890	36386	41063	38201	26057	38191	44369	40778	29969	54526	63985	76960	42634	78002	63102	57417	55543	78048	58096	52291	72837	60697	64082	34878	38597	33437	44223	38295	40526	40817	40999	49830	53564	47373	27464	56155	35046	64126	50452	52904	48885	31571	36283	45100	55334	51772	60397	56566	48176	49931	41899	46903	46528	67241	50285
132.0208@0.9328112	346463	353435	327617	343461	373786	370635	331876	332850	501477	486887	412768	406855	383385	388274	220213	220851	502086	497898	387704	391516	326682	326618	212200	218279	397137	394709	295561	283437	232858	252439	438265	427054	517413	541739	483944	473090	501539	484707	366381	361620	481427	480063	302267	309425	202107	196753	258636	262569	334696	336575	193815	204535	323721	327130	512481	501329	542975	544443	469630	465480	355367	348543	436545	436553	438075	437068	475131	466635	338583	346362	436359	435905	285782	274223	546275	537096	560370	545726	340394	345848	164315	146701	339692	352681	332314	319042	314551	320353	304833	317516	396673	395888	166230	201989	397366	403007	448942	464931	391573	398744	381427	389526	362457	374615	441718	425279	495233	492845	266191	272755	418908	421127	638516	578087	292692	293494	374789	375923	396506	397040	432549	431429	310442	304206	343192	342626	322690	322053	245278	238493	365766	367205	237843	242221	266778	272421	410919	421267	327200	333067	431041	439714	273493	276959	468537	467223	311498	317033	458452	457805	447272	443625	343370	349793	170328	171666	296643	298498	470607	467252	274745	274748	282507	277763	204203	204710	230728	229123	221793	220007	315454	301393	245236	247867	296925	303235	253360	251476	230220	234450	298454	297867	218154	226731	345464	337834	298201	309863	298992	293798	312235	301160	406941	415816	223430	234744	316142	321100	243650	234990	362406	344439	174051	177523	330930	322364	302649	280532	225014	219326
C38 H63 N11 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68419	70979	66554	66251	70866	71668	78684	71515	79842	81721	73433	73316	64036	59701	9492	7683	9045	9455	11321	12632	10006	11217	1	7409	16779	15165	13680	13952	13297	13349	16044	16974	21315	22008	52222	62798	44262	45960	50285	57721	55096	60351	55361	49524	61547	62529	57573	62180	65829	64519	56569	59270	67094	65064	879850	102510	31928	30377	31347	29874	24774	25993	33147	31674	32396	33555	26967	29574	31571	31765	29350	28778	27912	27240	27175	26312	24279	22987	27920	27463	26019	25367	29029	27017	27519	25504	30871	26913	32972	28295	32663	32422	29519	28883	27879	28447	24118	26918	31845	30249	26859	24909	26647	26217	27280	29721	24753	25140	25916	25041	22270	22554	23830	25196	1	1	23844	24457	24547	24701	33653	32331	31865	31152	34323	31861	30502	29232	20889	23020	26316	27551	24424	24424	21246	23864	29028	26632	23818	24157	26983	25811	17594	19799	21834	23081	23036	24550	21968	22411	12000	13003
Promacyl nullnullnull 9.664645	27153	30762	28375	30952	28948	30022	29200	29126	22312	25594	23011	27433	31306	30144	32968	31625	23318	28354	25919	30396	27536	25780	31241	23255	27672	28118	31052	24825	29898	24857	30786	24737	26757	24000	30317	23978	24268	26668	31726	26552	27383	26045	30826	27242	29835	29117	29989	25618	29753	31079	31598	30106	27308	31683	27926	26013	28116	29322	16370	16844	21879	15664	18050	18345	17707	21575	17647	19330	19098	18365	20696	19088	22941	24279	28413	26242	21075	22153	22526	33422	20919	22994	25235	23881	29021	19090	32043	17819	20596	27071	29969	21099	21966	24403	32889	21304	24350	22092	27776	31559	24616	24918	28276	30975	31973	22709	30203	26228	23589	25920	23805	24799	805786	30013	34632	36061	40319	31500	37041	36832	36866	35908	37199	34747	38077	39494	38708	39220	37686	40617	35857	30560	35924	42062	37419	36265	37697	35211	40156	38260	38794	38794	37017	38351	31986	39764	42302	40398	33586	34627	36997	41546	36803	46618	32938	30103	32857	33146	44864	40367	40817	40902	37573	29920	34327	39334	35291	34958	35412	37395	37593	37331	33238	30650	40577	31785	30553	35594	33998	29669	33178	28369	29436	33359	33368	31696	33677	41344	31930	30893	35278	34305	32712	29170	33100	34404	36105	34139	32024	34774	35393	33358	38728	32842	31789	33329	34829	39113	31041	32791
Undecanedioic acid	35334	42884	40587	35127	38391	38929	39562	36604	33276	41429	42911	32721	40333	38296	37607	37211	37112	35294	37272	35917	36040	39324	39112	39486	40072	44379	37361	41143	37745	42208	40885	36792	40601	39945	42150	41532	41585	39574	39106	40484	40029	38297	39044	38930	40263	41690	37072	37532	43937	41592	62734	44355	46327	49101	45196	44924	47606	45614	104011	107191	109723	103925	99372	102398	102853	101667	99554	107347	101357	102704	102838	103510	39738	33137	28112	24197	17771	16656	18000	17430	17527	16529	16005	14109	15822	12211	14154	17647	12061	13268	12273	11952	26729	26956	24495	23048	21630	22512	13886	20560	17594	19696	14958	16446	19697	19812	16327	13867	15069	16035	16893	17853	784095	17260	50417	52239	48874	53939	54207	61241	55438	55156	52243	51929	60966	58511	56082	58128	59019	59104	57489	63290	53117	60106	75716	64734	64198	63176	63924	68655	68910	66970	71302	65465	61690	64381	59603	66551	63936	69098	65774	64385	66547	66170	71041	68238	69630	65534	70067	71531	65581	71681	70415	72655	61268	67884	65864	62525	63366	56826	60674	64768	66243	61019	65787	68663	66430	62980	83434	82800	79946	80226	75992	81446	90120	78986	84754	81562	87750	81950	78706	83453	78985	83553	83461	81045	89107	82357	78303	87210	82890	86508	83230	79546	81570	94458	92388	87925	76283	75583
(±)-Ibuprofen	44288	54018	43384	52350	29925	27586	52755	34316	49016	45659	33615	44190	46503	40652	50768	38552	63712	39163	35776	46958	48809	50478	50110	31791	39387	49638	44683	49536	48657	37199	42832	34730	51591	51634	29649	47769	45270	46102	40613	47887	50115	40878	44031	33594	42864	37568	52103	56882	49116	50309	52925	47708	42939	53232	43763	42284	23188	46956	10000	9366	12681	16443	13263	11622	13701	10069	8843	8850	11542	10121	10396	11854	13939	12566	12983	10848	12792	12767	18154	18669	36061	19945	17870	14244	11854	10487	10834	10068	10470	12097	10295	10815	13947	16384	21809	15962	20826	16729	20404	19504	16289	14830	18227	18292	24826	16651	13360	15678	15004	16218	16070	11184	977076	18688	17915	17296	17825	18232	21274	20369	19405	17895	15732	18817	18687	17363	18405	18507	18811	20148	18208	16195	19648	19371	19951	14811	18327	20599	19727	19051	17726	19361	16045	20292	20160	19494	16343	19214	18592	15930	18661	17843	17038	16026	21798	17619	16111	14862	19791	21065	19504	18275	15544	15034	16597	13746	14382	14394	13846	17326	15247	16715	16679	13384	23205	22364	15304	15029	14417	12923	14723	13627	13084	13876	14195	12411	15336	13712	13602	13362	14230	12763	13370	13154	11956	13079	15469	16166	12507	12580	22695	13483	15822	12553	14633	13428	15813	18159	14624	12726
164.0662@1.0340002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11042	1	1	1	1	1	1	1	15012	11426	1	1	1	1	1	1	1	1	12409	13127	10392	9433	1	1	25982	12338	11695	20340	12137	13218	1	1	14978	15717	10177	10313	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Ascorbic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30439	30131	44439	44652	110987	103460	862598	866281	22609	16271	55399	59253	59596	76807	15578	11592	79397	65571	867825	845972	758506	799474	126550	126456	589970	601187	734646	722040	86606	156539	133741	161982	64451	78728	19515	51314	98390	123161	473829	490953	435276	428497	538156	529971	216904	228303	192485	182354	29895	31374	40061	52038	28225	30047	69349	71004	176426	158277	425965	423286	264389	272528	448312	446505	134209	159882	329288	325103	745561	771872	842811	827323	547810	525120	315385	335092	335053	392935	132805	125769	498615	495389	676444	666782	538339	543705	131539	130451	587217	600140	670639	693514	721674	726108	496431	497346	560255	566455	481091	487519	929736	937351	723220	707960	890370	903461	1	1	18348	18867	643488	651963	346793	342794	701622	725618	25148	20088	55900	64865	1	8140	18476	11574	1	1	129535	120358	754516	757143	14498	17947	139999	136151	214497	200400	1	13156	216050	221995	1	1	82569	85252	488819	495372	120388	118075	27395	33489	595133	591682
C17 H28 O3 S	582153	982891	989388	1105173	1001686	837653	533831	478133	929799	483118	509764	925962	598261	1117340	539981	543515	661496	485634	503817	858607	922213	547234	566050	579432	495191	1028419	924288	811239	732594	629516	468493	937063	1008523	964116	1212048	968499	994108	676297	651359	1006252	899782	600955	966304	1176267	598501	538834	646242	619473	1009168	1002553	623070	723880	1072930	1056418	654385	988933	613860	1322705	95491	111983	112157	114125	102994	101029	103797	89300	103405	107686	98091	112166	108353	111550	165877	147866	58474	66661	48037	47855	61235	54679	74891	55614	107754	94187	57466	67024	24969	32401	43778	38484	50949	36503	49140	51726	68623	58889	53429	80598	79954	67155	48657	57838	54920	58891	54494	59165	76956	65225	70190	84359	44140	58824	1409243	80466	91591	101281	123763	114501	95487	147493	125172	80971	62806	93894	96787	93348	100907	97281	108451	119830	90592	87504	56063	100594	126309	75074	98743	102414	104133	108708	88167	99963	92217	111944	121138	72774	138198	140758	104917	95694	93977	98867	119278	69095	132920	120220	203207	204552	65865	95190	123915	106841	79643	130698	270054	238052	211522	259326	269740	504092	540526	409055	251045	396124	248767	240009	411611	483087	377802	250065	379831	475272	570233	467345	395781	269051	275379	270015	455124	239637	241753	359820	247881	342886	235054	363308	392325	371396	220368	223542	412264	262623	475044	275676	382566	450217	459367	326578	398980	388130
Warburganal	18093	16984	22920	20499	17862	15342	18914	14669	14529	23608	17496	17336	16013	13616	24855	11699	20049	16267	14521	21976	27779	19798	16096	24822	33705	19489	33235	37144	18690	16608	29652	35947	42470	49289	44707	39314	49439	23701	70266	31121	23390	26121	20961	17177	24065	30266	31968	61333	26197	31939	20661	23870	27682	34123	22693	20825	26156	48893	14827	15098	14285	14693	21593	15244	14706	13563	11162	11975	13196	13165	14700	13119	8464	11079	15603	11779	12627	14544	13549	13765	14687	16542	19029	17470	14918	16174	14112	11330	13101	16104	18249	15118	15483	21657	15070	22751	14382	27974	19828	18110	26883	17818	20227	25955	20914	19991	16803	19262	19578	21138	25085	18194	721043	16061	25499	18241	19214	17678	24537	23638	18826	24235	19655	20711	22849	24528	22809	21078	18801	29471	20775	20089	20037	26822	24686	20967	20360	24812	19437	20534	21858	23558	23461	21296	18066	25961	19853	20186	21317	25773	16885	23033	22107	24577	19586	19565	18345	17270	20075	22294	20415	21785	21648	17631	32447	30676	32033	32884	35980	46761	32162	32142	33525	30921	32141	32599	37087	33284	36144	30482	31184	35106	30826	28764	32373	28941	29654	24034	25867	28645	29689	28702	24402	25373	29639	25927	27853	25456	24331	29141	26899	24968	28246	27486	23781	30035	27955	28807	26714	36186
C35 H60 O7 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9905	8786	7591	7644	1	1	1	9843	1	1	8743	8455	8344	1	6886	6711	7093	7263	1	1	7185	1	1	8566	8211	9055	11656	13323	10891	11250	12835	11330	7938	7821	604848	660506	600190	602567	586395	601844	661812	617623	661342	649822	585285	569198	527574	518313	631294	592474	599019	643626	594199	606524	675682	657212	464501	594057	602034	559278	622319	584352	543282	531520	587085	608785	641832	654280	523913	683022	597268	655622	687583	771197	769375	800085	698907	697108	831847	764316	734368	800166	830871	814389	749004	730014	804702	765617	2553772	839333	155749	159252	171073	166789	139738	154439	169637	171417	176707	176653	150590	150436	173303	179753	166411	169145	165524	165034	151115	148171	134951	135774	152250	150952	158138	150468	152767	149079	152436	147261	160460	160050	167290	161578	177002	176134	162862	158018	158322	159521	142796	147579	172136	178903	146448	132969	150992	151972	149653	156086	127669	126354	116820	128950	120065	117582	118551	114517	67956	68726	118841	114039	129236	122788	123006	115758	102605	102038	96026	97286	95519	92585	74196	75293	94084	95091	91618	86996	82984	88826	97725	81289	86393	86049	98960	89378	66805	77534	85792	82582	89705	86374	91837	89246	60149	56175
Glutathione, oxidized	478313	482501	709701	726681	450730	449187	879087	870184	850849	816172	459865	451047	698931	701002	724927	726348	527640	520708	674830	687158	182421	179588	1104780	1128924	360809	380284	380670	378292	586810	603501	94408	95096	152350	150604	200939	192972	136573	132434	231853	244479	177977	174345	144770	140429	110865	109110	177961	176984	35925	36639	36123	41757	305452	309758	51306	47070	229406	234324	155740	161283	171681	170140	564385	547215	107471	111907	82592	83028	115372	116966	661489	669508	59462	57157	113455	108813	112355	111895	163066	164463	518609	497684	421151	432322	128517	133083	794114	800375	650355	657049	620609	622988	69379	76401	689505	679647	544200	540264	168568	164472	533268	514223	148074	149250	254900	256704	102819	101472	131528	133962	147339	138383	185360	184065	259983	254444	303287	297760	274996	279908	359346	353890	158875	154189	257863	249707	371905	372517	334431	332458	326431	331053	350339	342289	302026	294487	263078	263854	275976	288746	334923	336123	250882	243390	234886	228836	268222	270720	239595	241194	326703	321272	263178	275947	354230	364415	237965	233967	477371	482671	246182	253152	253214	248776	76363	77179	101108	100431	80397	80199	30573	27826	87167	89066	122466	124171	137951	135505	90134	92034	157878	151150	32539	34567	131076	132946	106180	103106	153597	149902	130612	134163	80082	85591	86349	86194	103917	104563	89321	93559	128780	123872	51455	53042	110920	113512	164720	170769	108190	108220
3-hydroxy-cis,cis-muconic acid	3472180	3499739	3379270	3551343	3453708	3404841	3461834	3493458	4098258	3911856	3648689	3588331	3628475	3655104	2812980	2945326	4049177	4022314	3673073	3634098	3198748	3253164	2836819	2917144	3646676	3913107	3314421	3232651	2995568	2999466	4144967	4213877	4906367	4940529	4316585	4303879	4084835	4137884	4935192	4944536	4450055	4359073	4592240	4691178	4295867	4332460	5312388	5363376	3362834	3409506	2713154	2761673	5238882	5135465	3379222	3363072	4794775	4764206	1734831	1724017	1521875	1509957	1940127	1902432	1305324	1302195	1704512	1699499	1569261	1560232	1895081	1897736	1434322	1348574	1881026	1845334	2500239	2430720	1146171	1246801	322744	1423998	1217971	1231210	888026	926326	1810398	1820172	417279	457759	1779675	1788733	1029486	1244749	2161548	2120506	1012483	1133415	2478876	2465472	1294549	1293482	2050028	2095442	2270213	2235213	1875360	1877353	1667988	1685400	1879322	1837288	2525056	2328651	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
739.4258@11.652097	101373	63818	18905	27396	17387	10661	20510	13310	34245	19041	22020	20472	98460	59237	96455	92946	429926	58554	98646	39554	29477	33075	21126	21836	14516	1	13518	1	17748	15412	31886	22562	43351	41619	14168	15956	23145	24720	67160	38220	35563	33051	27999	27108	41581	52924	92464	44311	1	1	1	1	92499	58203	1	1	44352	46563	36118	31605	47192	42015	34936	13417	34432	31079	11984	1	41412	30565	76779	37040	28157	25075	39701	33615	30205	30305	156915	142938	777041	302318	110314	62743	65258	62650	19979	15729	32441	35756	51763	36012	21680	18827	84030	35670	112335	60719	79155	59761	128015	88188	47705	45591	259980	68551	24666	21953	127178	80277	44908	46562	109636	42931	23556	27098	44708	43475	44193	38753	28050	35473	1	1	32117	43081	35691	40478	66358	40500	33868	26819	74700	82431	33742	33214	30303	23493	27719	51623	30906	64309	31003	36188	18524	19671	40034	46234	16065	1	37140	43566	20661	24577	57265	53788	18945	16993	44727	39765	64986	32253	30773	35433	21797	23131	24474	18690	17563	13777	1	1	28475	18075	75967	42018	35130	31835	1	1	1	1	13028	1	29474	18201	25451	17952	24798	22451	1	10783	1	1	18230	17902	28245	14593	1	1	71488	13858	1	1	18561	11866	12940	31522	19022	13607
537.8916@0.83726764	542989	533226	540721	521851	510515	518416	549852	544933	545232	529088	539382	522823	527614	510594	521532	544840	503859	527715	541689	528893	500247	492970	532315	544976	567565	596606	573411	570704	561444	583189	235862	238348	248087	243346	221563	211981	234159	222998	301782	296455	254185	259781	207273	202904	230792	230833	280055	288202	151404	157087	291231	266044	344569	337729	151245	148822	323807	316466	287625	287518	311352	318509	279651	282522	293663	289572	303399	303978	277260	278735	174728	175142	580119	553212	464871	442670	331029	139489	108888	144424	121170	146637	190182	227725	255488	280867	155625	154026	249488	261283	267015	266898	553603	558220	353707	341727	412658	421088	527612	534807	488209	482670	538962	538650	537870	533510	401594	414655	516476	517504	491456	481545	790376	567401	204373	194650	182902	177011	253768	267788	203557	204824	147695	146893	214452	212949	215157	209714	230934	225332	201110	198736	223287	231297	215559	216778	205239	211622	218524	213686	238118	233670	208314	206479	171170	172196	196838	198277	156246	160502	212906	213018	178440	172023	304015	305954	144703	142808	334044	334144	233651	214068	150901	163048	310654	304503	279804	279398	305298	309389	180901	175673	406790	395321	296411	304822	267342	272728	317942	303813	368982	364722	249227	248909	464949	457158	488972	481919	347915	339049	475746	472753	461148	459158	292735	295890	453485	448075	301194	297102	442470	446515	201562	195014	424620	433997	510890	512674	435433	446384
<none> nullnullnull 0.90299994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	159017	156005	194951	192880	131187	136845	194603	190187	168172	168324	182116	184698	90221	97532	256302	257949	180499	180475	165450	144897	199441	214912	164316	183469	158758	165231	204806	208761	90121	91963	123945	127471	124732	121061	439627	342344	164428	157786	169484	172772	253015	262397	213868	203259	257318	259542	226171	241905	200966	203770	282173	275009	243971	241029	88296	159403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Phenylalanine	218398	240513	160144	165151	95954	87529	119540	130474	145904	125598	85687	95614	99645	80820	79613	82448	163594	147524	89612	78957	83954	130558	136167	173902	196456	229255	243111	267136	242949	350737	81158	73113	90740	98480	117213	130623	69733	64472	96151	91889	87211	85047	67854	70531	65819	62510	102374	116514	43892	55433	30786	35978	196344	195833	35802	37511	131708	129391	70464	61519	42762	44530	213389	212794	48898	46643	31984	38391	43009	51811	195672	197977	102451	70761	102513	111762	88475	92941	232114	267376	333287	349319	267335	226975	81947	73628	495265	535020	454993	455509	326909	336391	117625	125837	707855	705337	481856	494555	230585	226310	790204	747048	225725	217478	291386	301378	105608	100923	175743	181346	218953	219821	349733	310502	71457	70246	81459	76413	69787	74061	189577	184840	67554	69431	72520	71282	120104	118162	74707	73484	87709	86002	99781	95323	107352	103675	107770	105371	145102	142061	77642	76670	155676	154892	84455	81542	101342	99320	117264	122338	73855	67873	111775	105762	87285	87755	79509	78182	87776	91668	73722	64245	128577	135937	337383	326854	367684	361693	278833	288393	240185	238868	911545	935418	280915	287518	418492	443926	363655	360780	364626	357069	189646	188009	797145	771854	1199821	1189818	322012	320656	1141166	1151965	1222660	1173533	233743	228057	924547	932224	408330	424253	588890	581599	221423	220607	706543	701394	849313	851768	787341	785546
240.0666@8.904803	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28250	31926	43855	44918	19542	19211	26727	27530	13350	13908	42795	50256	15778	16795	26268	26170	29291	26982	24650	24641	26435	27650	27413	28391	24704	22470	18597	19135	13933	15991	12658	16375	18080	17510	9612	16069	15819	18837	22277	22939	23303	25329	28919	25377	20416	20403	18972	19330	17980	21255	17355	18514	17620	20037	766902	21423	30244	35077	26524	27562	30795	36530	21744	23162	30014	36384	41248	42760	28075	30409	31551	33251	38170	39281	30848	33470	33172	38429	36457	43834	30393	32936	36902	43178	36143	35173	41083	39181	34058	37443	34213	34564	36194	48457	29132	31666	32737	38431	29391	38513	32651	37116	33118	39811	31389	32270	16898	18509	17690	17251	14702	13526	16170	18806	21195	20773	20952	24317	19570	24407	18974	20414	18511	23063	17271	15289	19353	18594	17482	21983	16285	18756	16183	19079	16727	21702	26495	24424	39701	40321	33186	31323	37944	35778	23737	27776	34940	38179	29368	34081	29122	32460
3-Carboxy-cis,cis-muconate nullnullnull 1.5364658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	255120	271299	198176	199459	653615	755804	439966	423573	222803	217461	126605	134185	489561	516180	134333	114467	212127	215163	281232	269972	364076	383333	583386	577913	746718	766157	205676	203452	1015820	985314	815247	856089	516978	519381	1	131921	929375	943971	811044	818425	410008	394628	1081805	1085797	284540	275154	301415	260186	212138	207637	259825	285193	185864	180394	252106	281200	48493	41300	74385	75569	86167	75311	93805	86188	29994	49528	51994	47390	73736	69880	75168	75425	61197	70168	67261	68672	31998	40611	30579	28899	38651	48100	53029	47341	33702	59413	18449	22328	57519	66259	90877	92837	80123	83177	88520	93458	97893	83456	56061	52114	109761	111142	67220	70978	107022	105316	218901	212409	164103	174217	263277	284385	163701	159748	491527	416681	144382	149054	340698	367263	138547	132411	216684	229780	172890	185092	505904	547555	395442	417048	235368	235782	768109	775565	440465	449167	222837	214539	369264	369888	150831	153945	443830	444772	243073	237527	402080	410377	559194	554553	522922	502731
Creatinine	239129	248083	261730	272967	173653	170331	251917	273256	228791	217520	165681	158334	181724	181228	205140	197925	240941	249837	226190	218361	148571	157627	301223	314265	217449	247928	240372	212838	265471	260197	1	14411	10682	10736	10699	1	19040	1	1	1	1	10400	1	10788	10500	12901	1	1	1	1	1	1	15876	13557	1	1	15433	12094	246282	282647	302869	308235	432982	412831	214200	235783	229635	220191	202977	206637	631500	572426	292482	230285	269128	253584	283542	296576	359420	422367	669635	641582	503167	536463	258704	248660	588941	616702	657641	644004	653372	613262	431981	448504	895238	875718	729481	778530	355378	377476	653717	615204	474869	480373	482215	455454	340234	338753	519031	509410	458606	461214	573705	599537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
469.9034@0.8375437	554036	557042	566277	562762	502520	502394	568390	572615	560796	553039	501652	505591	509227	514699	542435	534358	530925	538638	528001	513039	460107	461420	569320	590206	542402	563371	540572	537539	566441	586614	208715	207822	212759	211349	198056	185972	192414	188636	257662	259499	219391	218936	178723	184487	209720	209135	239129	245076	135791	149340	235616	234240	290586	287624	133964	147858	268194	267320	291010	292297	296008	304939	319882	320203	284447	263358	281264	283614	254593	252360	225407	227686	528343	514735	407507	396757	322581	135243	122597	148563	157380	186661	232467	263813	236657	258080	226823	228701	303300	314687	338835	340155	551262	595980	432036	420503	477382	479785	471211	476714	541647	535388	509980	522782	513172	508372	362961	352637	495810	496811	471641	468420	740377	558671	167214	168685	161259	158470	227546	224920	177644	186462	128167	129633	187198	191335	174600	181668	201953	199216	178431	173941	203441	196137	184701	181199	175398	174037	186498	183876	199410	198380	170905	176438	140330	143179	168555	160085	129892	127453	178963	176680	144252	147567	262598	266637	118501	121954	293336	290955	199287	185968	132158	136286	262820	269463	236509	238383	263327	258873	148432	149432	342413	353930	253536	248684	219844	218367	257235	249673	307867	302512	204340	202582	399853	390154	435021	440000	284642	278583	408330	413389	399352	403391	236722	236190	391896	407332	246827	244231	389545	383121	161961	166066	369335	377734	447616	437823	370388	372602
386.1854@9.963995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	77047	81298	101289	99793	60228	56692	65690	63270	63981	60452	58958	55469	55009	48961	59977	62228	78886	89164	79952	82075	143054	132681	97197	96441	104008	97343	92667	90707	81432	73745	82797	80900	85630	88837	42402	41770	99177	90799	98520	98075	115839	109878	57796	58527	61749	58486	61537	60185	46234	49789	59183	59681	56652	61685	654155	70370	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(R)-Malate	3386433	3490648	3896370	3977151	1390116	1361118	4203053	4169524	3791610	3954635	1573957	1596463	2233525	2249479	2243675	2193666	5888779	5681227	2952408	2816995	1418394	1414459	5482532	5546859	2102446	2178890	2605820	2600114	7066377	7138462	249423	238648	226149	221267	108643	92942	140641	142633	187101	184977	215663	219845	74255	71808	135299	140807	225332	204901	44858	44958	43862	47187	350352	354709	29595	32636	252342	273172	428570	425409	468674	460084	989044	969974	349964	340310	324588	321577	381838	403879	2452468	2466287	343296	330702	339922	332361	359200	358461	411073	404207	790180	729499	791816	776362	294379	302674	2641023	2625431	910018	902120	995798	1070604	289616	376914	1135389	1146382	888423	828350	423432	441414	818790	852472	523794	513022	752613	732106	277645	280982	704125	697735	372854	353649	474387	691940	134978	137326	78577	74752	32719	155739	54553	47702	141054	143331	38117	40852	68117	71180	40242	39819	146146	146548	27023	137880	32986	152856	167735	41945	32283	26842	65813	67449	36269	39162	148655	157273	72002	69165	72413	72598	52146	175779	66343	69110	30197	32210	35092	38981	77131	76088	27141	25280	60183	58125	166371	167339	224630	230450	225468	227720	162109	158514	375939	387646	301159	299665	334758	340807	182342	168346	341240	329964	122918	125559	522651	519234	516610	531878	251753	253915	523865	519767	446936	436745	166536	166022	422892	418188	152010	155171	451937	430598	188689	190912	376757	385046	791056	780520	419468	422609
LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	352347	345457	549388	542520	1104462	689410	308983	286045	431976	347800	348683	293810	795110	522807	233326	236725	336087	305908	291445	278013	704503	655677	9378865	2894192	1162738	778116	469503	433242	489934	462569	850787	877444	1301560	946244	273777	262507	1295495	694390	1342035	900086	588772	525962	1347956	999015	544322	510211	1788004	555424	287689	266941	798125	588472	548034	542933	735884	579695	63016	63253	80060	72384	111038	104942	84579	79717	44367	40848	46371	44690	59455	53841	54339	53399	39062	38232	79513	75356	66233	62032	87225	84493	32331	31596	27584	28193	31229	32059	78188	74657	40097	39360	21997	20860	93033	93559	23897	24403	449384	418464	44019	42160	87655	84106	43620	43160	84683	87295	821765	838293	697849	595179	37433	29235	13140	12268	695041	509076	2238377	1641423	283438	233721	503534	459937	1075596	839763	482243	468451	876188	680339	263515	211289	569372	530250	644791	593240	445695	387024	507433	474585	748561	498094	626412	605531	2509851	561796	11211	8003	1119022	795915	2350676	3707125	730985	593758
Nabam	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	802705	818098	657677	655432	791030	791185	741149	719952	799813	819391	671417	656507	733415	734143	908375	848718	993888	994393	892431	674821	420460	473167	267058	263750	628511	675110	657286	697306	713769	740267	621806	744186	847349	853014	684563	887034	1030284	1014371	1002554	1024930	1070356	1075393	1109902	1090011	1018897	1053662	1117770	1107569	1024159	1042566	958021	966357	1091164	1087926	1306757	1250866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
159.0204@0.9370002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3507810	3511425	3054314	3075313	3627322	3606079	3492666	3464462	3590876	3555854	3006011	2980464	3616020	3640676	2711410	2509988	3718630	3570235	3601402	3648194	3040973	3197818	1815636	1703196	3013622	3142852	2936417	2920137	2850725	2834477	2797222	2818454	3211138	3297722	2057037	2280778	3658472	3589285	3884461	3996066	3601294	3645381	3619961	3593251	3356583	3469081	3745659	3723739	3830108	3786206	2728619	2761742	3606846	3522226	4622347	4363675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Fexofenadine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55627	55133	71927	70904	103546	64630	67868	59901	46735	35173	24714	22607	80062	47264	61351	56459	49220	44841	62419	60300	167742	149916	754235	247310	119620	78953	38133	35045	37120	33117	63922	66052	85900	69712	47466	47347	109649	54319	139611	88649	124710	111348	148022	108422	95031	90169	330422	105707	19989	18014	112170	83542	93767	88645	116428	79733	10701	9293	16621	17960	37466	40129	13919	12780	9810	8303	1	1	15625	15422	12412	11832	8411	7534	13601	12478	9497	8446	13379	12351	1	1	1	1	1	1	11627	10734	1	9796	1	1	16861	19022	1	1	176517	167991	10496	8628	45832	48657	8698	1	18840	15891	306197	329632	367690	305772	113230	87644	51573	41580	338011	243105	1062345	822738	422152	364839	227437	208632	514470	398695	227025	223459	412834	322788	172440	127187	289639	266454	304809	277129	227999	189933	241380	237647	415322	264721	272416	260219	1297792	286636	42010	37929	548301	376170	1070390	1646709	407349	328062
C4 H2 O4 nullnullnull 0.834734	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7675151	6758772	6944332	5778021	5004917	5093828	9008608	3335139	1.21E+07	7381809	7201045	7013116	5762639	5704687	6692422	6480304	7722336	7455079	7494222	3090091	5758060	6196146	8110275	4070724	5701152	4582646	6693089	6983339	5412807	5159568	5297259	4710902	4768449	5626096	7086008	6586040	5474771	6565423	5470447	7235883	9839868	8312026	6014206	6069324	8178351	6768516	8216203	8102609	8517835	8317016	6613199	6678384	8480026	6721017	8966583	8083865	2399955	1	7561019	7779201	3247200	3408169	1	3397418	2100606	3294765	1	1	1	3428435	3320024	1	3317467	3321359	1	1	8166552	3419886	3479915	3309492	1	8741341	1	1	1	3353322	1	3497520	1	1	1	3383435	1	1	1	3528294	3395191	1	8540320	3434506	1	1	1.04E+07	1.04E+07	8268844	3401308	8512149	7919777	1	3177409	8092713	1	3112264	3041373	1	1	3110842	3101036	1	1	3086910	3064433	1900580	1	9160767	9205014	1	1	1	1	8850987	8737389	1	1	1	1	2990327	8080284	1	1	8897258	1	7720633	1	9652836	3071577	1	1	1	1	1	1
3-Fluoro-cis,cis-muconate nullnullnull 0.9379998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3290251	3334483	3004413	3012401	3441954	3443187	3291736	3268766	3404961	3412721	2929421	2913840	3463433	3431253	2639564	2454056	3407056	3521064	3348483	3455832	3011326	3188046	1838846	1737062	2880783	2954909	2903631	2879837	2760768	2765847	2700001	2746997	3124940	3198778	2135949	2307143	3469121	3341219	3557092	3595969	3438140	3394542	3315277	3250205	3194935	3270007	3410627	3428687	3539772	3424453	2489471	2547226	3255874	3215369	4064544	3955968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H4 N2 O9 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7090	10108	1	1	8548	1	1	9717	1	1	1	12257	14031	14261	15499	14581	15213	18355	20089	16227	15705	14678	20173	15284	15649	14569	11517	12265	16754	17109	15200	16811	15447	16033	18062	18351	14747	21975	16995	18978	18379	15519	17724	15175	16186	17026	14201	18561	15786	18144	19775	679166	20305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9672	1	8789	9625	1	9590	1	9136	9008	10115	9046	1	1	1	9505	8767	8774	8842	1	1	1	7700	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
605.8793@0.83726764	469466	464425	462662	454891	475060	479413	455140	466519	473396	475089	479700	466984	461235	459228	485266	478613	442918	451638	459942	460152	460178	456188	448698	464988	499625	524751	501642	497843	470926	487905	225418	228683	237925	234639	209463	202419	213876	217217	285448	286253	239637	247324	194065	197943	218552	221902	273220	269960	143392	143172	274317	264316	322386	316015	135997	135890	296953	306721	243466	241720	271430	272585	215244	221065	264984	256422	262070	266542	244493	237343	125857	120383	521297	531792	436512	422514	302436	110448	94019	111171	91760	109530	155891	181965	227073	243290	102386	107255	178856	185139	199643	200523	458425	474383	264205	267114	330164	335639	483760	492193	411361	409620	484655	488320	471144	486445	387300	387259	475070	474040	458233	460681	702611	515918	198545	200569	188259	180117	263731	260190	209149	205587	150797	152895	212297	209575	213116	208756	229325	221736	198712	200191	226910	222349	210429	212751	201775	200212	219797	208253	226556	229569	200256	204344	173611	170613	198475	190928	158912	156440	211860	212706	173050	170595	289739	297529	144104	146468	311525	314750	227137	216070	156495	162042	308193	315238	283042	275521	312720	312751	188567	186030	381588	386042	308442	304704	269245	273770	313178	303890	359462	357648	254469	250647	441424	441659	445206	452911	338907	327849	446493	447671	425947	442547	292242	281439	430495	435282	299933	303215	432655	426787	202167	201059	413174	419124	476352	479703	409031	418274
C16 H2 O5 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8334	1	1	1	1	7855	8268	1	12208	1	1	1	6999	1	12220	12307	13334	15119	12905	13937	17465	16051	15122	16639	18528	16857	17316	13672	17682	15621	15113	18531	13245	16242	14780	15773	22271	16732	15207	14467	19680	16592	15761	15636	17199	17711	16441	16375	16248	15983	16093	15872	15647	17107	683008	19995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10737	1	11150	1	9127	10666	9549	10330	9535	10537	10097	11128	10346	1	9517	10433	11053	10011	8351	1	8732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9253	1	1	1	1	1
Dihydrolevobunolol	648326	628182	620828	620865	550136	533322	587333	533284	584027	597158	554653	560484	603010	573843	603758	583965	621946	598681	598975	540449	571433	576433	614635	662044	649713	640488	641917	607252	648765	656002	639286	634744	608692	619902	565346	603005	570730	595614	581998	588668	560314	556146	571052	586281	672930	643569	589365	602810	587726	595434	599840	585815	632852	632438	606504	565895	644821	656217	251807	254571	244062	267155	256486	240197	254929	267924	228373	231218	238394	231037	287848	265456	423030	400750	387862	376454	383957	380520	478237	453038	505913	490746	476705	458339	388031	394222	403678	389532	370187	392358	384254	383969	296506	405583	458984	421787	487108	437827	408261	420115	461721	444438	404090	407018	454830	439840	339518	346355	421820	413243	398515	393663	1.87E+07	456512	19170	20231	19364	22407	23380	23676	21547	18578	23625	19903	23318	24987	22859	15386	18178	21967	19164	21628	21327	24211	21079	22232	25872	23946	24154	20866	18186	19334	18135	20317	21368	21115	18635	19767	19733	19073	20570	20361	20841	21853	24214	24227	17513	21385	23467	21191	12851	26464	19922	23126	21105	23209	20835	17546	23711	21249	24614	23984	22710	24428	10080	21612	23461	20125	10305	24179	8782	20084	9399	9013	11338	25334	10669	14166	11351	24085	12823	12591	24812	10263	20901	12735	10250	8953	20523	10981	21338	13136	9642	9588	12164	23162	28170	10049	14540	27071
193.0019@0.8783059	185386	188091	169670	186154	125167	122269	179131	194252	206519	188615	159241	139950	165288	179049	142516	147806	248191	208628	159627	178219	129958	135227	196675	212059	175658	179249	145515	158014	191020	211242	106125	108645	122977	127162	111284	114375	96617	97870	112058	100803	133936	149352	45250	97397	106815	100470	108357	108911	26096	27325	45729	40645	131631	123434	52269	51202	207267	202804	451236	443234	414762	380213	679003	691730	421019	428731	365424	373673	246391	250408	717160	834825	302900	290528	252072	243718	369077	537836	519671	516579	722776	689955	538474	487273	204354	200184	633322	568228	636527	516520	521354	518987	383074	350966	560535	714331	520730	618424	298362	291564	468214	468311	329776	367679	353997	334617	159550	160766	298715	267235	319098	314681	381753	398957	164680	166500	152726	150698	255425	259286	191609	161020	96239	103000	229319	181062	182805	155210	181219	187522	175854	178379	160628	193918	182425	187607	194055	190471	177871	187211	206803	214421	146644	166764	170567	138855	156634	160056	150419	148807	200557	203294	142276	147114	271327	273274	104296	112823	378873	315321	199141	200395	123574	127422	66685	66808	60565	52641	79303	80988	52635	51986	131760	131844	69118	71256	77173	77497	58164	67843	69973	76567	30171	54951	138474	124813	217703	200652	68888	74809	139858	122688	149213	182422	53957	61104	176747	166154	57858	65427	137959	151577	46722	38912	123939	132012	149750	155775	157171	148356
> limit	570718	492167	572257	314753	570755	223355	659616	466432	844026	421374	525191	382976	614162	528051	415671	844578	444256	457739	459836	336723	505687	719744	517981	496033	540958	482566	506947	527052	752098	993273	466095	466589	183882	478462	214615	530513	619224	262044	511717	475978	247383	250046	565436	478384	508787	586694	558046	455827	421343	483305	251283	333465	222067	205827	203896	213953	158589	194270	305817	261285	379091	561925	313547	244736	314865	338954	243027	328405	350914	259424	367089	298744	342591	452792	320780	534995	356143	256445	416477	323996	409634	346925	358647	142322	331795	379526	179008	503876	340621	452443	383128	402245	366321	320435	300274	262638	1416286	304088	342494	318958	327445	318303	345593	301242	324815	298479	360605	266024	284618	299187	343364	699604	554803	299005	65876	34818	97141	69151	87362	60761	63217	53055	66489	34002	13915	65403	95313	45000	57021	54350	67682	90194	1	1	1	1	1	83185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8113	11507	1	1	1	1	73747	1	25528	28785	26295	16763	85132	9034	11535	1	68482	93359	63569	74165	95099	41202	92112	68491	5113	10584	8562	7480	12289	68941	65416	73577	75167	68159	62914	52057	21078	5499	80036	99574	33811	27532	75873	63537	32325	65718	60743	90741	77461	77747	13030	74619
Trichodermin	25042	34801	40758	28863	21803	41320	41817	33054	21711	36522	40874	27095	39509	18670	19165	24377	21142	29989	43952	35708	33335	45442	30554	35019	40246	43324	52788	31771	34238	30271	27079	32838	25115	21471	27685	35407	25073	26845	29629	38455	30560	24517	26751	28870	27393	27028	25932	31829	31178	30210	23896	21835	36486	27818	26253	22895	21170	24358	10207	11021	11590	13119	12730	14604	10297	10710	7346	9573	10730	10995	17082	11114	12541	14138	16531	14300	17073	19261	23543	25019	20671	34958	31556	29299	26448	24835	29270	27420	27845	30027	30895	28823	16689	21320	26027	29111	29917	27904	23708	27640	26653	30383	22856	26558	28812	26537	22748	22703	28407	28591	25627	25801	634830	29531	21186	25176	16872	18706	20702	15129	17444	22875	14010	21649	23759	20211	18928	17256	22387	19322	21728	23298	19581	21608	20143	27007	18117	22369	27869	18206	20096	19231	24452	16085	15900	24099	15966	11365	16794	15521	20432	18118	16094	20375	21584	15407	18475	17144	23329	15255	19395	21264	16017	19744	25681	20086	17267	23874	21450	16454	12911	15525	20555	24607	36557	32377	22808	25104	16626	18954	15452	14046	13260	15067	16300	14903	15394	16861	15877	14083	10529	14186	14621	16279	12433	14297	13054	9091	11652	15820	20727	10157	8308	11190	10462	11572	11735	13585	11954	12566
C14 H21 O3	62818	67037	59080	56060	59956	54142	54491	54051	59128	60104	54925	62023	71241	65502	66023	66917	61713	74003	72987	62290	56076	61456	55636	49404	52453	52436	52497	50839	55713	51617	54905	55657	58440	57386	50280	46823	49153	49013	50765	55520	50953	48982	48445	45383	48459	50778	46254	41987	45364	42140	34980	29901	43748	34672	34556	34391	33137	41107	19596	24200	21754	23309	23716	21156	26963	23329	18356	20411	21116	22408	27067	24194	9869	10576	15870	18435	22160	24519	34555	38074	53995	50768	48903	42055	41313	45099	44133	43659	49218	50347	55507	52092	41573	58303	66743	61694	71742	62426	60622	60443	70863	69752	66560	66824	75709	67477	60492	56723	69716	67727	64002	58244	646464	52586	64571	62423	66991	61757	76868	83790	70786	70064	63184	55332	79041	85145	72649	65196	70949	72079	64558	68842	69849	76819	71644	70461	70002	71988	72215	74935	62402	62782	77729	72242	65561	69071	67451	67630	69592	64893	63440	68617	69727	69100	82996	78530	67672	63733	79966	75446	78150	76550	62180	55448	53468	55020	54488	47751	64371	64161	50948	53328	54048	52435	56905	62784	54776	48958	16777	18228	20518	20155	19607	17154	22050	20976	28012	27105	23604	21965	21890	23212	23656	24531	24588	23498	24563	25997	25522	24713	30903	26426	27985	25047	28530	27743	28775	29670	28857	26537
289.9436@0.79061	24262	25879	24569	27861	25110	26448	21935	19499	33652	37780	30863	30491	27657	30862	14277	13651	41143	37248	28961	29708	22613	22713	12633	14082	28559	29321	20807	22314	14572	16040	43675	48066	57255	54491	46620	48897	51667	50933	38131	34836	49535	50264	34967	36531	18999	21435	26999	30573	39078	38108	18813	16160	36702	36392	60228	59371	56834	65215	37386	40490	25022	24763	32904	33878	33245	33983	39702	40855	30362	28005	33845	38118	27332	25850	53093	55028	56642	52715	27094	29989	14448	9963	28311	31863	31450	30932	36613	37049	25386	30355	37750	36111	15001	15185	40477	41477	42286	40837	42270	43717	37130	36787	33298	34360	43716	41285	58444	64265	25881	25938	47854	49670	51330	47819	51287	49978	56086	57519	57250	55026	57633	58106	45436	43263	14897	46294	40636	43664	31645	30636	47578	46656	27416	32310	31590	35510	47551	49152	40264	40194	50418	46325	34191	33113	57182	58370	35676	38074	55021	59305	52226	59132	41751	40458	20151	21114	35991	32852	48895	50659	21913	30679	31858	31143	11781	13328	16249	13024	16406	14815	25233	23924	18316	18201	18275	19528	13734	14784	13230	12367	12913	14053	10480	11962	13084	14263	16715	14450	15961	16246	10412	9696	22768	24254	12058	11342	14994	14880	13695	13421	18843	16821	10617	9977	12815	11021	10056	8526	10272	9933
C9 H4 N2 O8	15738	16899	18201	16974	16666	14829	13144	16967	18808	16725	14862	14026	15784	18127	14928	14311	14276	15561	16673	15597	15523	15529	16527	17362	17385	15319	16493	19327	17127	18501	17754	17662	16577	15239	17347	17939	15501	18362	18849	16787	20180	16547	14796	17106	18596	17152	16060	17613	18043	19276	18476	17648	21636	16934	19089	19708	18316	19066	9161	10470	9785	8503	10422	8949	9243	10471	8960	9810	11303	10243	9043	9591	16690	16609	14520	15528	14476	14338	15809	14866	13987	15212	14236	12281	15084	13764	14475	13779	14256	12558	13141	16244	11536	13895	15475	16135	19196	17534	13758	16343	17472	15232	17774	17603	14741	16454	16511	13226	17240	14514	14783	17829	685107	14577	18511	18636	18534	20545	16257	19516	21605	19388	21976	21551	17049	17656	20678	15461	20391	19293	21369	25437	15703	22300	19006	16632	19452	19309	22970	18131	18564	16919	20572	20985	18664	18795	22466	18881	19535	22047	17246	18866	23847	16984	20875	19856	22360	22556	19124	16266	21081	18491	21546	20338	25788	27465	25886	27364	23521	25816	23797	26023	26025	25333	25786	27092	21806	26845	19770	15208	19322	20755	18274	19913	22700	21511	19276	21454	17892	22303	17122	19926	19000	21401	17813	23488	17315	22295	19047	20474	22438	18349	18431	20990	19099	18960	18574	19209	22062	21166
492.3662@13.668377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11558	1	1	1	1	35596	39434	36728	19293	21399	19878	94447	159816	90653	2062880	1	101237	280443	32878	24072	17267	57644	19034	26218	21028	39760	39209	25859	187129	33389	36170	27536	44704	22194	32612	22197	134621	57745	170309	46160	28096	101479	117111	37657	30662	28359	2738092	45769	50056	230617	64871	37846	46198	47078	55842	47068	102802	37418	43229	78436	211749	52017	42263	41039	39135	159167	78450	162901	196238	51334	51199	49312	60840	168326	51286	53650	42105	181597	37474	43080	51518	52761	174336	34828	73903	42562	142177	41053	340937	134310	58840	39811	36617	129618	175414	154947	49692	45879	1	1	1	16062	328898	81813	230625	18384	1	308679	1	241567	669170	314637	43945	294331	1	307948	187925	354246	7307	94188	1	30069	324604	54058	336155	1	26376	223061	1	1	165582	219737	51463	565338	1	86742	33206	32969	14540	263526	26435	1	747023	925194
C18 H14 O21	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42101	40888	38748	41608	43108	41003	40141	41245	39714	32682	37783	35468	35321	34039	30989	35849	32651	54391	25731	28790	53959	32604	33005	33239	32058	30746	31995	34635	34908	34107	36979	34362	35690	31550	33265	35240	34496	31601	32023	34149	35503	29303	32229	38966	37382	33829	38047	36775	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
239.0866@3.333056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	229428	220538	243469	240488	231354	221434	252962	253761	254564	269930	251069	250670	213346	213447	256131	209455	340133	343740	289678	293643	338952	370665	341806	342117	350782	307942	331542	314454	246379	244028	278646	281059	295362	291449	182156	207058	432100	434930	442971	462097	493677	484081	450772	446193	484860	489392	478738	496956	513050	493802	495257	513491	510783	504493	689288	546920	494689	489701	517507	521386	535388	545190	527359	516086	514617	523456	513461	507730	503613	503072	488779	483041	481487	489296	519809	526691	539448	531365	547214	551636	516885	523058	514928	508918	511528	530222	545304	542600	498299	497028	522376	532046	519263	520403	517899	512972	439992	445399	508034	512408	535891	537106	511581	497215	510003	512704	294647	289778	309944	311260	303724	294861	288205	287018	304406	307567	339370	332167	300070	303945	345027	359667	326079	323374	344836	343581	312879	327734	301014	297724	337521	332034	303521	298007	318008	316190	344719	331714	287401	280127	339462	332839	301895	319800	303761	301299	332113	331765	311653	320561	326452	329887
58.9827@10.185589	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39357	57110	43083	54901	48660	58940	58381	55780	33070	58873	56768	43206	61982	60327	42118	40809	52499	43646	42288	55697	56860	62776	112497	62703	67338	50903	41822	54827	51776	47530	37702	47102	37631	36773	24380	47692	56159	55492	59176	59805	60282	59607	64503	85184	53153	53520	49311	57592	39539	58219	46518	61818	40153	51472	746694	50540	28374	25270	26660	25581	30219	29950	26975	31608	35120	28827	24776	21087	23615	30889	24233	29997	22478	32016	19871	23192	26238	20827	21526	25021	25762	30678	17334	24192	34337	28132	26093	30264	22462	37473	19082	19175	28683	24250	18573	25263	27552	31718	22876	33599	37890	33420	25395	26042	31652	36617	1	10582	1	9708	11710	1	12262	7888	8188	9295	17006	1	13995	7732	10623	7699	8292	11635	14623	8889	10674	9374	12944	12236	10248	10291	8637	8025	8936	8210	8302	12482	10494	11342	8660	9739	8806	8275	1	8644	9596	7712	13903	10840	11691	9767
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate	1	10073	11003	9865	12151	12260	12380	13278	10320	10432	10034	9728	7378	1	8019	1	1	10348	8593	8669	10314	9476	11958	11403	14971	15252	11689	12766	11671	14497	11403	14115	15038	15643	12961	12374	12883	11826	13149	10673	11937	11299	13115	10881	14011	12994	13117	13421	15546	14582	16443	15398	12067	17277	13795	17195	12473	15670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7232	10166	13293	10851	12725	11845	10153	13952	9595	12837	16284	14513	14382	14338	18084	15488	15636	16029	12202	14806	11072	10724	17295	17102	14481	14657	16527	14980	13202	15939	13850	15361	15564	15330	16739	16442	14914	13393	15393	17217	558516	18606	9417	10063	8980	1	10154	11573	14358	8554	9253	7138	9285	1	9914	9085	9115	11253	1	7136	1	1	1	7564	10588	1	1	11343	13158	10135	1	8420	1	10112	7783	8171	10675	10954	8409	1	12894	12206	9645	9453	10696	9156	10155	9328	13233	9099	9978	10355	21774	21859	20903	20838	20168	19841	20020	21973	19872	23168	19873	18985	23223	23665	25875	22532	21191	18015	19520	17233	17488	15271	17983	13955	17276	15480	16091	14808	20387	17941	16206	15544	17108	18486	15002	13743	12743	16026	16051	17860	15044	15011	13992	11598	14441	15498
166.048@14.154952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76755	32051	20751	10859	1	1	1	1	1	1	1	1	1	1	16656	7990	16446	9155	8684	1	14466	12475	6647	10510	22000	13000	8048	9788	9057	1	7781	1	579814	21338	1	6989	1	1	11037	1	1	1	12828	1	1	1	1	1	9829	1	13261	1	15945	1	1	1	1	1	10535	1	19040	15168	19359	12151	17413	1	9996	1	1	1	11190	1	8857	1	13418	10920	9984	1	14746	1	17558	1	15969	1	13559	14320	18032	15062	26443	14203	11006	12438	28768	22028	29407	26178	18681	17756	13690	11851	17136	13609	13882	1	14078	9803	12884	11487	12734	10326	12009	1	7889	1	10667	12930	11514	10040	9837	9731	21060	13324	17854	21013	9301	7410	14256	22328	14425	13120
2,5-Didehydro-D-gluconate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11206	1	116298	21893	180595	176428	20470	21065	25591	36113	14640	12418	187334	173446	11631	14701	25370	24069	27967	26980	31305	30856	107605	100757	44356	43083	22666	26157	658682	670018	178837	201444	242289	244536	1	1	346017	360765	47528	47849	26775	25574	47335	48331	24726	60623	65166	15377	11132	11908	65626	66191	23074	23604	130324	80864	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H10 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12929	1	1	1	1	1	1	1	1	1	14965	12690	18082	15719	1298183	3806115	4206646	3980023	3463500	2889329	2447340	2085725	1829080	1577124	981113	809556	733959	643823	549126	480834	200043	211007	165856	136644	113906	95453	93401	93770	98899	103017	126933	169191	183196	219343	254634	280522	286730	297904	315884	307431	425021	372103	140709	11005	101518	21510	8709	7772	66432	25925	83806	40605	32403	90915	7405	10621	57561	51465	44909	19275	19035	20979	22207	44416	25545	131770	48813	54712	66965	69219	53038	23332	48452	1	8533	7115	12126	37860	39240	28273	19654	77546	135051	13285	133962	6601	28226	61247	33380	34072	8658	24866	1	93973	1	1	31946	1	7185	136128	8705	10351	1	1	13574	45251	87597	90045	107771	11323	78657	40472	8491	15160	22602	58008	1	1	118034	18200	12011	10590	1	1	9750	8822	95615	1	20377	17873	12683	11472	13988	14602	22413	25523	11438	10886
95.9909@0.9220517	126955	129797	90136	94547	83934	90202	184591	187642	169625	168661	91747	88821	145652	146715	163165	165609	187193	167092	153560	145337	107829	111395	185490	186864	117303	124916	186999	189956	187990	198725	105385	95751	95669	91910	71884	73720	80848	84895	66717	73586	65200	64080	42687	38850	105205	100174	81540	80563	60870	74595	49798	50675	107851	105857	44902	34117	81258	75743	109638	106801	105682	106521	399596	409737	91686	88751	118811	123925	229539	221192	588525	620835	101308	100540	95122	99346	105329	100881	118634	128343	232469	227864	206459	219502	235422	235446	720146	703763	481553	488958	183685	206238	40203	68089	522737	502992	271583	292617	130514	123570	539305	535504	89202	88091	118795	121484	270692	256587	79656	86211	124716	119881	116070	101991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46464	45444	82938	83272	159371	129354	55381	50678	52514	49855	30125	27326	123476	92186	67225	58883	54567	55934	52254	49184	144876	138573	691500	315946	190854	157998	53659	51089	103929	99511	146566	153507	166340	137805	63105	65873	199408	134489	225775	185927	121735	112355	220459	183355	116313	109367	232567	116696	27733	31037	135433	118973	110854	113411	152085	123897	10465	8478	13843	14057	23496	20071	13874	13129	7165	1	1	1	10771	9452	7969	9737	1	1	10837	11089	8955	8135	11318	9515	1	1	1	1	1	1	8071	7961	1	1	1	1	16185	16275	1	1	106635	104498	7638	1	28642	26172	1	1	12141	11904	524021	537458	572262	502088	68127	59162	25178	25751	532579	462904	1323540	1062342	471831	443076	460665	442321	841767	718884	360331	363400	781020	683350	288040	258292	515028	483687	588945	566775	445629	411945	463770	446457	641556	510105	542468	533878	1505659	572287	22552	22599	861084	721244	1432669	1982097	716388	631679
Hypoxanthine	320388	333470	443721	439938	369857	366649	485052	501764	522404	507114	351518	364600	421856	418396	463800	459373	320857	327599	398355	407955	259995	261851	464716	487898	301347	307854	310231	302129	334762	359941	353240	360439	358696	368439	338527	341004	387045	375673	604933	594486	447893	426765	337606	366335	395763	387722	540350	552050	165536	167628	179563	198354	518246	514054	241696	239142	499661	486613	771201	1002220	1483351	1310927	1585381	1450196	1410771	1394971	1323921	1328361	1249140	1145072	1550029	1499433	1477132	1454144	1356857	1358709	1069464	779482	810670	1018222	931001	971606	1135669	1160777	1150048	1294885	1313090	1350625	1222933	1404900	1673627	1535732	1535966	1803113	1784189	1866609	1879858	1972743	1735041	1753208	1900536	1838964	1880265	1888716	1922557	1918725	1575363	1607961	1682364	1557177	1551531	1560043	2101807	1735419	147779	143216	103911	106833	75869	75261	107908	110498	70646	71235	107845	103660	138202	140834	165376	164219	102976	104370	226382	216023	195261	207110	85204	86358	119364	119222	89637	95437	145766	143928	66513	72243	125176	129138	98793	94274	126224	121727	133658	135190	208882	206257	91453	80902	115655	117858	159173	159521	98526	103412	95583	100119	151557	154612	184610	189900	54752	62113	209986	211607	125484	124714	255361	249254	128514	119878	108677	114652	62995	60201	242717	245103	217361	219859	158121	159575	280296	273681	144291	138679	160696	165377	172842	173799	92553	93198	201285	196937	81612	77421	186267	187944	246667	252987	209690	200753
Val Val Asp	28630	36178	32315	24246	27113	25339	36384	41204	40664	31208	26176	26668	26739	31416	32126	29199	29097	36032	32757	33676	27848	30288	32375	42052	26853	31068	31100	27110	35666	27232	29730	27273	24994	29125	22119	22715	24940	22256	24268	26533	24380	25027	23601	25163	27460	27231	24031	26942	26109	23949	25312	20661	26623	23698	23949	25592	29587	30895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14452	15020	14058	14889	14390	15033	19852	19468	22115	22426	20195	21205	14677	14237	13926	12485	12543	12703	10478	13924	10894	16573	20014	19323	22585	19383	16898	15511	19557	21254	16420	15934	17944	16613	12410	13780	18692	18717	16202	14778	568137	18919	26310	25517	22428	22634	26843	30248	24495	26602	21950	22288	24367	29025	26494	23782	24428	23170	22198	25682	27362	27589	24895	28190	27577	27973	25779	25740	20902	23658	24072	24721	25643	25044	22243	23746	20889	24080	21282	21149	24301	24497	29717	27074	21252	17060	27314	28623	25291	24846	22626	21762	21363	19894	20755	19378	25963	32619	29239	29070	25756	26693	27227	26144	25048	24298	17401	15519	17318	13033	18290	15685	24952	21754	30242	29628	20311	18357	22772	23157	21768	22063	17450	18572	25255	22416	18206	18822	25412	24934	25262	24625	23082	20568	25615	25006	23485	22267
313.9065@0.88300097	316495	328010	291372	286441	433535	432150	280355	282116	384876	384477	442238	445620	360895	362584	240691	232643	342042	344483	342992	333802	434753	436292	183468	183827	422999	439415	350180	356383	239499	225765	668894	657830	723667	737797	812118	766764	760332	758281	504835	512414	754506	781084	564736	595388	311064	299342	434691	440273	687924	688850	454518	482640	540431	537859	1027404	1020142	758045	742715	410492	394684	285034	283816	207619	204535	420823	425461	425223	435801	342810	352126	132937	140181	474750	457801	576020	550402	474496	363052	197230	199264	40801	39384	146897	159495	310178	327650	79683	88108	94662	108873	130842	128114	163555	203347	121733	122778	167930	177371	443650	455370	191674	192080	344949	344730	347436	350888	581835	585792	286698	280876	412719	397697	399835	411389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Probucol	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	179641	193754	186956	199451	152160	123956	337599	332388	118577	119907	26561	23487	321887	304424	448806	446118	102444	96756	568405	566762	435408	426569	125218	105484	112056	116102	46398	46141	241555	235864	370539	272205	142161	138332	90513	99810	299282	290042	307278	294816	465544	456654	908521	750215	276740	284240	257081	247065	17082	17259	243639	246683	253100	244628	179657	171129	25938	23516	15764	19317	22512	22134	1	1	63990	64569	16838	15784	13743	1	54086	58063	36553	33185	14777	15096	50367	51704	73975	66020	12158	10814	23906	25774	22012	24744	83043	82457	23548	23770	321829	316867	93101	93727	70998	118158	55910	56325	178355	176547	41725	40016	1	1	324730	326361	98729	98621	51163	51242	116500	114972	334861	335688	276827	283584	55697	56037	221404	221816	30199	31837	37906	35791	97585	86748	176506	172263	236396	238195	27628	28224	169720	170998	140464	130858	54246	56414	171055	166255	28655	26012	196322	175670	117749	121019	106346	97001	216969	213509	134294	132986
Lauryl hydrogen sulfate	137981	144944	130233	142325	138332	131044	128710	116955	130718	133520	125760	134671	178497	149987	135354	124209	168445	117317	167328	128510	127395	126353	121516	127230	140647	133723	127932	125882	143693	147550	126283	139668	130290	125161	114173	112653	138687	129698	121563	137792	125683	121716	193644	193817	117444	107060	116445	120096	228001	237864	135668	125598	136167	128033	134981	120104	223071	216624	62116	62040	63716	67826	71970	67029	52057	51384	47765	49296	65458	64117	99268	86808	38683	38205	36903	35555	25145	23533	43447	42492	74318	46474	48070	38252	37551	35020	23423	20835	25150	27463	38238	36961	28792	27832	41324	40150	50771	47193	54203	56480	40079	40407	34863	37801	38894	34986	37054	36883	56001	52468	35681	29081	582744	42335	42654	42155	57567	57519	95925	92012	39403	45754	43231	44510	43394	43030	40568	31685	38653	44045	28581	34493	35264	35039	133171	135485	59390	52753	40273	47207	34628	30810	48877	47874	65434	65634	68350	69629	48647	52823	34355	34336	63574	58382	50325	53491	207092	205872	50278	46614	41981	44825	48232	39869	31288	26532	44311	47429	37324	39452	43362	42408	46531	45240	49666	45353	42333	50227	40476	34331	35650	37028	40223	35475	46130	44770	44184	48870	33022	34055	50170	50677	44724	42874	41864	34890	63474	53076	44699	43733	86556	58687	67054	78467	66927	67146	74406	77056	95091	102641
112.0137@1.4070004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	318583	335389	68026	75558	733892	640334	219737	181565	890011	73637	247942	1	1	1274207	615621	622119	200061	204412	147555	120399	316617	311545	875466	869902	710257	788299	221055	179299	1069435	1042612	1097577	1062560	1134774	1350984	779837	972014	2293968	1	1093271	1186235	366386	259003	733698	733074	1	1	1423443	82355	1	1	105687	115505	116154	113572	1	1447162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H23 O S4	436850	423111	1579521	1612565	792155	779719	1660955	1616406	1055854	1027070	946240	909874	1047125	1052527	1153027	1142196	584424	589327	1232515	1220770	265877	259115	2290429	2318416	1403284	1500440	714034	708051	1113350	1129316	69465	65729	99557	100199	82529	86004	99111	100912	86846	92917	147513	155067	74422	71410	70748	71138	113271	111395	27443	28537	26481	30603	168724	155804	33394	31347	134924	141987	25263	21441	239696	246868	367438	350973	123046	124414	200419	199746	662974	657373	493172	491360	14509	13206	273952	254247	30557	31328	352540	356758	683029	663266	99365	101881	680942	680422	442196	398198	190256	185586	288965	295257	206066	236894	658831	655089	105883	98393	93268	90783	189515	177320	304187	310648	483195	483491	573088	556421	18680	20198	33405	30834	414411	388676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3S-bromobutanoic acid	447169	430669	455096	439237	400339	390215	430472	448915	425982	415716	429289	418279	456412	426651	409290	33423	459134	470461	427952	430662	419242	424303	431813	413098	398114	400161	451663	441759	448161	451849	377793	390971	350583	361641	352568	322783	363207	367228	343406	326326	372421	353734	360411	356498	426704	428676	106439	372197	444115	435801	220935	237416	117217	347247	401585	392639	321044	333121	574262	573793	477569	517439	517539	542385	466740	471919	443072	485141	478207	457983	733311	730963	325099	335515	355661	357736	399151	523346	623785	615941	696299	626701	612718	554296	427893	420856	612490	585765	505754	524837	526296	530379	263473	281064	511378	522311	473328	508402	388449	364463	437024	411307	357512	381149	377944	382782	367166	361334	397566	381162	363970	363112	378959	404171	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.0637@1.3089993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6738	1	1	1	365182	627035	630843	639387	461390	388062	404918	370288	434308	395766	155320	128848	129354	116515	98989	84779	99360	108808	39113	28266	30661	23702	36382	35139	23307	27098	53585	66220	73723	82139	118663	124663	113099	129225	138112	135660	111880	141846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13181	15992	15896	16561	16405	15954	18075	15328	13810	16031	15672	15598	15937	14343	13639	14011	16131	14187	14220	16515	16564	15545	35459	24898	19878	17598	16894	16857	18077	16787	15233	17244	15876	17298	10883	11485	15747	14015	17219	12077	15982	12703	14801	15223	12864	13867	18765	13506	10469	13216	14234	12689	13756	13061	566219	16998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0192@1.3924655	261866	259500	212260	233430	142664	143339	220883	232051	255889	267338	131347	138113	158768	190317	199340	189099	191434	225642	226779	208973	104438	115902	272565	283236	144974	142214	184675	181826	239973	221092	1	21070	30866	29998	1	1	1	1	48576	43941	33139	1	31356	1	1	1	1	42375	1	15459	1	1	64792	65204	1	1	1	1	490334	469370	116682	177938	910196	831379	338324	333505	131560	1407467	238310	1	3336946	1	993409	936320	293849	302248	233234	256544	407976	435812	1199921	1132559	1074662	430508	1	1	1703094	1686832	1379129	678743	1522896	1460282	1017112	1267565	827233	789002	1401118	1420279	446710	432177	756637	762414	144409	312358	165937	144082	1	1	164040	172943	147801	141264	1	186577	1177743	1244886	1053040	1067477	1243144	1318871	1409274	1227606	916654	920449	1217691	1128677	1132379	1099791	1389072	1337465	1334157	1293960	1308222	1356547	1290354	1343703	1429338	1463404	1396203	1384456	1211649	1286896	1356936	1277353	1169683	1200697	1087416	1085024	867043	886976	1233786	1205541	987932	1007577	1354409	1383511	972649	997247	1553640	1569882	1293158	1263292	986806	1050828	344477	344711	268809	350410	313917	293469	258572	250638	529655	485274	404377	386396	310816	338528	295034	302078	505606	487320	207970	213903	509679	502643	777734	786055	343940	371682	467488	496496	649612	646039	361269	315620	573310	553033	334153	546630	519703	512023	315637	329219	488952	508541	510388	508630	420743	464672
189.0276@0.9764486	419337	424433	437944	450413	371009	351538	445891	442633	428716	424551	367484	387851	420319	422320	391441	396219	433043	407853	414743	396315	310076	313032	471314	483368	392477	414671	410282	422807	458170	442653	30065	30386	36168	47021	30516	26935	28748	33284	21213	20054	33682	38627	36651	37953	42738	41961	28779	30831	27751	27884	20119	20940	30930	28872	25410	26584	42672	36579	324146	301643	341781	343682	366953	351389	332034	323138	361202	366060	331552	353188	386480	376415	254858	237179	337744	337717	345985	331476	349994	358394	363016	347933	380718	370872	330093	326625	326543	331099	332100	307740	338312	329833	200805	271467	420621	426544	426129	430228	359812	369349	422918	421872	405057	411469	419937	415354	348106	345112	385716	402004	400139	393969	615730	475738	134004	131983	141106	135335	126077	128109	181601	177611	83335	84761	178121	181916	158150	157652	188368	187450	154951	150679	199729	199275	172832	177896	167781	168021	177334	181867	202305	200117	175590	169777	140116	141529	144726	136158	104172	112149	185411	185750	116850	116639	141572	143262	97222	97587	180871	179583	219133	210810	112419	110707	55397	51923	50173	48256	45085	47806	49300	50733	99410	94441	52682	55270	92234	95584	48473	49818	67541	61578	37436	36656	69340	81350	153074	144240	62735	60305	74518	66844	109340	122481	54698	52263	100356	102021	42750	41922	74013	79459	76211	80031	70733	68058	78393	55944	106357	102942
PS(21:0/0:0) null 11.808432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1290314	1	284088	1	1	1	1	1	1	1	1	1	1	1	1	1	39720	35167	18186	16767	25952	34229	315043	239486	42415	34423	35584	40871	104630	112981	179827	91858	36653	35101	1	1	222718	92809	18066	1	1	66247	62226	46839	1	27594	119596	41662	41212	33382	22602	1	40987	15686	132328	54115	28590	21630	15646	1	35321	33103	204014	156958	1305817	422331	134611	62791	47168	32159	47797	34325	66367	78729	120757	72399	17669	20614	193135	51228	176045	66201	68172	37955	217773	111708	47012	37079	401591	65741	1	1	157293	81700	47654	51000	191954	33825	44700	51066	31899	25261	71718	67425	27664	30645	23477	22276	43426	39296	43464	41096	64655	56963	40518	43038	71588	70871	85789	78006	32113	28656	51507	51811	60834	57505	52817	50588	28872	28041	42084	42572	25403	26200	37686	43592	32647	28588	138173	123833	29093	28151	69945	66897	54492	65602	48017	52817	43551	47209	43313	36654	57433	38828	34283	25216	49901	23893	149428	120712	29014	52380	43458	38695	61462	38598	21110	46860	34030	19653	46987	29701	27923	21633	61376	26530	31038	18245	26548	25778	61412	24752	21962	19340	171808	22619	24178	20912	58159	30246	128118	192093	35227	41976
Aspidinol	44170	42264	48101	41374	38328	47852	46241	48442	44019	41577	47448	42233	40071	38255	32105	34570	63007	39835	36140	37736	44366	47042	49388	47579	55302	55697	52306	49052	52438	61256	53489	53180	45839	49480	58133	56970	53801	49769	56489	54439	57277	56009	52235	51616	51909	49390	51289	60101	55780	62630	74622	67930	70834	67148	72420	75699	60168	57406	43418	47457	36421	44129	46685	45568	47016	48273	50305	43950	48863	43335	42377	50099	24300	9646	13374	12344	1	15102	17117	24467	23895	1	15309	28395	13888	22478	17258	14322	16650	25788	9770	12270	17607	26913	31164	29562	23324	31895	37823	31319	40607	51487	23536	26363	22277	24531	22042	26424	34683	53812	24599	35925	1349635	35370	40518	37686	42272	38924	49336	33526	38146	36802	42718	38594	34369	46647	36311	38571	41676	45045	35598	36949	38143	37222	48555	46282	41293	40147	34759	40105	40818	39892	36589	45517	38598	32849	43607	42516	38552	46940	45185	48014	44374	42501	49164	61762	41352	41112	50776	42678	36405	42490	39272	33526	47850	48717	44980	41005	44808	49592	41366	49512	50614	46565	52481	52737	64597	62461	66531	75136	64604	71089	70681	73950	72785	71611	62854	71556	60046	62170	72108	67067	65058	68405	73291	61679	67222	74957	69684	63597	67550	69448	74642	72441	74260	71528	69268	66425	64938	77990
639.3744@12.087856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13696	1	38716	19046	70809	1	32789	27932	1	1	36131	12138	124009	15745	35985	1	1	1	1	1	146686	62281	772331	173504	52229	33869	33353	17564	41413	1	1	13356	56371	25042	1	1	103740	35346	77884	15209	16019	30300	115617	61602	12341	1	308349	48972	1	1	140745	68006	1	1	141074	20240	68210	52180	112044	107187	18362	50715	100834	89884	45276	38856	126268	55128	27892	138540	89042	78010	85344	90185	216036	208971	85949	35373	29708	63762	134902	134791	169748	257379	145510	165530	52363	44645	147060	152566	41389	34887	37222	48769	95333	90566	152354	69791	44363	44302	204007	215903	185597	192107	59861	60755	72522	98467	91989	67880	178255	122571	91116	63440	85258	31533	289182	164068	74831	37126	25136	23370	53268	38992	28387	22485	61854	20877	112183	46088	48115	41687	42126	35058	33645	21608	46517	49079	85736	25253	29590	31838	357393	32117	35158	24489	78794	33831	139545	206484	66212	33878
4-Heptyloxybenzoic acid	33925	40306	15247	17196	13877	12831	17639	14911	12143	20472	17718	22667	35500	26953	34148	34563	48542	21356	42787	27212	18601	13831	14268	21167	9631	9618	16613	1	11733	1	13681	1	35093	25297	41266	25815	1	42826	23724	29862	34956	36852	28797	26847	24124	5103	21227	30568	37419	38675	9510	10933	21604	15105	27096	22746	39788	29521	14377	15842	30714	30255	12946	16294	29963	28652	13232	14779	17195	18262	31220	24430	35388	33602	32921	31385	35770	36345	61155	64845	66473	55441	66075	57862	34643	39856	13075	31107	30877	30498	26532	31188	17581	28385	50607	44263	58716	67552	60828	59028	54455	60413	26835	47658	54501	52037	29122	28797	55235	52458	43013	24133	1345304	43044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H56 N6 O8	73907	76659	85972	86087	86744	90477	78823	79252	79253	80203	81407	78910	73524	71967	67549	68998	59963	67795	64504	69854	76790	83778	77764	83986	99863	98322	96457	98212	88767	91784	93305	90154	88823	92469	110114	116879	97880	96038	94389	92101	94459	92363	95019	97686	85059	93154	97215	99976	101474	106254	122710	120913	106746	113819	114427	120302	103553	102320	29416	31784	29382	30412	28811	30099	31668	31102	29279	33680	28848	29097	29939	25727	68474	67296	71630	74912	71190	69837	76407	72651	65553	69607	74699	70650	74974	71989	71966	69080	71736	71556	75116	79424	54798	70530	69646	75096	76346	84314	86213	87251	83759	80905	85959	83561	85331	89230	91543	93285	86755	88733	92165	88455	636147	97262	18892	19498	19146	20666	17553	18281	20811	17529	18757	20479	20703	19477	20658	21101	20080	18139	20118	20015	17770	19055	18050	16640	20165	18718	19871	19212	19598	18538	18134	21229	21362	19791	20720	20587	19709	20300	22256	19183	16586	19027	17577	17963	21765	20800	18722	18780	18557	19634	21463	20680	286066	285146	278007	289088	276734	277313	279598	278859	202843	208744	258325	263560	281096	280301	220462	199524	177060	178210	171058	176208	161696	154344	150538	148525	166315	155051	157594	156655	151264	155032	158669	160549	150283	151824	170630	165323	141334	153503	157281	156305	149908	161508	161442	157263	142226	143347
298.1617@10.002329	145455	309861	59830	34431	239834	240336	269617	223897	136953	226555	213145	221596	1	1	1	386195	266206	267475	314592	234139	302521	20498	136790	325700	1	287877	238151	14390	1	1	258067	243615	136819	1	255996	1	261341	1	13476	1	1	1	221178	1	1	30140	1	132884	264020	241578	244426	1	1	247067	1	240173	273516	310947	44331	47085	52988	43944	52816	36659	43143	51449	47947	49013	42963	43485	45301	53714	62244	61912	26527	22114	19041	29092	32510	27907	33549	27417	53421	50210	28245	25260	27701	1	16163	22288	22946	21128	21637	30658	36940	39344	37121	38962	38698	41166	31217	34619	49856	29396	28802	32990	29354	45255	42233	41816	27019	29928	658358	37730	31431	25193	34565	32509	63312	44505	40554	35521	31368	28204	38064	36882	40118	16214	56509	38180	27593	30982	33580	52047	41199	52464	30703	17683	57876	80395	18340	26855	39350	34089	41311	28141	47151	31567	49519	35845	34607	31657	39419	40767	39004	42124	55397	55666	38668	38382	40587	38801	24105	33313	106632	113402	111213	115376	129892	130442	128725	116307	52376	108084	127818	83056	116122	121696	92698	105525	109502	106108	90939	107192	111668	91205	111326	58450	106134	109132	100266	93724	106376	110718	95572	97114	108060	106452	99761	105879	118596	107173	118364	107265	104721	107327	113129	118542	113442	94973
404.3134@13.678002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67347	19769	61872	56866	37074	40014	43814	18262	1	1	1	71132	36874	37341	27989	25201	40698	20062	16036	12718	60380	30943	64838	40611	93287	88755	83029	60573	15300	35961	92707	57724	74715	55623	96980	55172	109983	28259	26531	72642	828732	22384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.85927486	554295	555348	550626	592131	600192	595913	587204	575882	615901	569309	588154	590542	587609	580447	524336	557665	614878	610087	598329	595443	602997	581367	543167	531718	576720	603871	580458	566541	570663	570023	667324	667611	655650	658396	679918	656484	662197	679189	648269	644574	659008	658863	648228	663112	633404	640749	639938	654729	648264	660395	486631	483726	628024	630793	702915	677759	662671	675871	547754	551701	558894	581948	484419	478145	588871	606575	602705	623440	595785	613684	415899	420375	392186	385825	505345	507115	531143	651928	620628	629753	463530	442443	493086	468148	569462	527984	308973	298718	338240	355089	358969	347316	406123	360401	367631	372890	390112	410117	540053	528799	433109	437726	479998	501698	519230	517950	574516	582178	498440	496147	516654	521724	515441	518608	640969	654911	679838	695455	546051	549790	697748	705782	685631	689611	710179	701006	658511	686177	671406	670628	711574	698599	675249	673144	728618	718979	755729	717740	689567	698933	735746	743289	726723	737332	783279	794542	723026	694501	782655	775821	763920	743330	710955	763140	560922	536563	753735	728479	607711	586443	694692	735905	726557	776179	405505	413586	424924	436581	405913	409705	556677	545565	408078	421358	440168	459012	559475	584363	510258	479745	466815	485324	500371	503061	457965	450746	455670	448412	484122	490862	454408	434672	472030	477103	463647	475298	429367	435042	501054	502508	459254	468235	622490	649507	472619	462423	445300	436988	470841	449920
208.1093@8.611561	28641	34500	20711	22717	19853	18325	29382	23312	31089	17129	28577	1	35449	22529	56505	15454	149018	29615	45668	8612	19164	16980	15719	17951	24229	20221	20663	19896	21827	18265	21310	21668	17956	27122	23211	19725	35953	31466	19726	22787	23587	18368	20177	16282	24986	12550	29147	14008	28234	19560	22037	22097	31686	1	25460	23811	22490	17377	1	1	11840	1	1	1	1	1	1	1	1	1	1	1	22049	20864	23257	17301	1	24504	1	1	16736	25949	17916	22377	14363	25050	23045	14794	16000	19985	19228	23703	17339	20200	25876	21760	16497	1	1	1	1	17594	13819	15683	11084	1	16664	24080	19085	21199	15689	26243	835955	1	1	1	1	13920	1	10947	14550	1	1	14486	34258	1	1	1	1	1	1	21289	14393	1	1	1	12814	1	1	1	1	1	8913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23270	27303	12348	1	1	18994	13391	1	16429	14898	12748	14257	1	1	1	22694	1	11053	1	1	1	12657	1	1	1	1	1	9999	1	1	1	16677	1	1	1	1	1	1	1	1	1	1	1	38450	1	12314	1	14154	1	13055	13100	1	1
Phosphoric acid nullnullnull 0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2092621	2079926	1958703	2015562	1947141	1996160	1827403	1853993	1826656	1779942	2025053	2073953	2909577	2826142	2775246	2628442	2011813	2039331	1650729	1676264	2068353	1992603	2544517	2431227	2342117	2154210	1928142	1943657	2661479	2623834	2323977	2477694	2487570	2422052	1876027	2193248	2682849	2737349	2473466	2491860	2303893	2335338	2413108	2420234	2637682	2683389	2465961	2258427	1980024	1966629	2826459	2854883	2364976	2216526	2968577	2430978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
651.3751@12.199986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40806	1	18688	33910	96626	12700	60660	17102	1	1	108189	45462	130638	25463	25939	1	11809	1	1	1	95070	14406	891252	243280	139203	84194	87167	28203	40131	1	26214	13418	47611	21746	1	1	174304	24783	85753	17861	24862	17185	211647	89227	22996	11783	408703	38495	1	1	77021	44521	1	22259	167553	26397	77008	95106	107779	116633	113584	108715	103619	110473	36011	41544	147771	132270	168834	151889	213550	28227	113523	107181	268394	247021	103644	79767	68773	70565	130070	149576	229479	266667	172987	148080	47784	48923	134651	159728	35514	33771	121330	125232	83594	100307	67250	103434	42564	44529	226310	158368	227975	197036	63752	61999	78327	48089	42268	31762	57462	60512	30779	32570	22518	19231	199728	133782	27360	1	14444	1	39952	29416	45841	28867	27621	1	118188	42297	23512	22353	47455	37094	39148	1	22475	22677	66612	1	34329	18589	197402	36575	1	1	41330	44917	96596	160063	51841	24768
> limit null 0.78693414	1	1	66671	1	1	9624	1	1	257655	1	1	1	1	1	1	62622	14668	1	1	69186	1	71405	16774	61308	57785	69824	8711	77296	157895	352607	32204	88687	47856	96876	110155	86696	90237	66004	59511	48637	1	113303	100018	121265	73953	67508	65395	81465	22131	58643	18145	84545	82711	89526	118546	75255	14834	100574	296514	259706	405326	652039	304003	233651	309236	340213	334712	328177	349413	280965	269509	282881	48125	124256	152040	92767	81520	61239	138658	52305	43038	70601	71846	516459	38764	69752	16079	11684	621369	61081	72690	73587	6628	306010	51898	53611	1394117	23456	87011	43553	56345	41087	66080	6909	35847	55023	30623	46128	286213	26899	44178	10890	131467	45276	65876	34818	96503	69151	87362	60761	63217	53055	66489	34002	13915	87211	61910	45000	57021	54350	67682	54288	411812	396512	379916	434714	349183	506349	305828	360293	343113	362832	404105	419675	340293	324260	315160	321105	299712	271176	351168	385617	332609	306948	303651	339129	308309	319270	7763	11076	338583	346950	322452	312956	73747	314780	68832	28785	79552	16763	85602	9034	43790	365983	68055	74586	63569	11541	426435	449539	92112	428662	5032	10584	64104	7367	12318	68941	65416	73577	75167	75024	13104	52057	61010	64747	66552	53342	33811	65580	75246	8277	32325	21378	60743	10690	70024	77747	79994	45388
452.336@5.329384	2254770	2343044	2283600	2408260	2326816	2202587	2047860	2125752	2126664	2120180	2093609	2141611	2137040	2051552	1978555	2058467	1856608	2123096	1966623	1913365	2172282	2209229	2227906	2390232	2589492	2670579	2542887	2567330	2407674	2627762	2461818	2446568	2499653	2520602	3147917	3165881	2680866	2567908	2686772	2657481	2637653	2595983	2597909	2517161	2482197	2558200	2528862	2649612	2629072	2698005	2919917	2883383	2755342	2757512	2693311	2621813	2647081	2620990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16412	16325	14287	15338	13929	15079	15573	13485	16344	14210	13076	14044	13324	12999	13923	12511	11841	12054	13682	12214	14775	18446	15381	15649	17822	14701	15083	15590	16230	16956	16919	15937	18800	14525	15554	16466	16146	16020	14588	14572	560774	19059	1	1	9327	8933	9466	8767	8367	8578	8457	8768	7414	7320	8153	9699	8123	7288	8028	8655	7763	1	8022	7822	1	7997	9572	8632	7778	1	7785	7568	7598	7257	7561	7548	7823	1	7806	1	6947	7945	7490	1	7363	8007	8604	8313	7669	8340	7619	8522	34653	33814	31668	33824	31538	34413	33620	31998	30417	31760	32094	32351	34753	35083	25035	20535	18490	20011	21606	22479	19673	22447	18784	20901	21775	20780	21025	18640	20207	22252	21390	19624	21375	19941	19854	21003	17332	20797	19400	21282	18444	19111	20779	22750	21016	20388
C20:5n-4,6,9,12,15	303027	248796	53424	113356	42048	25023	40181	12354	141208	59501	44060	62036	325652	58566	230913	118823	1156075	146702	193007	55151	103249	136484	11192	18664	454786	125853	70239	24893	62035	37876	1	1	1	1	12880	15442	1	1	341726	225080	7133	10597	1	1	1	1	126040	41623	1	6701	8445	8597	403176	106156	1	1	18023	19276	1	1	1	1	1	1	1	1	1	1	1	1	7213	1	1	1	1	1	1	1	9129	1	485180	130110	34847	6488	1	1	1	1	1	6241	13689	6525	1	1	149457	26138	96236	25527	15498	10209	202402	62868	9383	7204	277782	17362	9009	6150	40988	15134	13420	13153	51384	19704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	168687	205720	272514	198173	1	1	1	1	47399	23385	1340085	867090	49805	30080	65278	51365	303658	186051	71716	63470	89812	40696	8700	1	69669	62056	71136	62939	54766	39202	102145	96888	68167	25635	78678	80215	1144121	55050	1	1	170780	79141	594310	1466302	84616	44939
621.3648@12.49337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32049	1	1	1	1	1	17522	1	32821	1	1	1	1	1	1	1	33189	25275	678985	151778	43180	1	1	1	1	1	1	1	18690	1	1	1	55243	1	45787	1	1	1	60317	25306	1	1	189857	15973	1	1	42256	13607	1	1	29302	1	17025	30162	25573	22760	34969	33419	21563	25446	1	1	34306	39402	29439	31086	46387	51655	17360	15001	52374	57909	1	1	17254	14223	33473	32202	54496	68614	36797	49539	1	1	29427	31141	1	1	24803	36165	17724	12962	160079	129901	1	1	58397	61935	50330	50834	1	1	33669	45810	38311	25243	19829	1	1	1	24486	1	151825	171884	1	1	1	1	30267	18370	1	1	15858	1	16134	1	13231	1	1	1	1	1	14789	13751	26448	1	13869	13397	177210	1	1	1	29255	1	65727	144660	18923	1
(6S)-dehydrovomifoliol	149582	161080	71333	53924	60385	61297	70956	53246	100155	96221	76932	81914	169096	141378	193555	169475	310486	138966	81133	107835	67149	70110	51485	71170	50045	48259	59135	33534	47829	54091	58562	80187	89957	92075	64131	58450	100316	94053	95137	97059	132943	130781	91977	77007	51000	52827	128139	117829	13232	17475	138704	122603	172151	148074	14190	15490	88095	102368	85381	72660	182240	148860	65433	58229	101265	116264	37985	39779	141243	124952	80323	69515	213669	200248	101957	116386	119413	112193	218563	210025	362211	264323	201201	191784	179751	181052	68408	74322	82830	91272	76857	65494	192341	164676	150130	117286	173975	136470	180673	161086	211684	185379	151577	150671	193289	156825	60681	63712	319082	292860	179673	164013	255745	195102	174063	161206	183429	163035	222158	164278	156410	144689	91181	110801	117853	100659	102176	92752	138372	125006	93495	106276	145718	137913	154640	163837	174341	192366	52948	61792	44977	47886	51178	58139	142834	124502	81771	81277	38950	49887	151891	159093	73045	69906	331951	376965	82060	99776	169161	159193	83281	91235	131704	122480	65679	69907	75362	69644	54717	55330	43135	48727	123195	126599	157290	146440	201631	203661	75544	64539	41231	34755	53276	52013	86396	86465	151894	131768	121422	141421	27284	30135	49559	55212	104659	102505	109687	100997	58879	50220	116657	44609	23493	33516	46280	39322	37289	51824	59501	36373
Acetic acid	22637	69278	92736	49873	1	66272	49255	96093	95117	98191	27904	73732	66833	72446	86839	44023	20557	73973	79733	37234	53405	57300	113306	60634	83642	86420	79790	42749	69359	124603	404122	367324	711401	666133	521758	527870	391951	386272	893881	904576	390514	456281	477302	491641	483698	443019	878676	911440	225711	231469	207001	239013	982195	954509	239747	232060	744343	679558	715586	824993	2233406	1152895	1693596	1133152	3964372	4213241	902810	577984	1155715	741557	644247	772348	1893615	1459571	2089841	1259194	506442	1023605	816604	715176	254127	173362	889963	679296	926211	842667	278633	423798	1354294	580017	273976	281495	575736	522775	834995	325114	975381	813830	674590	649481	875991	866795	575784	790716	840136	262430	756432	725923	593904	569402	705475	1664826	1822956	1169266	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Furmecyclox	24814	23299	15089	18354	20467	18223	18053	16044	18770	17071	19187	19315	21032	18896	20256	21431	28994	23438	25554	21002	20555	20312	18964	14669	15341	14361	15879	18130	16222	18326	15946	14475	16897	15157	13759	16199	15925	18928	20946	20397	16996	16346	19874	19115	17986	16946	20351	15962	17415	13706	17023	18230	20808	18819	17967	19333	17588	18436	19384	18315	19855	18292	18824	17154	14628	17033	17684	17744	17619	18020	19842	17810	13613	8856	10549	11502	12370	12464	13798	14906	19455	18308	23545	16395	12764	9570	11082	11334	11230	9794	11986	9123	8923	8779	12381	13254	13789	12229	11287	11579	14361	10793	13269	11711	13104	14596	10307	10779	13393	11633	12164	11772	524100	13810	13909	12916	16747	15018	11972	16287	12800	12653	12201	13176	12674	14340	14357	16848	13551	16218	13454	12642	19244	13997	14735	14467	12471	13047	11926	15771	14840	20320	16356	17861	11937	13506	18550	15199	14733	16394	18051	15533	15180	12833	17426	15934	12401	14017	16679	14936	16218	15666	14912	11674	16180	16453	13963	15889	15274	15073	16801	14648	14493	16664	19401	19449	15265	13566	17063	19312	20593	17495	20753	19447	18760	17989	16461	14882	17798	15815	16920	17557	16322	18840	20490	18860	17807	18892	19157	19560	21697	18870	20166	16255	20555	20030	22411	19342	19103	21890
C8 H4 N O6 S3	42493	40791	41088	44876	45836	47090	34627	40157	72251	73318	49362	52855	48747	56935	30385	22228	75013	65848	45871	46986	36760	42879	23269	31331	48813	63652	41582	38080	34485	32853	67835	68962	81136	85299	73431	65574	73515	74942	61147	60950	73754	77025	51894	55836	33862	36457	39025	50217	52223	52903	16926	16784	52689	50502	88366	88056	89295	89829	53127	56148	36074	37898	49305	49068	53569	51524	55889	57430	39384	40063	55032	49680	31867	29744	72257	74885	77786	72627	34373	38909	14273	12215	39892	42026	40850	39417	53287	50008	33028	35708	46262	49093	20124	21682	62417	60652	62800	58801	61787	63976	51604	48611	42977	51625	56662	54037	79552	83332	39951	34475	61881	60933	67382	67397	155182	150442	160542	158192	162817	151196	160860	161468	118166	119478	40783	109245	113827	110671	86468	89232	124337	122102	87024	91648	94066	93462	118732	122852	107202	109958	116029	114702	84868	80400	131385	131953	103157	95354	135287	133848	135747	124575	92962	95455	62193	55877	83273	86248	109556	109991	33928	70005	77841	74631	30052	31061	32982	32819	35667	36622	59075	54544	35443	36209	39723	39672	36383	33655	26836	25275	27265	29154	25033	25373	26452	25449	27718	28313	27323	29999	20572	19213	44424	42391	25140	23581	31403	28035	27195	25637	30168	31576	18675	17775	23281	26020	19521	18802	19487	18455
C27 H47 N5 O6	1	1	8535	7900	7746	7677	7526	1	8072	1	1	1	1	7265	1	1	1	7509	1	1	1	8228	1	7889	8934	10628	8890	8812	9482	8761	8167	8641	8342	8686	10895	11581	8767	10438	10249	11414	8507	8716	8568	8647	9057	8935	10519	8838	9987	10481	11372	10702	11000	10809	11522	12986	9291	9516	1	8282	1	1	1	1	7847	1	1	7108	1	1	1	1	74865	70771	66953	70750	72402	68808	68482	69551	63020	68747	65509	67494	69000	63531	64365	67135	68488	69172	72659	63703	69204	81645	75652	78358	77832	75021	81707	80811	69421	75215	76975	80083	71768	73230	78834	84595	74808	76191	80567	74292	615636	86871	30292	29701	31947	34435	32236	30423	35219	33371	30616	35632	29501	32723	31703	31536	33652	33237	33587	30976	32937	32426	32299	30380	31042	29796	32262	31181	30689	32265	31126	30100	31649	32979	31533	34716	33977	32874	30894	34899	32772	32067	31314	34548	33996	33064	28417	29969	28673	29509	34022	33655	88961	94296	81837	86952	74234	85318	83448	86713	77665	68522	93489	84538	80916	88635	64282	63813	59818	61606	58660	59624	64166	60031	60925	58819	57414	60754	62658	58438	64996	62264	64459	62482	61600	59826	59060	59462	55705	59016	60358	57018	60977	61612	64560	63492	57233	62059
889.6311@17.419003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21760	1	1	1	1	1	1	1	1	1	92722	64783	685918	178136	60657	1	1	1	1	1	1	1	57063	22821	1	1	77185	1	79191	1	41076	1	84182	40399	1	1	418450	55366	1	1	74681	34639	1	1	68943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.0082@0.70647347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1620223	3107608	5783239	1	1	1	1	1	1	1	1	1	3108863	157637	3268791	1773820	1	3047745	1	1	1	2792420	840240	2094115	1	3118770	3153429	1.73E+07	1	1	3240148	44345	1	1174947	1	7732977	1	1592004	1498049	1	1	1	1	1	1	2816549	1	1074877	1	1	1	1	1	1	1	781985	1	1	1	1031578	1	1	1	260909	1	1	1	1	1	1	1	1	1	1523152	1	1	1	1	1	1228071	1	1332959	1	1	1	1	1	1	1	1	1315591	1353934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1538803	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1408146	1	1452501	797649	1	1	1	1495557	1	1714321	1514365	1	1	1	1	1	1	1525122	1	1	1
336.0581@9.461636	12792	10934	11782	10939	10925	12308	10953	10818	9192	9486	10064	10429	9872	11278	10643	11370	8722	10518	9468	11083	10589	9690	8936	10856	11257	9731	11387	10533	10316	10712	10074	9468	8907	9755	9362	10510	11066	9048	9646	10470	10417	8479	9221	9746	10375	9503	10280	9632	11024	10591	10843	9653	11242	12193	10072	11064	12256	13262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7065	1	1	1	1	1	6768	6777	7609	6781	7604	1	1	7689	8195	7842	8539	8437	8192	7487	7785	7004	9051	9056	10417	7500	8027	10317	9593	9360	9438	517276	12074	9213	8310	11003	9131	11282	8846	10585	11010	9651	9547	9475	9453	8881	8467	9280	10999	7495	9579	10408	9763	8854	10213	10990	9738	10740	11250	8239	9354	9578	8765	8734	10023	10382	8983	7927	8228	10536	9518	9625	9717	9804	9860	9084	9449	10481	9708	10082	10215	9678	10923	12494	14969	13019	14234	17460	16114	14299	16750	13735	15872	15887	15406	15008	16155	13138	11487	12139	11633	14201	11609	12054	12696	15002	15117	11643	12061	12101	11145	11231	11959	10154	10741	12845	11043	8753	10540	13210	10589	11566	10315	8112	9775	11190	11698	13023	10486
C75	92570	79737	59953	61738	65912	63939	64935	68507	64408	62057	73505	78086	64925	61536	68519	67380	89547	75001	62517	66186	94475	93251	79533	95774	63109	63353	58147	58258	77710	84006	63198	56226	59919	58879	68544	70900	71889	67446	68244	71642	64811	62362	75676	69833	67601	68533	61222	58349	35034	35869	16850	15634	51462	55200	67420	67316	64746	67632	13722	17429	56798	53047	27624	28854	20248	22941	39411	43580	26893	25014	18380	16570	14869	17235	15743	17026	13534	12674	19559	14204	22066	20182	32337	31556	25067	21766	80966	68104	60890	62022	9870	12681	17035	19590	89526	88940	31926	33314	69930	64408	16330	17493	16141	18471	11975	16643	14845	13922	51189	52203	23572	21470	477034	76209	23570	20539	11936	14161	9194	7320	18706	15225	8874	11158	10580	11160	17477	18162	10465	10737	19154	22324	15486	14878	13486	14237	63703	59202	21415	19227	60704	60120	29374	22705	61939	60920	69821	63693	81379	78845	41112	42142	64701	60411	10532	7655	12507	12534	14039	14280	52018	53684	47975	48167	11506	14062	13025	10883	8030	11652	14083	10767	16138	15723	39383	38136	24429	27021	41839	44487	41062	39826	47450	44885	48206	48510	50869	51213	46298	47204	50143	48292	48420	47390	52877	52789	41767	42033	46127	50427	53740	53058	47506	42967	44996	49469	45641	45020	44277	48231
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C26 H44 N7 O7	12687	14916	14714	14513	15934	14142	13179	13114	12281	11267	10521	11020	12061	10711	10813	12163	10624	11077	11165	11237	11282	12105	12474	12863	17198	18084	15615	14974	14778	16983	15131	14598	13962	13420	16505	16913	16627	15786	15376	14262	14254	14713	15114	14031	13690	13239	16101	16401	14022	16720	20450	18331	17146	17579	19335	18146	15025	18206	13986	16661	11450	13216	15441	13559	12851	15538	14657	13429	11948	14814	13881	13561	29696	22762	22883	22632	19969	20480	22486	20800	18127	18731	18350	19213	17814	20068	17899	17884	17945	19987	18322	18142	19161	23417	23547	24173	24631	20971	24269	23534	25868	21933	22075	24669	22038	23176	23728	24815	20561	21041	22849	24550	585510	27194	11007	11957	11300	11324	11139	10911	12201	9535	12748	11389	10573	11648	11536	12115	10144	10593	12133	12356	11117	11148	9266	9897	10471	10547	9747	10999	9569	11936	9182	9374	10779	10264	9975	9953	10290	10226	11132	9681	10999	11363	11450	8669	9706	10723	9757	10475	9829	10593	12160	11367	56755	54752	55992	57647	52912	54189	55496	51581	50413	50450	50557	49252	54564	52185	39266	38302	35614	38184	37955	39052	35729	37376	35845	35845	37311	34524	37363	35809	34016	34863	36473	37476	35499	34304	33573	35255	34679	34850	37239	33716	35488	35101	37640	38000	33824	34066
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C30 H37 N6 O7	304467	283636	101264	137501	116503	114667	91098	71938	191286	147419	128431	139468	418437	204234	410984	268668	762303	170333	280657	159281	204359	271140	102015	99807	262545	157996	153438	118117	108492	95486	1	1	1	1	1	1	1	1	27063	22268	1	1	1	1	1	1	22925	15762	1	1	1	1	24961	13893	1	1	1	1	27283	25092	44562	40880	92409	53843	24107	20318	33525	24162	26130	23773	64202	41705	16954	18620	22778	22799	22997	19290	52145	47820	577125	216466	92330	56890	36704	30313	39728	36435	65638	65655	95066	76232	19992	18524	98178	49851	100741	66251	44804	38754	103800	73071	43990	38295	133669	41680	22754	19917	56463	43648	40906	41929	53101	43853	1	1	1	1	7922	9754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7178	1	1	1	33050	32308	1	1	1	1	1	1	1	1	59170	61320	51443	43965	1	1	1	1	53057	41197	164198	125321	21040	17981	41499	32359	85265	61707	39054	34495	67143	52966	19139	15416	43933	37651	47040	44558	33218	30113	40887	35291	57297	36271	46993	46915	182099	45529	1	1	89257	58113	175376	264506	55647	44890
C15 H5 N3 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67984	67658	70806	69267	264591	258911	40627	36475	44993	45172	52288	51160	363604	357045	49888	51019	46224	40133	38118	30325	49789	53739	259535	258715	188188	200379	49889	51751	470111	460984	349480	358910	328779	337182	89416	103045	382800	391760	291419	290522	48636	50446	229475	236290	95097	91702	87391	87513	55724	58335	90598	88457	72551	73888	99374	102145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
579.3998@5.6719785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	162812	178580	163132	152609	162431	165226	181285	172532	173593	178771	166920	156810	149978	141372	175830	158855	169081	171017	162113	165826	189751	175767	131484	159437	165625	152937	166056	171996	153147	151861	171216	167734	170412	178205	146727	194807	167754	185907	191899	222433	209584	210922	208061	195273	212686	219590	208079	221285	232538	224539	210382	202195	214674	217460	1044525	243441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17207	13851	13500	15807	14438	14484	14539	15413	12214	11662	14238	15385	14813	14895	13506	12259	14111	12246	9937	12282	7890	9306	6611	8154	6888	7064	8528	8131	6307	8774	7586	7053	1	7164	6886	7596	6536	7561	8494	7622	8043	6826	7884	7926	7677	6597
C6 H3 N2 S3	116205	117494	121828	121330	63682	64870	123919	122999	113569	117920	66725	69858	96691	92989	78534	86083	110775	112768	98495	99065	52306	52542	136262	152679	93681	95239	86162	83236	127189	130102	34448	34233	35665	38134	40476	35047	39797	33058	36034	35597	35120	37213	34714	35892	31967	33297	36365	37474	32432	36998	28271	25245	43735	40848	35659	35518	50377	47722	166305	175324	167497	170276	371380	359988	135183	132019	129167	137983	96431	103719	476669	471234	89505	89839	104029	100963	137167	129878	176489	203145	444297	420458	331681	341013	92814	93814	568891	556940	443283	466081	449804	446755	190553	188123	445814	441660	357316	358840	126143	121677	304121	306410	174287	184165	167688	176599	81925	73706	157616	152229	151279	159704	197020	197972	10039	7491	8973	6374	13881	11960	9678	13101	1	1	14768	14280	11728	11950	17730	15878	9082	10229	23966	16104	13404	13739	13305	8986	10577	15328	17892	23792	12797	12549	1	1	10543	7110	1	1	13918	12000	6527	7122	23165	23813	1	1	37282	33569	16863	20841	1	1	1	1	1	1	1	1	1	1	17807	17527	1	1	1	11321	1	1	1	1	1	1	22441	18898	48871	50518	1	1	25884	18519	27074	27748	1	1	31405	28983	1	1	18313	18358	1	1	15397	23023	32642	35206	23229	23220
C4 H2 O4 nullnullnull 0.87912244	8091204	9197637	8992158	8578043	8833700	9696740	7466924	8798495	9245553	8400684	8485856	7226247	8213489	8776044	7336411	9033842	8508280	7641333	8734906	7703560	8681273	7755966	8362863	7323047	7702500	7883044	7660711	7728696	7425438	7641405	9144193	9020404	9484170	9020465	9876422	9124315	9235044	9131240	8405058	8410053	9139969	9839623	9369365	9925839	8662356	1.07E+07	9590339	9750803	9855501	9641646	1.04E+07	9860837	9807886	8703093	9743296	9579142	9273098	8544064	7085877	7777881	7025058	7850648	5020271	5327181	7710865	7417279	1.23E+07	7570303	7344855	7154945	5800667	5750541	8098887	6600438	7853126	6312446	7282588	6658746	5803904	4710922	8098996	4038333	4287495	4578884	5543888	5533826	4013099	3969437	4386775	6112725	4768130	5839234	8247121	8115973	5467306	5566999	5456769	5810189	9238349	9051310	5988224	6087935	6696987	8301484	8301038	6705623	8324360	9239561	8361464	6732206	8321358	6809588	919495	7046748	51490	3276963	150495	115059	78047	55324	3301344	72730	156729	5220305	1.02E+07	3268763	3427633	562659	79091	7405233	67288	73679	3318552	7618085	54000	63254	61729	85612	3365884	70290	1.02E+07	8911210	3304288	86184	3471882	155869	9372752	8843212	8849464	65696	3356711	7743397	3362818	45133	66937	3387461	48721	262051	8686024	9299793	75103	66271	176950	91809	244308	228692	7453346	39583	551165	3109913	496377	45505	3064887	7725640	218117	54410	7437150	7974267	14990	277510	113944	8061124	16124	503191	7815826	7758187	8285756	7500048	247440	250105	7808942	7718773	8346978	8564747	27922	308079	8784728	7596190	301332	8928272	103850	7753393	479714	562547	7820306	8717424	7657813	7693028	7823478	7746966
4-Heptyloxybenzoic acid nullnullnull 9.171553	27508	31396	10328	10802	13813	12453	11526	1	19415	14974	15638	13673	24309	28857	24285	31313	45396	18160	20169	17620	17528	19754	12821	13632	1	8793	10991	1	11976	1	10670	1	14371	9376	9904	1	15134	1	15506	13206	14555	16294	10308	10348	1	1	18154	13250	1	1	1	1	23062	17186	1	1	17770	26157	1	1	10664	10154	1	1	10064	10850	1	1	1	1	1	1	1	9900	1	13885	8367	13544	23685	20992	65642	29872	31032	21208	13058	12833	1	1	8252	11387	8677	7146	9208	14487	20968	14568	29265	24875	25359	21386	35485	20710	19872	17235	36388	23257	12639	12318	23767	27867	17999	14649	427995	18678	15141	8372	16638	26955	1	23840	15668	19835	1	9690	1	1	1	20394	1	14041	16248	1	17425	19621	13981	26076	24599	17522	1	16832	13466	30814	1	14941	9974	15907	1	9851	1	1	13410	16724	1	1	42720	31965	1	10807	1	1	11617	20172	15545	14366	21113	27661	23664	20350	33525	20699	22734	39001	31852	24731	22235	24919	28550	29696	16125	17443	12268	15840	16232	17857	15793	14077	26831	12829	13937	21383	9785	13381	13129	13392	13956	13214	17177	16220	11047	13946	19480	17199	17256	14879	18927	12027	18473	19850	11628	12349
589.3382@10.896268	140785	125164	66822	74347	90398	84743	68404	61167	102824	87787	98178	106248	155198	97842	186443	139399	453136	121482	162480	115654	118181	141922	111738	113916	119851	96438	91601	81516	93846	85702	1	1	1	1	12873	11497	9829	8695	61594	51279	21262	16962	1	1	1	1	54917	46421	1	1	1	1	58570	40698	1	1	8826	9803	39474	39189	26120	27262	59504	46914	13531	12621	15397	12805	9318	1	67050	55186	21933	17924	12539	10301	21705	19887	63375	57872	384322	157720	79236	64500	15397	14386	65183	61240	67583	70345	84143	73212	26960	24267	94206	62941	104822	81182	48705	39711	90708	71591	45023	44722	108659	43657	1	1	59713	49903	45740	44575	49769	34949	1	1	12406	11806	30294	29861	10374	10637	1	1	1	1	11986	11739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11690	12764	1	1	118460	112788	1	1	35487	37191	1	1	12046	12477	46285	51406	57284	53278	16269	10162	7328	1	55180	48276	131397	98812	109726	105356	48877	43596	79921	65108	40400	39453	90120	81346	32641	25914	45489	47031	73694	68988	51539	44544	53091	53834	87088	67012	48699	46713	167314	62820	1	1	96493	78000	181883	250167	83013	70205
alpha-Asaron	20079	17512	19504	15729	17248	21544	15517	22406	30565	38976	19726	34301	16967	22281	35390	26556	196388	26406	24706	19807	22132	26372	20996	14022	29196	17289	25294	24620	16496	22140	20835	17899	23949	16793	17865	15964	29921	17276	21697	23310	16042	27439	15406	26941	16220	15463	17635	21914	26560	20931	27803	18697	34578	18194	21459	23557	27830	20836	16779	15480	10780	17279	12125	16328	14951	12460	12556	14098	16040	14240	15487	15053	11973	14881	12208	13072	13884	16873	12081	11775	33830	17844	10048	10116	13901	12325	9749	12694	10336	16245	1	14364	10942	11455	14488	12783	10102	14923	15020	15330	13690	12933	12353	14255	23884	11166	12318	17076	14311	14216	9967	12992	918674	13570	14139	13506	15302	11355	15917	23450	15427	15406	13672	12599	15584	16011	19200	10341	10782	13621	14697	11025	13382	12566	14258	11184	13749	19686	13709	11550	12544	14067	18923	18327	14421	12957	11538	14386	14888	31236	22836	15089	14545	13845	17351	29294	18059	10883	13928	25309	9923	20814	18089	12620	17126	32799	17149	18987	21788	18484	16661	27698	13351	18696	24643	20066	16611	17353	17471	19790	19045	17003	17297	17895	16445	14380	15067	18306	18591	26054	17976	19462	23320	15889	18740	14000	12699	19473	15160	19014	14688	18145	15132	17510	13661	16292	22119	22739	18804	14819
967.008@2.84	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	735573	264926	176036	1	1	96134	1	1	1	1	1	57141	1	1	1	600287	1	267054	124981	1	1	1	1	1	1	1	1199992	630169	1	1	279329	1	3782565	48382	1	1	1617624	1	1	1	1	10959	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.8921@0.8370005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	165687	163166	186302	189351	83011	84783	235798	235913	222217	233496	229037	228636	56705	57713	376426	373317	430732	422851	272997	116053	60816	68293	47030	53260	66730	74977	208950	231040	57491	53495	69110	69565	66812	73679	154205	150606	80795	81308	107554	100706	403921	402482	140543	138347	282515	278351	284779	281443	475344	466336	285932	285876	317358	317643	360958	300309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.9075@0.83947486	420690	429621	439216	450123	324391	320057	476341	470251	438684	432171	335086	328275	359844	355026	394699	393773	431152	429929	392198	398249	306727	296684	497286	499685	388530	400807	391221	392983	475943	492348	92232	90399	92349	94987	83734	82639	86042	83259	113527	117524	101858	100629	74209	74425	82176	84032	107078	108293	53475	57725	108913	96596	126671	126779	55889	56602	113770	123049	248604	234585	242867	250451	365025	374551	206433	217899	219645	219328	194702	204006	352381	339449	338023	335315	270443	258238	242116	153592	147284	155658	223737	244920	256512	285817	195930	188295	358256	366229	393852	423452	416777	437159	493678	503907	528043	529811	501253	491390	312430	306609	493017	491844	385383	371030	364681	369037	233570	231393	366297	354912	311650	318079	494608	396286	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 N2 O5	269583	275387	874437	887180	662526	641675	777153	773852	752143	741644	613573	647990	376179	381922	780921	787116	341747	329207	804119	811486	138424	135188	139776	144637	133222	133566	72457	75993	67779	68725	251169	261831	247885	249853	247520	261896	130048	137291	153023	151346	120687	114503	149639	146449	115152	120205	149153	154665	259704	258528	100663	108655	862734	838016	752467	753524	521792	544947	152995	167111	102370	111361	102153	95227	48427	48447	56059	58924	88146	86556	96720	87693	178074	165083	196634	188145	104495	102088	91813	86621	93614	98992	118039	116624	297047	302122	218742	200818	453369	463739	93737	92886	149912	180635	543539	550664	304347	311004	177132	179611	441309	436669	90007	102116	253402	235532	94754	92803	78792	79181	79215	81457	112839	106176	212564	221162	178292	173973	157014	161704	68678	67276	66805	65548	93943	96176	96019	101105	162071	161560	159567	156263	94589	96933	102361	97532	97045	91767	187119	194973	232854	229836	461599	460987	428246	435876	217782	211094	512997	494824	408652	426763	514008	503511	267549	263598	528680	511512	644503	652321	226858	235372	33785	36718	144245	135718	123766	120500	117527	112937	51276	47004	65164	65423	104224	105445	71820	71938	115166	123489	131860	135963	167797	178922	380895	372439	412714	423264	234343	234015	201924	189538	452123	451040	440100	440114	170754	170233	556378	549586	522956	532196	452134	450437	499297	484192	140431	138320	188705	182388
293.8986@0.8779818	260164	261818	238626	250830	304777	304393	215350	262327	263180	307486	256682	305981	227433	281683	219356	214937	284417	312031	267742	279641	283062	294253	222880	230486	317202	296025	294386	266943	233562	263109	324879	334672	382995	384688	392042	378300	392509	372274	253166	272660	374761	366900	270813	293837	169701	166206	227314	243201	327499	323498	180142	195071	273631	268706	452224	459581	378459	397647	293716	295752	202617	208091	182389	188752	275380	280539	300957	324950	230462	213244	165789	149910	276433	257697	373003	369089	320920	259461	159932	158212	64755	59886	141041	141371	204039	202451	91279	98791	95865	95985	119366	131637	111253	124213	136191	141180	156289	172978	309069	309294	169708	153604	251726	262257	263469	262199	368471	360822	215199	207850	281464	294709	298047	295986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
244.9734@0.8896284	224442	217573	214184	212332	168118	157855	219984	223328	191239	193214	158043	153276	186301	191477	206310	200480	196976	197711	178621	192533	142850	144108	243006	240100	166696	184432	197157	194948	233036	232456	78249	75633	80500	77844	70793	71644	63754	63222	88720	82673	101824	99057	73623	71878	111996	116156	100323	102187	57056	55979	63657	61766	117304	110778	21504	23235	129395	129011	319008	322750	279938	302486	357226	349747	238255	241890	235509	228837	198150	195780	454431	455676	315153	298514	251070	243860	247144	180786	248214	251472	371449	374495	370091	386972	195842	196346	435734	432903	429796	442623	446839	449746	275738	313356	510043	514551	490453	486205	312760	312439	457278	460846	408890	415451	359262	361737	182968	190204	394630	387729	352077	342876	484321	383857	169613	169512	134670	139676	166038	160523	163891	167791	103462	109226	179632	180429	175264	181694	210553	209332	164141	166408	225075	213351	200827	198189	168787	170791	186407	191934	176521	179185	189372	189283	134469	136691	149607	153003	91135	94447	158380	160149	132578	132321	209715	210122	111539	113068	203053	198179	214042	200487	121646	117601	66312	63248	61062	59975	86783	85083	41465	41204	148869	151839	66859	66230	102989	97927	65266	67541	79583	75763	46847	48052	117226	115197	202099	202538	67563	71463	121130	120374	158215	155895	67908	75253	153860	151075	66788	66140	116438	111505	64719	64877	124161	128697	125709	133869	157384	155744
Succinic anhydride	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76709	82799	66851	63572	188253	199939	35811	33023	84926	85594	83058	80978	172061	164051	54481	54627	63450	65942	28962	27061	59488	63285	274289	283664	235741	228653	97644	90671	176025	178591	506966	519953	233140	220320	101643	106439	215638	214901	202906	190183	108357	105304	278160	272778	243239	239930	155572	164944	124262	139617	70346	68158	253164	256502	162659	206134	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8658	1	26643	27209	1	1	1	1	1	11069	17627	18759	12682	15648	18096	17337	42587	41549	16139	17287	29886	31147	1	1	25626	28156	10396	1	14794	18036	63906	64067	15659	15426	16202	17159	9371	12426	1	1	15762	14436	23667	23941	14734	16509
C6 H4 N O2 S3	1	1	1	1	1	1	1	1	1	1	16244	1	8968	1	1	1	1	1	1	1	1	1	1	1	1	1	10153	1	1	1	1	1	1	1	1	60367	62658	1	1	1	76066	81814	1	1	220181	92976	60932	1	121205	115764	241570	155182	56920	1	105899	1	1	49874	118387	123921	112596	140462	1	1	132000	129809	110021	104830	100351	144591	1	1	202115	468004	141347	106325	93220	82134	1	49693	1	40358	38301	49984	1	1	11058	1	79926	1	1	1	731704	121764	31678	22326	90850	34696	60689	1	1	1	1	1	1	1	1	1	1	1	77271	173598	1	94545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
197.9469@0.83800024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	440660	430218	367165	375640	418241	410119	409015	420130	438127	421294	382993	365558	452518	445838	290864	297014	418489	395111	408627	401408	356278	352304	301611	266175	366577	365888	325093	338257	406256	417198	362112	379772	406426	395607	341256	320091	441579	428313	389967	391138	399501	383992	376694	383426	345856	383000	390730	387953	409576	401989	348599	348391	374443	360043	418034	405548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Adenosine	375329	390392	956464	1414657	95690	103740	162853	846555	715876	728348	31758	447457	63138	628811	51075	51783	189867	496612	89042	80766	13362	28385	112658	128392	121751	142129	48015	40738	87606	130064	19257	9330	100738	9597	53382	48287	59491	64700	41487	69048	88597	7941	57012	56193	80561	70599	51593	80437	21644	45143	25289	15128	90573	8714	1	1	12100	10735	18460	23493	78709	121157	170251	127482	34184	88273	87092	44740	151204	148378	501392	525305	19011	13707	91591	88396	16449	23519	103245	107086	402968	479540	188104	205442	113074	114028	199272	206045	96273	97040	252164	264443	1	146585	349467	349262	214996	215813	47896	49611	104621	115892	119133	124727	140473	145438	91911	89247	58069	56328	37137	37006	241720	182530	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
669.3856@12.1352625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38538	1	10050	1	1	1	20717	1	63098	11889	1	1	1	1	1	1	37838	20326	587572	190141	52586	13350	10544	1	1	1	1	1	28886	13760	1	1	64508	10249	53789	1	1	1	69562	41654	1	1	133846	15163	1	1	33329	14725	1	1	56159	1	23875	19553	30488	31129	40508	39943	25531	31439	1	1	25469	19464	36294	49814	40505	27912	12180	31062	50395	66039	19171	38578	15858	1	61575	46815	106390	82489	60690	52427	1	10557	42695	52199	1	1	31515	51482	17041	17736	82091	112256	1	1	74012	57664	60839	65931	1	1	20240	24768	18791	17789	27613	1	1	1	14502	1	90167	69882	1	1	1	1	20019	12699	1	1	1	1	13524	1	10608	1	1	1	1	1	1	1	17916	1	1	1	82609	1	1	1	21810	1	46263	73880	13955	1
C6 H4 N O7 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	162085	161379	170507	173639	314748	323196	135613	132436	148042	144530	119574	126977	340364	336838	223663	214527	150044	146487	143737	84273	100472	104347	205923	234374	207560	242242	111650	116990	389350	397888	392129	403206	403985	417062	395803	411798	494843	504810	427347	428295	184188	193568	397259	405877	260737	255918	254046	250212	126442	123084	242253	253307	211468	211288	340435	271930	59194	57315	56410	54226	82610	82577	63777	58103	37487	40067	61944	60661	62482	63563	68154	70223	57793	61465	70431	64954	66881	66407	61744	63729	63487	64143	71845	69911	58728	64230	51973	51414	57603	63681	49041	49015	64723	62155	57755	51046	103586	108236	40901	42242	127937	131920	73271	67626	46502	46934	93305	93385	78087	75091	95362	96193	44627	43270	147511	147776	89210	83945	78427	78900	87483	86864	105935	109157	66797	62507	165904	158245	215383	228491	94837	90783	183017	175383	177826	185494	78711	71562	170420	172404	80763	83378	152585	154394	45743	48160	150286	140800	200627	202292	153927	149466
C32 H48 N3 O12	22475	23758	91424	98685	75969	82290	79026	80206	78889	68408	61521	63884	28498	28162	69376	66250	20756	28283	71519	76216	13029	13863	11732	13368	18500	16258	9103	9605	6790	7238	25703	29064	30609	29059	36604	38453	16092	15530	16518	16956	13220	14126	18433	18853	11242	13419	15600	16172	34168	37218	19732	20418	141397	142051	159521	151967	83667	76397	11307	13290	7125	9189	7370	7133	1	1	1	1	1	1	1	1	35744	27552	35660	36619	14593	15461	12917	12549	9529	9573	13035	13539	43099	45428	22927	22272	66861	67825	13624	13849	75383	35437	94100	91926	57948	57027	36624	35247	88666	78555	19936	23806	50431	49769	19328	20901	13071	11861	15989	16456	502353	20884	10439	11833	9161	9755	8686	9170	1	1	1	1	1	1	1	9585	11056	12141	11887	13148	6909	1	6605	1	6943	1	14859	12975	15735	17600	32278	32778	32374	34229	16335	17362	45497	41675	31745	31657	37121	35304	17049	19285	44730	44894	46160	48462	16411	16470	1	1	27455	27775	23499	23722	19243	22607	9229	9406	1	8782	18828	17381	11759	11987	27334	25241	26438	25159	32938	33109	70285	65824	72108	70702	43977	42360	31670	31974	80293	76047	78830	86143	27535	28403	107130	111246	79839	81680	77671	82103	95757	94564	24556	26126	24368	25843
287.9192@0.8703725	654170	667619	654562	705915	711815	706751	699360	692675	764646	776535	737476	735132	623852	641224	582945	601376	719999	691221	692582	680162	687920	675077	653775	646084	753319	766067	698227	701301	692844	676455	828449	841304	827235	831105	946124	907822	886015	870620	721084	727540	909350	895332	819913	853542	481094	490535	660665	655838	857922	867644	767929	795540	676568	686334	1007030	1003054	802769	804089	621870	642117	555694	565964	611944	630999	643375	645491	682226	665752	537478	556312	516554	505934	704878	690446	690614	665112	610830	423184	309847	326604	337711	341504	394430	458091	420730	418046	484492	493601	544517	589794	588680	593639	696049	701928	701167	709526	691920	671098	631857	608177	696716	695727	646728	626386	622451	644132	591986	595881	550772	551919	601007	607059	792481	686855	636210	623915	706794	681965	662673	667791	649779	652144	889084	873393	708668	681959	620793	628310	486811	474769	649652	637906	452330	447782	478242	493142	640537	632318	530172	528180	676793	674078	585374	596329	721724	723737	682239	662796	817168	833554	684166	678523	719212	715076	422590	417416	760647	777146	530806	508625	508852	493138	563618	556764	450924	437773	850020	838294	842335	845444	1214686	1200321	657351	663019	1123396	1115418	651322	663295	834364	791635	794035	771474	885627	878195	568297	568117	439916	435553	919777	926543	521794	497642	625804	629818	725496	733928	603228	610778	787164	791958	640473	628007	495373	520935	649460	640745	456900	442467	529451	531999
450.3196@14.029973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17899	18196	14535	17131	22113	19126	20181	19040	21630	18835	20988	16542	18051	14805	26922	21618	36072	20553	29361	24493	57732	69705	149871	267389	98336	56232	70642	15973	34797	24014	19106	38987	42716	28131	52470	53207	57617	55510	107761	44250	84842	58301	107164	85951	42922	46546	88890	53956	51229	42369	83106	59556	39943	43648	465548	73837	60913	70563	56457	50641	151723	57858	47262	86454	56134	61038	47170	61072	109370	61338	175904	69057	86363	121204	110783	63236	89620	75176	113059	56233	43221	122064	81985	105186	104100	57930	40200	46033	77503	122122	48247	41026	41663	42157	46096	46331	102675	118570	96159	35605	49030	55621	51690	90690	60963	41362	123102	206450	263473	209352	214081	89589	90307	72921	76084	67036	294395	170028	90067	75758	73459	70698	132220	148837	153360	119730	129079	70565	172094	60290	151485	168910	70067	62909	106310	76301	71456	72381	89766	93958	97973	70932	295618	101297	108785	90946	79072	69936	144045	121512	87264	67619
C14 H25 N12 O	38912	39944	40395	41575	40816	38847	34727	38065	39908	37831	36363	35335	38788	34515	33212	37108	33261	38928	32609	36982	36186	37357	41876	41981	44691	43852	43730	43518	40610	43617	46422	41887	40887	40653	85616	88510	50927	50505	45837	43887	39652	43873	41197	42478	43064	46058	42896	44119	47147	42266	48640	44224	46365	40949	44920	43205	43844	42636	59432	62493	60726	59992	57954	58629	62054	59684	60145	58623	56958	54380	61725	56135	117105	118315	118289	122096	106832	110171	110005	113917	110046	108498	111160	112374	110357	110097	112545	110886	109861	110803	109784	106528	80144	124395	117797	119309	117414	122785	119727	117488	122071	115045	117822	116515	109073	113803	112457	113159	117330	119736	112806	115054	2730354	119401	42428	41166	42817	45352	43761	45771	43868	44911	39831	42846	39098	45155	41228	44635	42960	43386	43356	43111	46897	40502	42492	43716	44103	43013	45233	42428	45782	41581	44246	44718	39143	44898	40041	41514	44798	43269	39884	47940	42440	44457	31912	38081	45267	46889	44673	43249	43613	45056	42943	44787	165149	164559	159199	166901	166662	169055	163782	170506	173019	172901	165886	160312	166645	163563	110996	99376	91160	96644	102611	106293	104013	96049	103911	103456	98438	100247	100854	105622	99535	100985	105528	94033	101973	107282	108472	106478	95530	97531	102298	101992	107162	103368	101512	99632	106494	107168
Larixinic Acid	143914	50665	94752	74669	38966	42829	71267	66094	52741	91942	51394	45106	77963	63857	34435	110877	939253	81105	40005	81670	34095	43555	28381	52849	93612	98399	68717	79971	65754	36527	63368	51475	66884	54818	81816	91195	46383	54924	112986	84558	69710	67630	52166	66301	45412	46469	122902	138749	23520	47987	126822	112543	183022	188371	61767	59965	110078	106214	44876	40701	52870	69267	37012	50898	35812	29111	33789	29374	30644	58035	28546	37962	47143	50037	40061	31872	43301	36802	48067	57305	92084	43441	47448	60551	37809	36667	1	1	1	1	1	1	1	58374	1	1	49021	38016	53253	59364	23920	40802	60333	50458	73807	56917	30645	31289	71799	62555	50800	31489	80218	94611	56698	52398	32611	32393	59180	53184	29778	29046	31986	38100	52066	48118	34429	34682	21208	30321	29801	35610	41337	54869	65707	54618	71066	68209	38009	37443	35786	33804	41252	38429	55292	47878	29544	23027	35509	35471	28484	25585	52762	47196	43625	37181	27699	28048	48189	46861	29464	35738	42616	31582	20336	26384	27474	22723	36994	62769	33579	35269	48603	64133	16359	46431	88668	89056	29881	34322	18836	28623	27939	17801	66951	64157	106358	116764	51254	45236	36539	37782	37678	35749	34337	34974	48328	48742	21011	26258	54704	62714	28111	27811	49103	51889	40680	60280	51488	55406
378.0799@1.2989999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	100014	292209	431618	424594	287903	223079	278722	239696	144815	120962	92995	76409	76660	72813	34999	31758	1	1	12172	9077	9246	8156	1	1	11116	10684	1	1	1	1	7691	6218	1	6947	1	1	12863	9819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Valine	19189	24369	21969	30402	15328	16510	21975	19029	21253	24018	12011	12017	12288	11522	18089	15612	18568	15536	14452	11557	12726	13723	23799	31717	34073	53678	31719	31525	46025	47940	62908	52884	72410	65583	46963	40171	30595	22146	56018	54546	36171	41252	37151	36904	68250	67438	89175	109314	29711	44064	15802	14640	88105	80490	16426	17619	90496	96637	20939	16103	16515	15386	48118	47771	12761	14710	13317	12158	10944	16217	44339	43804	38495	27774	54248	50577	33322	34382	92665	144775	136251	106522	72886	96059	33408	36118	119832	138913	101520	132724	131399	115638	60852	67742	259605	262388	177231	171923	124130	127034	243922	224874	94739	104698	160750	160145	56468	56140	101283	110474	104743	101245	182451	202580	27860	29688	49132	47917	37340	41576	158998	149991	31945	27188	43729	43387	73773	72110	39669	38053	46250	44854	52118	50288	48608	46433	48443	48907	119901	111883	51784	49489	123290	121209	30045	28957	46918	45139	43960	42611	36260	37725	45499	44383	42693	45309	30402	33299	57002	53070	42495	41121	59686	56468	65964	62716	87297	83780	57040	60738	57755	56543	236931	239484	104394	106647	101405	104125	60667	59718	144375	145220	46106	41530	173644	180736	344064	347011	116739	114723	195105	197735	313185	329442	58243	56055	259774	264161	74859	72888	137267	135377	66785	65692	163972	173998	212876	214603	220760	224869
D-Tryptophan	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50976	50692	44400	44332	147268	145611	32553	35121	31515	28469	32237	29173	170726	170036	33679	28625	45857	43378	37408	36148	79276	82648	134521	131458	111432	110552	27082	30404	257049	257721	182441	174507	152714	150935	37993	45080	213436	213239	181991	180966	64921	64878	206740	197610	60979	67033	86112	86437	37635	34361	66232	66672	90918	88159	131781	115419	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Maleic acid	53570	57296	77521	70147	36555	37071	19543	22466	58348	53350	29763	31369	31383	31777	27537	29909	36708	38035	32657	32247	40515	42703	29716	31332	18197	18689	46840	48566	28352	30366	1	1	1	1	15436	18627	1	1	15158	15953	1	1	1	1	1	1	11856	9830	1	1	1	1	19744	15956	1	1	10434	9598	51771	58996	48632	43979	157325	154257	22047	23453	54389	58490	54843	53821	136748	138604	45373	45139	47091	45345	21830	22326	48719	46338	250018	256203	199142	197301	72003	63773	168886	180149	503555	510902	192022	184319	72773	91029	191150	190908	187927	193909	99269	95662	259180	260642	218672	207464	143386	147415	115925	115619	60813	61830	233077	224974	137430	173970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7409	1	34257	31821	1	1	1	1	12340	9079	24043	21811	16946	19449	17605	19753	47435	47988	19090	21240	34228	34760	1	10607	28005	28492	8921	9341	22536	18387	66790	68453	20281	19530	16245	17408	13576	14994	1	1	14352	16503	24358	22079	19813	20178
669.3866@12.060992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35139	1	9279	1	1	1	18793	1	57393	11940	1	1	1	1	1	1	49203	46473	695533	175122	54262	16683	18406	1	1	1	1	1	23733	8744	1	1	60550	1	52818	1	20641	1	69685	32768	1	1	153282	20009	1	1	48988	16280	1	1	32908	1	27091	20712	21258	37074	30235	46688	17877	34434	1	1	56179	15602	18970	54034	73383	59939	34054	33244	44297	108436	21003	23919	10147	12244	46087	43960	80711	50836	72967	42247	10333	11337	49724	59022	1	1	39815	44746	21974	18642	124275	107133	1	1	48946	71567	82267	72275	1	17122	14511	21621	16788	13612	29320	25377	1	1	15595	1	72262	118111	18182	1	1	1	17203	9257	1	1	10055	1	38456	1	9645	1	9779	1	1	1	8744	10501	17352	1	1	1	154667	1	1	1	17436	1	42027	81377	12559	1
979.9848@9.582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35331	53013	1	1	1	160100	549371	22349	1	1	1	1	1	1	1	209057	19619	24085	165452	29266	1	221586	1	1	1	1	64125	32925	1	1	1	1	148509	33764	1	1	112910	19530	362871	107179	1	1	350565	1	1	1	1	46856	1	1	1	1	8273	172920	1	18886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H3 Cl N4 O2 S3	410537	391984	407210	417576	341203	320746	412567	425656	412395	392767	354907	346123	359293	365572	362105	369737	390492	395161	385592	377055	321459	318503	451052	464355	376684	390612	379469	385752	452434	463608	122502	126714	124348	126682	114859	110559	119745	111853	153609	151154	132915	135558	113692	110586	124562	121941	143832	144739	90335	88695	127272	118002	172141	160388	80306	78665	154958	155297	231225	233838	241148	242697	315342	305460	210597	203672	216205	221397	190260	188022	255291	250802	328745	310910	241886	254506	214653	123513	117952	138909	172481	194488	208533	239160	171807	177375	244678	247874	304718	319889	322350	325840	437603	443421	406419	402668	402527	397746	293945	298120	425270	411211	343887	342790	330604	335168	216204	216374	326043	336740	293079	295370	465684	355824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
233.9323@0.8773606	391756	397545	352569	346345	544874	543671	355069	347109	467621	450011	555435	552372	421817	431752	324398	329170	397245	414235	410699	410107	519976	536593	260588	257854	503893	510327	458343	460635	304828	314921	840225	851705	881575	859413	965214	932929	936442	939662	724564	753624	932973	900115	829360	848473	572131	566318	686086	681808	878769	876352	616213	637214	708238	698253	1038141	1049166	829565	854604	475039	462175	366444	365526	211918	209373	524983	528021	528674	536698	430656	417196	115548	113423	406073	396496	514508	494850	478402	392958	216569	228877	49964	53973	127356	131260	316933	327172	73226	77008	87814	84400	95549	101113	167927	183001	110022	109038	138640	134805	408338	399665	160357	155896	294898	300906	305741	288797	469075	456209	245558	255268	370977	356540	327235	336206	443546	423501	491249	486274	461453	468050	464319	451997	596512	577440	484447	478773	426794	436629	336846	331294	477914	455778	331380	326818	358251	359327	463408	445772	379043	376236	483853	488277	405843	414179	508582	492444	467318	469083	556598	577073	490226	478849	497837	498080	282811	290000	497605	514807	384439	389738	360944	356536	386336	386244	301681	281907	495142	500993	482316	494633	743236	709058	419180	426980	662579	657872	416248	426198	503206	492054	485097	471061	524603	524046	365273	379017	309776	297568	566172	568409	335312	322740	423751	427857	442712	454679	397774	398022	481765	492337	417805	408087	330375	338292	417576	410394	297966	293695	347509	334752
677.3293@0.98199946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80544	76111	94156	97696	246245	241539	56738	56639	66062	68104	46265	47765	418827	423226	24969	22818	32708	36136	52588	51522	107101	107644	293226	283200	238375	248046	50157	51813	383606	382385	318134	324208	330984	326001	39864	47161	332188	332030	280170	289595	41487	37079	203910	210592	102175	105084	102407	106372	18649	18763	81579	79677	73513	70833	120366	118578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H55 N8 O8	8262	8879	10529	9163	12223	8955	7760	9554	10037	9699	8247	9574	1	1	8148	7013	1	8367	1	7273	9128	7318	9465	9913	11253	11102	12409	11481	9614	11449	10354	9648	10806	10204	13145	13636	11668	10726	10466	11772	10396	10190	10974	10536	9315	9752	9972	10157	11440	13697	15586	14180	14885	11846	12852	14312	11816	11277	8359	9616	8024	7827	9029	9336	10046	9210	10388	9428	10262	8536	7484	8082	16815	15643	16690	17438	14690	16412	15711	15340	14243	16006	16583	15175	16763	15372	14010	14219	15057	15948	15259	16649	10671	14637	14164	13502	18608	17734	18449	19507	20345	15738	18145	16731	18343	17492	18732	20915	17013	17895	18442	17888	481523	24056	8135	8713	7397	8191	1	7906	7969	8949	9581	9490	8816	7785	8145	8708	9268	9234	8944	1	7589	8118	6736	7773	7754	8323	7729	1	1	7486	6993	7523	7751	8324	1	6947	7665	7871	8206	7569	8189	7841	7028	7093	7916	8651	7679	1	7583	7256	1	1	42193	45498	42170	40023	40524	40452	35370	40892	19828	22315	37989	37906	45491	41852	38544	32433	32326	30337	31687	29867	27761	26164	25290	24289	28210	28336	25553	26727	27060	24490	28064	26315	24785	26231	29505	27352	20167	19209	22662	24495	28507	26647	26915	26692	16284	19188
956.9776@1.5108852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54167	1	19887	1	43353	1	1	1	1	1	1	1	1	1	1	1	1	36486	1	1	1	56799	84180	23883	1	1	59790	1	32736	1	59201	1	19666	458355	54153	1	1	43479	1	30777	28021	1	20554	31703	36024	26916	1054047	1	24981	134278	1	1	51741	66208	37929	87460	38778	35075	28934	53585	42155	42101	59718	25547	44902	73670	60931	1	62862	1	66401	29300	91547	1	1	1	1	1	49896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25964	1	1	1	1	1	1	31155	1	1	1	1	8828	1	12599	15526	1	25228	1	1	1	6953	13804	32800	1	1	1	1	1	1	1	1	1	10293	58806	1	1	1	1	1	1	1	1	6631	1	20136	28739	12187	16739	1	22996	14078
C3 H4 N2 O3 S3	403266	398670	349334	345437	558791	545006	322467	338256	436568	441061	568077	575773	458247	452786	359041	345456	388278	402453	419123	434565	576522	596345	259645	259890	510600	501091	469518	476305	307448	315498	995542	1017029	924049	939597	1099160	1100034	1059162	1056935	871159	899932	1016335	1004100	1041529	1075268	692224	682267	780037	784338	1189754	1124833	1315360	1355567	938417	932652	1388067	1312251	917997	910368	344082	335545	266866	273023	128408	117192	424523	427742	418762	411362	369997	370295	51099	54532	392874	387826	454487	431935	379799	291602	147207	147612	13613	17418	72868	66756	291441	295665	24866	25647	32049	36693	43650	47815	132083	150096	39379	40485	65476	63574	321235	309285	77782	74163	217203	207233	195475	190354	441160	432312	171283	167157	262463	257450	204109	213736	651211	628844	717199	723835	561336	578027	605349	610744	886837	866472	672204	651662	629008	622702	514234	508156	627037	643707	500858	495758	518685	519020	607527	605963	538328	540419	615116	621636	593283	598555	709985	688423	688575	686582	798174	784727	649598	615127	714644	733607	403342	419111	751673	756178	404807	415649	495373	462328	620408	621955	439139	424402	869830	877366	878495	873509	1293443	1271175	589426	603650	1018425	1028242	748703	769520	985443	985192	886921	864382	1102415	1069561	656077	662839	425613	433332	1020689	1043866	559288	550108	578934	565636	939993	943697	603552	602442	976482	955903	720185	713088	742299	747636	718164	716491	510287	514951	563358	574068
a,b-dihydroxy-isobutyric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	875111	676572	882189	294141	1386579	598416	3557550	1	624412	3943083	821029	1077432	441272	421759	1584888	1182652	1160822	1367583	1127965	93714	344346	866833	328501	522287	196428	264256	649653	316042	410469	416184	961338	658844	247065	284651	1	282094	140780	226220	1067415	104767	280953	51918	256412	217015	76003	266237	217780	1	1	273497	180639	255497	517373	916341	2041299	524908	89725	128540	119690	4151	271418	276682	212996	39372	5415	173661	101039	29372	273182	3629	83551	47678	296927	108658	2328012	93211	232765	370818	130251	9738	199141	45535	210713	161986	236591	101270	61482	218580	676121	198335	469128	160545	185397	197333	212403	666006	332135	400772	208140	259045	262667	234353	231919	3159	163921	296755	421134	443395	295244	324996	32008	721945	46877	51535	244343	117512	542858	1024753	421460	327786	542312	16494	614658	37539	507475	301754	199446	203683	592922	323570	440452	18775	184979	222272	195548	319930	362930	435260	682866	214213	595163	360133	171556	54165	447401	502326	187159	216056	216624	222258	209712	124820
C12 H9 N3 O14	39222	34702	38297	40834	18383	19459	40883	38472	36014	36808	19072	18699	28975	28548	28193	27614	31669	34924	27161	29874	13579	14305	51919	55617	29206	27114	25008	25719	41120	45746	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14496	16492	149498	150852	159912	158873	396227	392591	104846	105413	98850	98372	43434	43569	369374	371894	86957	89199	60793	63282	107440	77392	132654	135360	313061	332233	269529	289668	37787	43376	362349	355538	359570	367222	317868	327254	153308	153739	423818	413621	360107	361430	103108	107257	327400	326613	193527	188359	160110	166779	26403	26499	153674	158312	147870	140725	175056	192957	13956	13927	11537	8627	22009	24291	15864	15422	1	1	15352	15582	15053	16084	19569	15625	13409	11453	19026	20153	14507	17995	13796	17281	13822	13363	16876	16881	12744	14319	9989	9536	10321	10436	1	1	14253	14580	6733	9726	30005	33458	1	1	47702	46236	18914	19216	1	1	1	1	1	1	1	1	1	1	12965	14073	1	1	1	1	1	1	1	1	1	1	13392	13520	30394	33384	1	1	11587	10655	19223	19178	1	1	17214	18071	1	1	10481	12923	1	1	10572	10846	17006	19898	13904	12380
698.3658@12.026019	134520	91644	17584	14689	15175	11880	1	1	24914	14199	40848	47097	149712	71606	163563	83636	306636	71228	113385	47680	75083	52534	1	1	8965	1	1	1	1	1	18312	14831	20913	14989	1	1	19154	29719	97963	85153	23351	22438	25708	29398	60125	60158	208185	75027	14190	9079	1	1	213405	52810	10438	1	91373	96743	10429	1	13797	12797	34304	1	27329	19556	1	1	29961	1	30587	1	17625	1	1	1	1	1	139625	101537	530602	150593	61128	17339	24761	1	1	1	1	1	20256	1	1	1	78389	1	60149	1	38372	9184	81638	38134	1	1	365878	44204	1	1	100599	37715	1	1	92301	13200	17878	35439	29235	39879	57756	56954	34074	32373	1	1	48295	55765	50651	54803	58794	60002	28209	27882	56734	70529	18795	14628	19113	1	54261	43064	82657	87574	64294	57409	1	1	52310	53167	1	1	35165	40052	34681	24790	203764	164245	14248	1	95903	99144	77802	78525	10723	1	85871	102940	92885	62494	204830	117298	69540	34846	67614	15893	366607	295064	49897	17650	23175	19860	61708	37934	25871	22306	52396	13463	60189	20188	42967	33682	35619	26052	19765	11120	41240	43061	66501	10692	26953	27173	365212	25517	26561	18303	70174	28607	133859	221756	50479	22552
269.8084@0.8722941	269722	264882	269571	279127	384249	384900	247784	246796	275308	289085	355653	353127	330160	335046	294377	307023	268824	266927	300856	303940	383305	377812	217462	210644	329761	340653	337490	331984	243052	247567	666702	647073	637489	647139	684632	670704	691572	681497	642689	659119	622695	624272	694378	705006	649507	656277	647149	665854	715478	724428	426130	431995	623157	625198	785694	797183	595697	616736	210743	227537	263777	273855	90428	92731	350631	354199	351392	356153	400380	410877	44023	44901	233743	225275	408573	396457	323680	294817	220054	226861	72516	67810	95832	98229	361948	370733	27906	25006	40459	45165	49254	49894	142977	129159	51639	54713	86192	82387	364815	363416	119596	122294	246391	242126	263781	260098	511979	509496	268211	277376	314151	307754	256662	280923	545057	527009	604195	610103	354712	354406	538514	555613	660012	663124	542231	537495	548886	549269	547089	529476	559203	555028	531878	541331	566958	576850	597161	577253	559576	559864	546806	555201	575824	589064	631518	638186	598747	582830	708046	712632	605434	598721	653111	666685	345951	330926	717701	708416	318653	309139	555102	575121	694365	704709	332546	338981	387041	383953	317224	324515	631009	632219	279009	269519	388867	404125	598034	597876	429174	425207	373751	379027	447751	442204	328432	320095	241165	235840	403512	412278	313723	303057	299541	289191	421010	417822	269453	263176	412869	420876	336416	328016	779734	797577	347228	341375	290268	288597	316227	313682
Dehydrojuvabione	26601	47503	1	1	1	1	1	1	1	1	1	21165	62576	21448	59094	48127	66172	1	1	1	20755	18173	1	1	1	1	1	1	1	1	48712	50950	50690	53884	48605	46569	53257	53353	51318	33049	69949	69643	50263	36820	53165	53947	64264	57536	1	1	26033	27040	84459	66163	1	1	74488	71022	26815	26183	42430	35773	22837	17304	36923	35945	14389	13766	22888	23423	27484	23451	40570	41433	34866	34949	35396	33854	70914	76413	130642	60831	47352	43591	36189	36261	17138	17434	23314	19509	19297	21654	32171	41664	28669	10289	47628	42865	65040	68618	41394	40591	50447	48424	69157	54100	22817	22622	70548	64489	37946	40764	467879	51540	47908	51841	56486	55528	85168	92190	41453	45784	34751	38945	40954	39269	45556	44078	44157	42405	42197	43717	45336	47446	50409	48125	51424	49372	30899	32305	31896	32047	12085	31044	43894	42643	38867	40236	31138	28129	51520	54261	38276	36916	125300	118823	33640	33510	83705	75500	36101	36903	49562	45242	32004	41821	38852	42103	56401	58825	48435	48731	51589	45505	81653	71819	107707	96249	32730	31101	35946	35710	44111	39594	24691	50450	65105	63332	54810	60119	27254	46788	43987	36620	22316	23114	25011	24282	44199	39783	88789	23493	51651	20922	51609	43119	46373	40999	25745	23692
(R)-Malate nullnullnull 1.0865304	3401978	3500797	3872293	3989815	1400683	1368575	4216531	4178191	3799350	3964410	1587621	1609722	2248082	2266424	2306469	2212606	5940541	5702311	2972779	2829189	1431950	1426666	5498854	5562385	2111386	2191925	2618981	2613227	7074308	7208140	264692	260012	252700	248589	125344	115703	157106	157280	204151	202059	225179	240082	91791	89019	151255	154814	230762	242791	55100	53127	57542	53614	366141	368210	40377	187567	260969	286813	429076	426863	467443	459203	986813	968633	349261	339571	325889	320949	381006	404421	2449189	2461462	342430	329750	339141	331650	358435	357565	409857	402666	787055	726562	788897	773632	293461	301503	2635261	2621211	906258	898018	992010	1066816	288707	375925	1130628	1142933	891826	824871	422677	440839	818170	849472	522573	511077	751175	729547	276962	280241	703276	695939	371280	352324	473389	690013	134978	137326	78577	74752	34224	155739	55833	47702	141054	143007	38040	41229	68117	71180	40242	39819	147035	146548	27023	137880	32986	33103	167437	41945	31837	149702	65813	67449	36575	39940	150991	157273	72002	69165	72413	72598	52146	175779	66913	68944	30197	32210	35756	38981	79257	75924	24164	26708	60183	59012	166371	167339	224630	230450	225468	227720	162109	158514	375939	387646	301498	299665	334758	340807	182342	168346	341240	329964	122935	125559	522651	519234	516598	531878	251753	253915	523865	519767	446936	436632	166536	171742	422892	418188	152010	159415	451937	430598	188689	190912	376757	385046	791056	780520	419468	422609
60.0165@0.93000025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	367996	792900	739438	724561	404674	414381	804964	789552	822230	804025	793934	815902	403226	427232	834943	762057	889812	895624	808246	559390	426574	404762	292380	284783	359181	374085	755235	745812	300147	309717	319082	315053	358583	374416	364153	340772	445406	437271	792766	481469	894285	873016	404863	411850	859337	910564	904583	889579	960751	976807	833495	840314	889025	853918	988092	943363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
402.9534@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24884	22402	20763	14192	31603	29438	13296	11739	13844	12878	21411	24959	65521	60197	26116	21165	28178	26986	20350	1	8761	12087	39673	42049	33418	39036	23772	22174	61713	54568	47754	43993	55009	47074	16865	20204	48733	53222	44567	51735	19971	20868	36888	38034	27242	28035	27948	28381	27216	28499	23714	34172	30883	30257	34231	29082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.3183@12.406918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20448	1	1	1	51986	9149	11317	1	1	1	14341	1	25135	1	1	1	1	1	1	1	59198	42348	368493	97793	32849	10181	10448	1	1	1	1	1	23016	10671	1	1	44555	1	33841	1	17199	1	86836	43515	1	1	118572	14615	1	1	49953	19044	1	12563	60858	1	23235	44819	39223	12299	28589	30940	12648	28117	1	1	20772	20286	13958	17105	25568	25547	23179	13404	33907	36052	34374	30730	34013	16270	20780	21692	39700	36845	24368	27973	12337	9857	18264	19505	1	1	14477	15613	16880	20451	115575	93739	15087	1	34020	34942	31382	38920	11921	12374	50014	64736	57897	118593	74300	47333	28333	24708	30173	19838	293601	202194	23102	12521	16540	9838	75953	76180	21760	16869	35991	12846	35546	26753	23667	19396	34084	21190	18427	1	35385	17870	32774	1	17199	44291	290756	48541	16265	1	45068	16781	146479	262653	26295	18141
Pantothenic Acid	170710	161738	253248	251025	148293	147095	192715	194762	305589	299019	153770	146845	204380	199863	158813	168575	239332	238610	155674	152142	118805	127041	261214	276085	159656	163242	202632	209825	236295	241813	70918	67357	62061	66576	50289	54048	78182	77936	83423	79892	81980	77431	40139	37168	54637	53469	64017	69104	28452	29522	18584	22209	92566	92522	15524	17144	97882	91708	104776	101563	144562	144723	281102	276318	82340	80623	88519	92743	37861	39321	374284	379891	55884	48600	67379	68505	75775	77924	106544	108049	254093	264914	261090	264288	58474	59081	434733	425989	309118	329186	337233	335752	68273	79182	318059	320215	318889	321563	83664	84817	225141	217853	130803	135328	137886	138994	36992	36998	144709	151812	104347	110974	162413	145126	130959	133342	152209	148470	202280	206835	195611	196136	77724	85269	198368	190038	166932	164857	200686	201672	146826	145032	218520	227545	152130	154879	163101	165100	176716	174766	184138	183435	170431	178104	132186	127890	154483	156681	91491	90710	172994	173398	108446	106526	228966	236743	82632	88374	323574	321550	259169	258280	108252	108015	21474	23672	31139	31462	34941	31796	24290	24958	64955	64516	35121	32980	85428	94894	30220	27234	38901	38548	27142	25908	147661	142775	94527	86743	35678	35424	174324	162672	84682	89385	29128	25936	71389	72784	16817	20180	181859	176721	35308	35195	131537	121865	235354	240146	108899	110724
255.9333@0.84354454	405715	371515	388114	381184	386875	372324	366320	341733	359967	370190	370462	372459	399249	384452	351535	353401	381198	365203	353449	371677	352051	355052	344079	343869	346618	342037	375733	376935	343472	362428	366203	366531	358887	329942	336477	327873	351003	357463	314143	322668	339036	353504	337586	351578	387853	372006	353723	370175	410681	399354	202111	205819	368341	342557	376327	386450	344386	344034	478613	480177	414239	418421	370911	400937	435524	425490	419488	418089	421672	401409	402552	415073	264542	263529	344214	351456	367399	421803	436234	446965	382201	361758	418748	416768	392414	371133	295167	294316	303230	301816	319563	314728	214801	203275	321677	329958	330565	333481	349584	341686	332509	333964	358514	359996	358835	357393	338642	336443	357820	355790	360143	362780	302943	364146	454222	450279	441103	438703	336826	328851	448306	430765	430230	442374	441639	437150	428477	429264	453367	457579	454406	454357	461991	461590	470244	473215	460217	464720	453114	449911	440788	460115	486657	467568	457438	463699	446089	446610	465826	456045	451955	416070	455233	455006	344618	339871	457519	454517	334567	340193	449510	453901	436589	465254	233846	252609	264150	260399	253054	252489	293241	295214	288905	286635	244529	247010	341369	313416	297156	291704	238035	237035	280481	278294	238541	221199	313248	300731	267884	267602	237518	229228	302398	310156	297096	292833	263562	256169	289696	290389	248760	226516	315005	335035	265924	270582	213215	220372	280953	275978
> limit nullnullnull 1.2910002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21504	143838	43400	36411	26197	47273	60047	48872	48148	60487	54429	52369	63894	1	13599	16530	22119	24031	25758	24463	42424	12764	18648	372950	28614	23033	23670	23778	22930	30109	79845	20674	33600	34532	154934	1	14822	29211	27902	10997	19020	10338	13311	11686	14287	8779	11567	27941	14736	11573	68941	1	15603	24098	16599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H11 Cl O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	411282	396886	312259	307157	380144	369994	369411	389194	420114	400496	301817	303996	367925	365078	243429	235426	456027	447250	460823	457506	291826	300692	123558	117361	290116	315442	290206	298840	275248	271351	263951	271607	342573	342786	137187	164870	313217	316873	365659	367729	333559	330871	311716	298608	297440	305792	341269	340090	394559	401642	219366	209125	338703	341181	491149	462149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Iodophenol	1	1	1	1	1	1	14284	1	1	1	1	13849	7582	1	1	1	1	8974	1	1	12678	1	1	1	1	1	11099	1	1	1	35766	37168	44074	74517	46612	46008	47899	52699	1	1	60046	65880	124081	99322	169068	80240	42396	78479	102148	90813	216325	115339	74969	67113	85591	79547	65778	45872	91756	94962	89961	107936	45815	56546	109729	121176	100468	78972	107051	77262	26441	1	187056	425752	105130	1	65661	63336	1	1	34541	34915	33156	40101	62584	54714	7089	1	53806	26757	1	19190	560573	80084	24931	19096	72645	30058	48294	57966	31526	25989	57720	58708	45115	44273	70848	55165	49685	57606	61720	141208	1	64347	111486	77923	27858	29274	61372	31250	33497	26131	58023	38525	26896	22435	62169	48269	39944	37152	41874	90770	24925	32274	94876	71363	48510	113890	31754	30198	24414	29293	32283	37161	91451	76080	88331	47249	33041	34415	38296	31681	85017	46694	72936	70998	78731	77880	38265	39702	35065	33337	38534	104670	44419	82299	50364	96485	98155	1	177351	166914	1	104216	33372	111992	99543	109742	120539	62888	1	52965	152591	48214	1	38064	79092	60515	1	128838	52111	103782	55393	42800	143169	233408	59533	60676	1	177963	48748	36375	186881	194549	122613	131488	39334	49576	52913	63288
199.057@0.9834102	1102446	1106633	1135427	1130430	983146	941846	1122634	1130781	1113750	1112370	938259	968006	998309	1001095	981213	999486	1109632	1092821	1061391	996046	840337	845191	1098974	1139200	1016773	1083391	1065368	1055182	1122822	1134874	44849	38081	54741	52256	56327	58228	43603	42129	30007	32065	51534	55119	48518	50016	68410	69448	40709	42372	32512	32507	22450	21450	52428	52610	20382	21908	59011	59608	1313008	1329462	1356403	1356091	1492000	1486263	1321900	1236168	1393029	1407308	1317898	1326711	1603727	1612181	1165466	1136821	1160547	1137740	1201404	1213245	1289727	1314275	1449412	1369821	1366802	1348672	1071886	1096736	1225162	1214768	1236301	1250166	1338291	1329270	1211151	1258804	1528062	1527559	1511997	1509171	1192705	1196979	1442698	1427336	1396214	1418100	1389117	1407910	1114688	1111765	1337526	1329683	1337150	1303968	1664657	1612194	435694	436325	400381	403688	462293	457750	530753	542300	248812	265402	555389	561516	491340	477632	591552	574337	448541	461395	599606	617034	527167	537687	485873	486894	531798	523558	601701	576570	535222	546229	398446	400120	436449	437749	299605	303938	540148	535966	339725	336357	523172	523740	291556	292883	625927	630722	667762	659455	365171	347030	242342	231304	205999	211561	182929	185367	161219	158897	374615	385943	193013	195203	306695	315848	195679	191638	236578	242133	149165	143589	297824	288456	535053	530297	240080	243629	276625	279463	418869	422860	227782	231664	353877	363675	159405	164489	292515	295162	221960	233143	270621	268617	283140	276743	344695	351318
129.9664@0.83979154	311711	294213	329630	322700	211711	205383	366185	348308	303976	311031	210118	202278	240428	227896	267807	252181	335610	326276	274176	284463	188386	194618	379328	380528	246000	244617	246019	279261	14553	337032	44277	61447	60090	56809	30277	49284	38980	33397	51867	54504	64720	46532	24959	29316	32675	34440	48217	42976	16644	16142	41682	39220	69682	56941	4938	17603	56150	52424	206537	200088	199724	201087	393584	402132	153237	155419	161526	162583	147164	148774	536830	539521	181918	175804	137072	129887	147197	152116	190720	197532	389122	395127	314089	309856	128064	135047	411042	562963	467866	478303	481979	490689	342017	352734	523687	526142	405439	425867	158438	157332	336346	360103	213889	222210	217658	213504	111044	113392	199596	211776	185747	183274	253615	238324	53074	46463	53544	87400	106892	96707	94460	60953	41187	36457	70487	96615	59309	61638	62917	63368	51424	61276	99799	65921	58992	62941	66136	78063	63795	64374	73440	93218	87142	52099	56813	66719	50610	50932	37569	37034	65163	78735	45182	53191	126698	131344	31017	40398	152009	119457	96652	78351	41762	75904	68562	81737	87407	66607	92768	88871	48498	47602	126391	138905	70411	69349	58572	62747	72282	85063	99549	102291	68430	67386	136183	144832	179067	190006	78971	94029	171325	165546	159510	156501	68002	83879	147719	156387	66274	65396	133167	134316	36828	28433	120325	115588	182144	180539	120848	136218
C19 H24 N9	11529	10819	13644	12014	11323	9899	1	11111	10962	11041	10819	1	1	1	1	8586	1	1	1	10409	1	1	9867	14035	12961	11698	14081	12436	11534	10601	14312	15002	13044	13923	13649	10860	13597	12672	11595	9934	11760	10707	13241	12581	13024	15780	10821	12148	13139	13319	13981	13134	13271	14486	14036	14404	17557	11898	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23392	23892	22771	22165	19565	23582	25278	26005	28511	30210	26857	24208	23137	22035	28374	24272	23294	24258	20647	24105	17449	23975	25429	24510	27070	24904	27391	28241	27882	24534	25248	26706	28300	25256	21210	21907	23232	27901	24851	23696	364864	26863	36450	35393	36035	33229	34129	39636	37244	35463	32872	34412	34765	36204	36695	37815	33711	33397	30996	32368	31570	36901	32445	35041	35754	35471	32094	32660	29887	30324	35114	31815	32236	31734	31184	34028	30130	30809	25374	31607	30197	33514	31741	33925	34146	30061	34559	36248	33903	35560	30759	32262	29239	26240	31004	33096	29416	28200	33558	32431	31113	32028	28680	33082	31899	34598	25999	22613	17859	22121	24330	28076	27815	26044	32870	29703	27683	24345	29323	27388	25934	26318	29094	27683	23716	27627	26935	25610	24134	24975	27672	28254	25654	30046	31564	32972	24980	26658
673.8664@0.83726764	306541	305790	307937	301667	311868	315410	290432	285713	299829	302825	313674	312193	309330	311531	317474	319647	277064	282285	301459	303889	307317	310340	271836	275847	319812	328408	318175	312377	281346	294597	156101	158152	162230	172778	150407	150555	152631	153140	202839	197407	175459	167124	140373	141821	153245	154019	190703	193164	105365	109455	196167	189385	230842	229745	108663	103042	216386	205937	159832	156036	172912	165747	127330	124228	169689	165790	174859	167401	153246	152424	73494	75124	337271	337548	282339	280366	195091	71172	51488	66121	51962	63429	87654	99824	148352	163027	68210	70057	98252	104878	107716	112748	267730	268055	147879	144409	190834	184407	309498	309816	226469	225273	303570	296176	300428	288808	255938	241639	299235	296114	288503	292576	420600	326060	130068	130386	124448	121295	172929	172040	132515	134253	101621	101432	137799	137259	135210	139640	143961	145474	134764	130107	147683	145328	139533	137697	134495	141577	142036	137901	147577	149204	130137	129015	110915	107097	125716	127918	100780	100587	132964	134878	115420	114815	181863	180092	92499	93803	190975	198439	148430	134276	91884	100600	199840	198819	182182	184189	195994	200749	120879	119137	238563	238869	198735	194280	167045	175088	207320	199089	229422	233028	168230	164141	276235	271937	272562	275665	221412	216415	280774	280540	265064	272927	188980	184353	278390	273266	191410	196085	273145	272994	133514	132559	263760	271775	302884	297250	268452	266012
C5 H11 N6 O nullnullnull 3.3399978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	442894	458570	470864	485242	471497	439605	499902	510061	521930	557909	508987	517017	428455	443592	781006	579795	898213	949749	729691	791840	1024459	1178577	1067924	1092758	1084399	923692	946343	825228	603554	627201	777667	782741	833196	836864	1	693476	1570228	1587980	1554183	1599670	1741161	1678259	1680857	1606275	1717447	1755229	1729565	1757488	1753824	1758253	1833024	1879314	1792735	1791514	2324639	2034655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Bispyribac	121946	128745	129618	138129	104869	101599	112825	111157	182236	183768	65315	66947	75413	75982	95596	89720	40588	56116	129179	130198	85561	87542	209423	218602	123775	133434	178949	174356	155483	156003	1	1	1	1	11098	11241	1	1	12065	12133	1	1	1	1	1	1	1	1	1	1	1	1	14731	14630	1	1	5883	6957	24278	23377	50111	46291	264561	250181	9485	10737	15900	13583	35627	36925	32167	33482	13864	11464	42978	42343	1	1	19439	26122	175656	176781	209850	217221	25628	24268	101654	103965	123482	122615	70065	72569	18903	44371	125720	131115	156182	150229	17297	17260	378145	363168	50376	56995	57435	53695	50840	50521	35030	38278	54318	54407	8765	94182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7651	6984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42111	43356	41728	41465	1	1	1	1	11931	11620	49135	48273	63407	64174	70949	69870	89683	86427	43319	43586	30000	30496	110911	111501	71329	71710	54479	53518	132650	128544	72324	66760	131052	133617	65225	67378	16187	20451	1	1	15441	15557	98081	97714	22857	21709
C18 H30 O3 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	123477	122946	123248	123212	134451	105779	121989	118621	119224	119235	118484	120472	111525	116874	143484	133535	68102	38968	38757	42109	68834	60870	98399	48277	97588	77781	56474	62246	37727	34261	29268	36937	43105	37777	36194	39000	63061	41476	51500	43584	74821	69157	50968	26365	46615	45366	48729	39608	59552	60013	60701	59694	43756	47568	564925	50164	73391	74124	100586	89157	84202	102151	77037	83578	69978	71871	71248	66474	87303	81406	105348	85357	69371	60959	83106	77611	88642	95975	74973	74339	64881	79553	59172	69364	85768	79477	80999	69722	128129	103731	86780	74417	59886	71984	90932	87410	108379	79922	172551	155988	75886	82606	57997	77643	93763	90143	361598	372149	229833	384970	411514	413088	404539	382559	408328	386785	378793	258660	386698	345769	357168	369738	355310	377848	249727	339083	393248	428852	317058	416330	387108	398518	359519	338143	348375	231468	339058	390761	408555	376615	386028	347955	363199	405519	380968	421948	369498	387185	437367	381259	427405	357725
643.3705@11.913011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35591	1	1	1	1	1	28413	1	62839	1	1	1	1	1	1	1	53974	62441	833291	231129	59202	24541	16988	1	1	1	1	1	24836	1	1	1	87331	1	67974	1	13444	1	88082	41780	1	1	163374	27964	1	1	80827	34538	1	1	54213	1	19139	26099	24148	26342	21148	27125	25943	23410	1	1	36847	45985	30803	36695	35060	34255	24840	19985	60177	36166	23691	22499	16825	1	33836	31595	57663	34677	39708	33577	1	1	36541	35502	1	1	25922	26583	25622	26281	52922	30900	1	1	23262	22624	25726	34963	17792	14144	16648	17219	17399	13287	25727	14506	17299	1	18688	1	80505	60538	12624	1	1	1	12879	10803	1	1	11561	1	17816	1	1	1	1	1	1	1	13817	12314	23056	1	1	1	84403	1	1	1	15914	1	34024	61538	14606	1
L-Leucine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16255	26919	16674	13852	80308	81952	16510	14884	17959	1	17036	15653	71713	79802	54273	34058	54185	57968	40920	43744	118879	185014	226098	204527	105339	154032	41965	40349	224269	286181	251393	257677	223412	203019	42353	82622	487198	485418	287904	294437	158194	153625	457877	416106	128691	137550	193601	199954	90833	89531	152683	160022	161924	152527	275089	274288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
neoisomenthol	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	162979	153334	140522	146909	154841	143777	174921	143178	143126	145831	141896	144950	124025	147417	152108	177927	164832	172341	189125	157390	152456	186145	185626	196052	215775	213230	189689	178426	173232	158050	199255	178959	175629	175251	137398	207096	222102	196448	189901	224503	242404	198413	208169	204657	189118	192539	225098	200930	222951	228732	205292	204970	226909	223091	4767429	185357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/20:2(11Z,14Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28650	28250	12288	11475	24049	17661	1	9144	1	1	1	1	26862	20694	16693	13126	1	1	15044	13529	38776	36674	173199	72004	32410	27597	8996	1	23353	23324	30615	30019	35795	30358	17867	15434	39584	29323	47047	33948	25263	22691	47769	37966	26889	24509	55240	22924	1	1	36339	30882	22060	22124	27874	19887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
234.1254@9.969637	11793	12895	10331	7410	13948	9779	9783	9137	17534	11396	10630	13152	17932	15080	8945	15755	15242	11376	15496	10417	18760	11359	10579	8870	10154	9035	8411	10997	8705	12057	12502	12182	12762	11823	12153	9039	11876	13101	11624	8717	9723	10663	14144	12112	8763	8749	9799	11605	8667	8795	9134	13519	8679	12532	11077	8705	13603	13850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10337	1	1	1	1	1	10728	10550	7948	8831	10358	1	1	1	1	1	1	1	1	1	1	1	1	1	11851	1	1	1	9022	1	1	8319	7421	9481	1	1	9097	1	7384	1	361677	1	9700	1	1	1	1	1	1	1	1	1	1	1	9926	1	1	1	1	1	1	1	1	1	1	9303	9585	8651	1	1	1	10032	9988	1	1	1	1	1	1	8983	1	1	1	7261	1	9286	1	1	1	1	1	1	1	1	10187	8649	8191	9972	7882	8800	1	10031	12072	8601	1	10261	8626	1	7563	7675	9375	7862	1	1	12918	8669	1	1	1	8953	8928	1	1	7691	8705	1	8896	1	8041	8911	9206	1	12220	1	9415	9780	9007	12734
587.3219@10.285269	140585	136393	95807	104815	137165	132347	113634	99478	107802	101089	127254	142512	138281	94893	171978	144690	414629	152277	177084	136210	157303	183916	175446	193662	156113	140990	85307	74963	156268	172447	8443	7297	7732	7964	28818	28491	17119	18924	132211	124738	32187	30682	1	8107	1	1	98784	100418	1	1	12570	14539	137348	115816	1	1	20563	21665	64195	64173	43047	40863	161377	144024	17920	16364	29013	30359	17021	18813	149263	129017	42343	41047	20100	16002	26634	27081	81590	77719	453926	283184	187191	166221	27680	24533	259925	275174	262356	248428	224391	205106	50209	49558	254006	227126	231632	207053	70699	66562	252842	210575	71551	69837	118850	75113	17862	19127	118837	115106	89230	79739	93832	87235	1	1	1	1	13813	11447	9082	8644	1	1	1	1	1	7557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10131	9052	1	1	60815	59665	1	1	12060	14158	1	1	10775	11118	124981	126147	129898	118924	10371	8838	1	1	119517	113940	239350	208315	147625	141901	136219	133352	204222	181711	96892	94805	251443	238361	70531	64103	123968	121999	191010	189949	139600	140479	145541	148128	176618	155667	139398	138901	320909	177807	1	1	239082	210628	391859	483459	199760	192801
C6 H4 N O2 S3 null 1.3603094	1	1	1	27590	1	1	1	1	1	1	90655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	190154	104168	1	1	240273	230841	1	1	1	182399	232536	1	270317	1	1	1	1	133512	198021	159015	86117	1	254017	790435	169343	192208	80966	81475	256150	277070	1	58159	136862	140325	288127	289052	129078	154091	22704	24170	561053	940137	197124	166529	167901	155883	1	77359	1	167471	1	51884	1	1	1	1	1	1	1	1	1966006	287330	1	1	82625	1	105399	158279	1	1	116966	1	124384	453932	225906	1	241993	1	171858	352347	415441	367709	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
771.4157@11.270382	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10549	1	14409	14387	16564	1	11028	8381	1	1	22518	17011	50133	16284	10565	9759	13759	9662	1	1	48038	41539	583823	141037	54934	30343	35557	28192	1	1	1	1	23840	16368	1	1	34234	14986	53696	1	17381	11621	56961	38782	14913	13424	83240	19755	9255	8116	45297	24092	15798	14823	31511	15956	1	1	12723	10642	1	1	1	1	1	1	1	1	14494	1	14369	11898	1	1	18662	22837	15872	10900	1	1	1	1	1	1	1	1	1	1	1	16475	1	1	15414	14031	1	1	13593	8772	1	1	1	1	1	1	1	1	1	12680	1	1	1	1	1	1	8368	1	29486	24042	1	1	1	1	1	1	1	1	8527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31734	1	1	1	1	1	1	13785	1	1
8Z-Tetradecen-1-ol	440282	416245	98061	281523	54523	65943	284753	132814	330357	328307	173104	331615	235585	97343	542197	305408	533205	62805	61832	132245	62250	1	139745	303506	52132	116042	416557	405896	132704	18652	270943	341877	295427	102211	1	380852	1	143675	389586	135553	1	45603	1	289649	260400	222731	402528	147790	163100	1	379383	274890	185282	183595	474839	420765	273188	430633	161025	192622	98751	24053	217685	193660	192013	69393	70470	145233	144140	92813	61604	196113	185554	216612	115117	146838	75861	204604	207306	214563	126231	42154	243999	57360	34849	221021	199309	179994	157538	184758	40642	107618	161719	69250	175490	55975	51292	1	254857	103377	251588	66898	260929	113544	292864	232743	253205	40722	267795	48884	105329	257454	3304563	130668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H26 N2 O10	18962	15381	16280	16492	15636	15446	18245	16043	16509	14894	16479	15551	15560	15042	15600	14749	16494	15099	16673	15149	13895	16243	14535	18152	18537	21011	17158	19004	18615	20333	15871	19544	17822	18483	19833	19502	17952	17590	14466	18370	16997	17287	16419	16212	18310	16582	15124	20615	18241	19422	22454	20346	20089	19256	19062	18768	18883	18918	12840	13958	15787	12973	13350	14293	11989	16549	13306	12338	12607	14334	14564	14782	18440	21034	21786	20479	20615	18678	18588	17548	19203	19079	18769	19416	19521	16359	15508	17185	18724	17940	15017	17516	14698	17562	18565	17431	20385	21308	19413	18593	17396	18252	19454	17657	19146	17974	18770	18723	17831	17188	20276	20049	362789	21650	23378	23025	23492	22048	21736	24233	24276	23889	23926	21513	25603	26037	24717	23151	22838	24424	23110	22155	25593	24100	21468	25239	24957	21559	23389	24289	22974	28147	23939	21574	23742	21402	21492	25210	20955	21770	20546	22442	23066	24692	21844	25134	23691	22142	23205	18865	25068	22056	22621	24120	25519	22862	22879	20153	22303	25732	21818	23330	23284	22042	23851	22455	20577	19837	21497	21880	18887	20658	23175	21713	22507	19676	22466	20146	19274	18443	22686	20266	22079	20575	22206	19806	18717	21256	21484	19240	20344	20282	21419	22808	23117	19439	21898	20562	19422	22638
C6 H6 Cl2 N2 S2	365704	359976	372680	369930	405504	414073	345815	335054	385746	384066	384487	395466	394803	383805	8577	355413	361528	370827	363360	371718	9866	367677	318507	317693	365158	372351	354398	360947	326725	336592	457061	29337	17779	29908	473126	13697	454679	24987	18032	26375	25824	470770	18059	466939	23211	24876	26397	438784	28348	22013	21801	25110	16956	30720	501308	28558	470832	20335	327811	331198	345601	355035	239958	254271	399860	400702	403090	408245	386549	371673	158009	163681	258923	262570	364471	377124	413710	466041	397297	403285	216646	204322	250443	247626	376737	361262	108360	105788	155324	147093	157936	147463	221897	207435	158891	156994	191469	195345	342638	348357	226913	219582	285013	314020	320477	320562	376372	389543	307165	310901	348020	338834	360594	349702	442315	455158	490706	482563	398030	410741	479766	494201	492829	471871	497767	503765	497710	503157	454601	496178	476581	501456	450490	478035	467751	481547	504100	504206	477176	471498	484605	489173	494976	467211	514040	521966	483426	500456	544951	548423	513096	520681	521154	519179	382582	401111	519438	513291	444673	463242	487198	496823	519882	527756	321655	299703	319643	350810	292835	298472	449930	425903	317647	306858	331845	353739	455874	451344	337383	334540	326860	353230	374228	345934	351135	333298	297239	303147	350484	344915	336041	328882	339213	347848	328668	350350	324786	320965	334874	336508	354647	339135	485481	464388	349478	341478	348971	319629	346589	331972
707.4006@11.933003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22265	1	25628	17358	98931	1	36929	27401	1	1	48654	26569	146362	21671	1	1	1	1	1	1	89097	27011	417946	285866	119104	39161	44570	26616	1	1	1	1	66943	1	1	1	177609	1	117624	30087	25205	1	104724	97781	1	1	88809	37068	1	1	106261	65248	1	1	49859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H18 N2 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67161	69299	66285	60368	171355	170177	29540	29943	41516	37910	55742	56447	268379	258795	56737	54364	46220	46786	34661	34949	73111	70759	257600	257302	300242	309578	52789	50910	260701	263580	227303	225538	285604	274728	50934	55558	222035	220249	375410	366381	49064	49493	200923	201501	66863	67309	91969	93789	33354	32227	70247	66599	60937	63651	95309	88831	130448	133096	79474	77023	119971	116571	71616	73518	70995	69916	60314	57877	98463	101355	45203	44516	117613	120929	66687	66711	161647	158806	121258	119772	62949	64910	66433	70084	70776	75225	128678	123322	64804	70125	91403	87937	55166	52713	108950	107287	142088	138308	81974	82122	161261	156238	47895	49261	106243	107235	1	1	1	1	7303	7480	1	1	36566	35977	7161	7217	22915	22675	1	1	12678	13678	1	1	24103	23953	32737	34394	6286	6429	22448	23476	19058	17964	1	1	32924	32569	1	1	16011	15000	1	1	25075	23884	47696	42869	19559	19816
C36 H57 N10 O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21618	16779	28652	24699	21683	1	21842	17369	1	1	30822	20778	61816	29366	1	1	19501	19795	15181	14958	114063	76464	360577	112021	96648	47726	49888	39464	1	1	21966	27217	42623	23493	13046	14476	71973	26012	77742	44021	44400	31696	99628	69444	31525	29552	185279	46730	13837	1	86837	52735	22713	25060	58234	23975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 9.984003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21587	23070	21700	24885	22243	23621	22176	20257	24483	20870	21672	21481	19668	21482	20459	21511	22317	20734	18012	18976	21904	24301	14890	17637	19566	19523	19521	18422	19712	18008	18534	19905	22425	20724	16351	20631	23935	20516	21966	19195	20136	22051	20214	19378	21032	19698	17223	21970	22891	23176	20252	19964	19156	20155	493491	20026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(+)-Abscisic Acid	133848	134531	77820	82584	58416	57366	79649	75260	132457	120770	68180	72742	138670	144550	199012	202926	141055	148128	110676	105590	95392	89740	79873	86591	40052	40675	52108	52227	73162	81626	21121	19498	211247	209920	143765	137706	333372	329680	314972	321984	348909	352375	174969	170374	48528	40430	327529	338687	19291	24508	22636	25258	104756	115670	54456	51698	200201	197467	17024	15833	42819	44612	16756	18907	16898	19859	1	1	19923	23085	33058	36670	37304	36497	20741	22586	23720	18615	69833	72551	151152	141985	147365	143690	49626	51836	46067	41663	55958	62322	50207	48854	35377	44431	85526	83951	129608	122386	51144	50910	111485	118133	55016	56442	64205	68131	14280	15544	115272	121837	41820	42995	115212	67981	38936	31861	24061	24968	50756	39596	27897	37435	22559	23156	26546	35273	22593	15661	35014	27451	19831	22422	34546	34422	56763	42410	38517	33664	19192	21613	19606	14573	20000	17118	24262	32884	18589	14196	12184	23180	27974	30437	24363	22970	75425	81757	19778	14675	41048	32140	22572	25900	25335	24058	17223	17502	14070	11971	19574	23347	57562	59195	33140	33277	15990	15857	65870	64737	11777	9433	20312	10280	9996	9838	38045	43871	52029	42079	27969	34776	24932	22131	12632	14200	21044	25510	25389	28304	11063	8119	41650	42678	21434	17311	13820	16371	184265	20650	25582	29756
967.0081@1.1771619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1172196	2570677	344222	1	1	1336600	595702	318100	1	2161053	2241210	989208	1578964	2129876	2576596	2429456	4250366	2501099	1	2430832	1	1	256873	1	719593	1008433	1138356	1075025	377863	980800	1204174	1	1021334	1	242119	83130	4827125	337993	467902	1434802	1496174	274675	68333	664259	1355968	1202611	923520	897393	515455	644820	1309164	1	1	1188699	1204406	1116475	1	1145531	1221983	1147954	1	1	7714684	1	1	1324570	1	1	1	1	1	1	1	7005392	1	1	1	1	6181341	1	1	6543534	6588489	1	1	1	1	1	1	1	6518571	1	2888403	100546	1	1	1895092	1011829	1	1	1	1646565	1	1899726	1	1	1914013	1	1557607	1	1293217	1741113	673248	905171	1456137	1	1	1	1435677	1435237	321797	1465468	2374569	1	1555577	1665620	1	3433484	1062459	1610980	1536844	1669968	8346442	1629102	1507807	936350	1663898	1594581
197.956@0.8755624	282212	288131	244313	255414	358588	359454	256796	253727	334845	323958	386324	383108	292931	289948	228810	226420	318268	296247	293540	283711	351743	371772	203945	201368	354193	352191	314858	302774	234130	227501	600132	599757	623598	614840	694501	684726	683224	672153	496569	512346	663119	633769	588779	601027	350509	354446	457492	458100	634017	640928	501880	507680	475122	473740	787707	781247	603499	613308	365263	345619	268641	280353	221559	234132	373008	391554	402678	403085	330921	328732	191645	171615	342728	324329	411241	399105	356345	273998	132285	157745	97334	101078	140179	148467	234920	249861	188117	186410	173415	178953	184666	186022	245307	230147	214039	210369	194802	196153	335906	323951	207706	210292	268584	271553	269083	258510	376748	368010	228797	234621	304663	294062	294469	294409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13533	13823	22355	20893	53965	30167	14335	12299	15333	11640	14404	11298	36686	20097	9560	8525	11183	10452	10699	9390	36652	31267	406540	120900	47145	25793	18443	15570	16614	16431	33052	35336	43686	31274	9610	9792	58753	24888	56153	29732	26377	16537	66437	45605	20033	17021	113237	25310	8118	7105	31011	21603	16344	18266	28250	16645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34127	30577	1	1	1	1	1	1	1	1	126371	135806	112953	93098	15592	11915	1	1	134274	89656	382425	279049	70820	51110	67622	61334	160487	108056	72480	70177	109340	73785	55748	37940	81314	76585	82346	73178	66856	54372	74032	68951	145178	79024	96423	97093	394197	65119	1	1	154735	94649	328085	505330	114203	82070
510.3386@13.472366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11919	1	1	1	37504	6829	11800	7482	12531	1	13144	1	49629	10365	1	1	6518	1	1	1	60281	46362	409751	107357	37594	9622	6777	1	1	1	1	1	42460	23451	1	1	68159	10362	74394	8266	24322	6801	61680	27673	1	1	163133	22319	1	1	40935	11301	1	1	33417	11677	8883	17853	11692	10152	19592	13067	18078	16323	1	1	15742	17637	21999	23398	39559	40516	8395	8363	44248	42070	11275	7811	14783	1	17650	19599	49312	52394	21638	21130	1	1	18070	19481	1	1	14067	28299	14461	1	65719	53715	1	1	27906	31724	27738	29026	1	1	167131	175900	160487	123709	134250	82654	70107	43377	143001	48147	610127	393513	88632	45140	44113	35670	255812	140250	72014	60680	141083	38395	107815	41938	86519	59109	97185	72961	85480	46685	71284	64270	198477	39183	75729	69442	843975	63724	31097	19594	295390	119360	726024	1009904	135690	72977
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	1.86E+07	1.86E+07	2.06E+07	2.19E+07	1.50E+07	1.50E+07	2.17E+07	2.16E+07	2.05E+07	1.94E+07	1.56E+07	1.56E+07	1.70E+07	1.68E+07	1.65E+07	1.69E+07	2.19E+07	2.12E+07	1.91E+07	1.91E+07	1.40E+07	1.43E+07	2.38E+07	2.40E+07	1.83E+07	1.86E+07	1.85E+07	1.86E+07	2.27E+07	2.29E+07	54670	55462	55685	53029	37320	34119	49854	52208	71755	71309	55363	52937	37601	35531	48985	52592	85571	88093	38433	34817	25376	25792	80973	78358	17906	21471	71023	71794	237028	220250	230330	234562	480810	464046	199710	192138	162590	159179	128312	133120	852112	845575	157296	149594	191644	184159	168868	164314	268307	277597	567404	549645	455152	459976	147964	155414	1443815	1439779	919026	957992	718660	703588	152014	165517	792685	797850	668126	660610	206749	204715	560320	570057	298742	309204	287246	289170	136291	139125	272327	268659	233564	237994	1228517	358287	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-hydroxy-tridecanoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	100803	88834	80850	1	1	57710	1	1	1	46672	19438	79241	88183	19145	38441	108792	1	99707	55267	1	1	28110	98804	1	134828	112198	1	100550	87377	116386	106182	31320	62917	107418	63706	137226	1	93766	108390	1	104209	59231	122607	72465	1	129148	124124	56169	67343	1	96863	47838	26841	139240	1971117	117767	179379	60699	171281	1	168494	188732	1	158729	157929	64974	50274	175419	67978	146314	1	152412	166587	63945	190251	36447	69357	116193	1	1	1	111622	134252	133022	173451	1	120956	172320	162184	34317	157306	145915	71794	139804	1	83721	88986	89415	142577	1	134338	96778	1	55926	1	48252	89832	124231	173905	66858	1	53439	81757	149431	69108	152721	82313	185253	162224	71013	66016	1	151276	28696	61964	146801	21841	67811	158683	1	181403	1	1	163689	120912	23878	169323	85565	65665	47570	176567	1	64251	108070	1	50271	50212	36555	192377	109865	151411	180354
157.0256@0.9028785	323441	337694	317083	326333	267827	263872	344925	322803	338111	330835	260289	262045	310891	303433	303143	312717	363699	345369	307033	306922	249313	255519	304105	336431	289745	317581	277888	294857	322115	331555	403056	406305	526187	527586	425787	431023	362646	369604	592533	595385	438404	442183	473014	471690	555648	548309	662087	672825	259940	260128	270507	282596	640155	630158	216049	214630	556448	555828	184085	101624	163995	43816	200035	94313	97957	89215	93950	95586	73193	70883	221421	227140	78123	73097	177179	177811	193870	181554	160336	73208	90840	89434	189953	197850	68925	46621	212794	208968	194414	207439	219374	214559	24531	57612	237208	227293	250715	249921	109787	100826	121477	115124	81416	85809	118907	66265	161500	153345	99497	81303	114818	76816	290752	266899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H28 N6 O S2	332482	532702	305007	283647	620423	283772	608511	306108	537710	725881	246773	539190	369912	614737	680142	314915	376179	657288	592767	623692	549381	305780	287277	733719	1403506	699921	1272566	353187	797739	323727	861020	503751	702607	505293	997757	558507	657807	597224	530774	444802	451097	419664	425695	654168	241169	696369	309770	442097	613154	634090	681029	543262	631520	669066	633053	552561	1131519	1095148	58455	63492	33425	62261	61858	55380	57159	54473	53113	58170	61015	57520	57496	54336	60085	60933	37351	40398	29268	34002	30758	38649	42648	37886	51013	46306	32195	42188	24213	26647	22508	25463	24915	26633	33483	33076	42107	18224	36457	39265	43765	38416	35825	34394	29135	42597	40567	10060	32517	22804	32867	51460	42405	29238	365972	41056	29068	50314	50445	46880	44918	54669	60520	25369	56601	38011	31090	15699	47080	39890	54842	41692	43412	42268	63571	47773	66791	60649	43553	24972	47940	44655	51033	17684	50217	41590	19566	43688	23938	60930	47983	53048	41851	43486	56050	57518	60737	54900	75941	58986	56195	28088	52273	23275	53977	41462	290216	120805	138224	330898	126048	240335	267048	165809	124200	250587	337035	137167	319587	123783	229719	297923	231023	428565	277234	216884	235388	331132	179830	133534	319668	264229	137175	277104	145721	129207	133240	272375	128143	362453	329609	384525	401234	214999	247324	105164	214852	148006	172204	196404	224860	137882
C11 H12 N6 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	230380	226945	106311	109471	227445	217412	105290	102374	68646	75687	61130	59522	395784	407187	125425	125993	103244	95891	134815	133847	100898	96088	249427	245982	369299	375895	51179	17715	360998	358429	303562	296691	314796	321617	1	66207	206498	211786	450079	437992	108800	108669	215653	215372	110979	114517	113765	109697	33531	34920	237632	239949	196933	186635	144653	128225	1	1	1	1	1	14978	1	1	12064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15343	23695	25250	15657	1	46816	47986	1	1	37752	39886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.9793@3.105001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71700	1	1	1	1	131098	36184	1	1	1	37409	1	1	1	1	1	17847	17920	1	19463	1	14774	1	53051	729180	1	1	1	1	1	1	39004	1	44229	1	1	50370	15618	305495	1	49187	1	126787	66075	23089	1	1	1	30381	1	1	64702	1	1	1	28201	38475	1	12272	24472	1	39586	1	1	1	15731	38180	36106	1	1	175178	38260	1	31257	1	9150	1	1	1	1	1	1	1	1	1	1	1	32136	1	36592	34220	40410	1	1	32754	27773	1	42705	37433	10484	40562	1	1	1	1	35364	96699	54393	19656	33677	23119	40265	35954	39332	114497	64645	1	27624	38645	1	54906	1	1	1	1	24672	37480	151794	1	103834	31126	52810	78404	87737	1	72631	1	27330	91034	1	37318	12781	56434	91473	32084	36772	90430	103452	103328	117166	97807	86697
4S-hydroxylauric acid nullnullnull 9.886703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	244222	114642	100536	104291	260330	111471	114056	1	1	96338	1	109096	107189	102377	103525	133690	123823	1	123964	131279	146102	302813	305233	155992	107139	53015	72864	143548	131833	117214	52196	126776	132352	98206	1	139779	148110	116124	137520	98062	159654	148762	165036	114234	154003	144574	139390	145920	1	1	169955	162522	157233	234609	4398754	108131	132231	116020	150744	83742	168695	421869	376716	128740	136673	122978	111334	150012	394569	168211	178439	150947	162916	385363	153490	118244	146589	167676	145911	111699	382717	364384	173148	150914	95062	119590	177044	150657	171289	102546	42811	164042	119348	162963	133405	150806	160653	183885	159658	169589	137414	102236	151588	154135	145476	96354	205366	174899	48555	165729	165039	184034	189139	184941	192058	176554	204899	188128	176179	192526	129958	163443	155403	93877	180262	154977	355563	190563	177513	162957	143529	142692	193560	103624	133344	151220	66948	175053	121018	166766	374497	162937	131831	401236	135381	380604	168762	128667	421861	79909	190607	199726
C12:2n-6,10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13525	14308	1	8647	1	10695	20320	9095	8365	8959	10593	7617	12159	10667	10341	9187	13102	12851	13331	15267	14145	14283	16426	14189	12418	9106	22013	18345	14153	15278	7778	8316	1	10826	26599	21553	15433	10877	23997	17064	11091	11457	12193	6150	11716	11122	7448	10533	16435	17439	11776	9071	468597	24454	19539	13249	16443	15911	12970	13882	17281	16618	18315	13035	16102	15996	15113	16818	20385	17354	14306	16878	17680	18979	18147	12178	31629	28755	15776	15204	27770	26271	18207	15984	25257	22704	33502	37334	29295	32978	19226	20825	26260	25148	15505	15559	16321	13144	18500	16464	22211	23197	19698	21233	14271	15063	11103	10565	13137	12098	13537	15128	15626	14310	19471	19828	21246	20144	16244	16346	17761	16093	17487	17027	21064	18889	22378	24007	18355	17300	18332	20479	17169	15368	19777	16378	20909	18366	16430	15762	25808	19564	20558	21921	18021	18291	18368	19406	19333	20140
C17 H12 N4 O16 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25509	23434	24199	23575	146541	142914	16463	14903	12469	12740	1	1	226958	220758	11007	8305	1	10165	13452	13422	20542	23456	137121	143310	87765	96471	7834	1	337081	351086	228209	230511	187811	196346	27266	34942	241259	233483	141452	146793	13653	13700	98790	100535	32113	32162	26647	27447	1	7163	22272	26592	19505	16791	27464	29271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Frutinone A	232117	209948	219068	225447	236284	228470	232154	198858	346798	336830	266958	269190	247742	254470	143884	145402	362923	349457	271998	277588	218987	217109	121966	123861	268835	261315	191481	186339	139949	152827	286551	280360	370227	387230	329714	320739	346031	333014	244075	243138	320396	327062	176018	181713	97491	97125	146155	147807	202002	193740	83146	97760	182708	189438	338478	333562	362807	360330	300599	304364	211335	196797	271237	264807	275346	279248	300030	300339	191871	199744	264163	264515	151744	140224	355542	348087	368381	353644	180078	183098	64859	54205	192140	198994	188149	178077	181162	186122	173354	180661	239990	245402	47342	77020	224598	227193	258496	266319	214405	219491	205809	205487	196323	200024	245855	232441	291706	288252	123477	126684	221374	230155	392197	338679	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
210.1613@8.473405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8774	22005	1	18151	13136	1	14956	14676	15123	13441	8845	25850	10334	1	14335	17666	8983	1	1	1	1	1	18260	17790	15340	13853	12702	13784	11733	12750	1	16712	10161	16020	13085	1	14058	15394	15810	16879	368967	20028	15229	17629	17159	17367	14655	13287	15940	15275	11649	17901	16172	14042	20351	14531	16744	14767	21339	19320	18599	20102	16663	15531	18676	21848	16943	19717	16285	13726	11201	12269	13868	17531	15491	16600	14950	18012	13917	13882	15770	17325	16141	16611	14450	10864	13409	18591	16188	16268	17552	15498	14368	11636	14098	12331	13571	16478	20337	18275	13081	16380	14211	14349	12307	11997	1	1	10743	10100	1	10591	9974	12383	11466	11523	1	10632	11693	9981	12038	10734	11485	11016	13407	11667	12595	8826	11079	11933	10113	12193	11690	1	10286	1	11901	9700
174.053@1.6517686	25984	24214	27916	32888	23832	25674	21742	24945	26227	24943	17028	22826	1	17592	18216	23373	27551	25534	23862	20427	19322	17974	25948	29325	28697	33991	30214	23710	32786	30300	28486	21067	27354	25381	21957	24631	22003	20237	28280	27084	24578	21464	25772	21978	30511	28478	23447	27475	21762	18983	24590	24006	20298	22276	19073	21042	26507	29246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	148690	436085	457286	459509	479315	413797	453508	405312	189924	155305	303187	274883	136568	133518	121144	102318	1	47395	57900	39701	30094	23901	15582	16119	22732	24773	23543	29569	44320	49526	35541	41303	85758	93425	81289	85137	81949	94153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68733	76542	76605	85292	84187	85084	81839	74647	68998	85511	75462	70204	82123	90059	35776	31009	32340	40535	34213	42306	46897	39313	52652	41626	42170	35755	52957	56368	50715	57333	39301	42429	57652	60341	46072	48310	46619	44329	42554	106468	64059	57226	61825	69718	54688	55074
176.0293@1.1650007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31257	29915	45311	44648	113140	113456	861686	864050	23981	16003	55639	59961	64498	79984	14944	12928	78075	74059	867105	843164	756550	796620	134769	133695	587575	597991	734311	721275	110536	173246	138300	175417	70302	83318	19574	50191	85400	124721	470675	486042	434178	425526	601164	528108	215870	224875	192300	181727	29281	31951	43507	40754	32103	40826	77087	76721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.9917@0.91616654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	130117	1	1	1	1	1	1	1	1	1	1	44460	99962	55731	208943	46831	43798	44464	35670	36582	1	54074	52961	31037	1	8157	11979	8144	7299	16104	8795	1	27658	6182	6207	108189	14504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8735443	359727	364643	378476	380022	401601	394583	360166	349068	367231	366005	356973	377060	385150	395061	373468	366645	357565	355502	377068	365348	383443	379805	345058	333623	370870	389520	386676	384236	357194	367701	441952	442844	428250	435795	442513	436161	439665	426186	432774	444789	422840	431467	446905	451954	462074	468671	453972	450135	457128	452756	343119	339414	452990	447118	452070	459334	425450	456023	281317	287691	312458	323316	215230	212825	349317	339980	348882	356184	368181	377087	171009	181355	292031	278712	369974	366074	319568	315564	293794	286407	186475	180952	225536	211360	314119	326465	118658	117154	154079	162926	170089	159308	232853	226672	178951	182706	217083	229530	363641	373166	250150	244707	320244	330357	341045	335048	416117	409077	342611	344938	365483	354359	380081	358040	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/20:2(11Z,14Z)) nullnullnull 11.114006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25403	1	1	1	25800	17282	1	9739	1	1	1	1	36118	26564	9804	8937	1	1	19459	18845	43060	36478	272388	89761	44808	27137	19810	16643	24288	22912	31342	30900	44034	34222	9506	1	46302	27411	53652	34224	19144	16972	47935	34522	20340	19060	61483	13586	1	1	35214	27627	26496	23449	26194	16734	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
256.2401@13.374521	24894	30554	21505	27051	17846	11219	15909	1	13008	11074	1	1	19499	1	18736	9602	51174	8556	12628	1	1	12107	1	12567	97010	78725	52118	31610	20026	41586	1	17513	33713	14988	21783	29870	25092	30055	64335	53322	35674	39885	38728	24301	45654	19852	140352	40054	47337	78414	107220	87699	288694	145303	109984	93004	153045	165817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14228	11052	44750	14217	1	1	1	1	1	1	1	1	1	1	40454	46955	77361	49603	78072	63053	75369	72370	154745	64366	80369	62343	202097	99997	80940	71811	113573	96542	79572	83066	198144	87241	161970	187590	158820	160580	185881	189507	160416	167042	157810	158480	185775	184582	170818	174286	201797	197498	164230	172689	218841	204205	184271	179177	177020	156418	184091	179155	200505	204458	199212	194744	160547	159047	156547	167387	146882	148205	183980	192645	178995	178804	284551	268778	168273	170018	211833	222391	212101	218422	175444	175215	222677	303859	333604	259145	275707	220503	215728	206008	226167	201821	572615	479642	241534	220214	227661	205698	330209	279934	250403	213728	268095	208959	282652	236071	248505	241445	249417	209695	243661	237696	256233	259384	287048	230084	241685	222859	553344	243351	254094	249864	313170	236081	397255	545994	297488	246838
C8 H4 O5 S2	138656	134358	145861	136134	144237	142620	121999	123414	179001	173646	150069	150489	136293	152928	99918	95097	175143	174431	152273	136261	136059	138230	113373	114796	155183	170118	138408	140523	124674	124901	181419	178761	188245	184133	175857	179825	196049	196101	183652	165336	186856	189075	160840	167309	134319	131487	145618	146043	141756	157457	93562	93945	162659	159924	200975	207455	186249	202746	152219	162918	117200	128527	146373	150759	160567	160459	165621	155405	138212	133109	151493	158205	106841	106604	166679	160903	172699	166350	125940	130793	72374	73896	124126	118700	130890	121344	135286	144782	118181	125843	133624	140764	107213	93436	157905	151677	150687	146925	145823	150827	135410	133898	138667	139002	148494	148528	176530	167069	113595	116915	142692	134899	174454	156816	257494	249348	281259	263035	264222	256026	253125	271670	223695	239531	123048	231747	229477	221874	211992	213017	243250	252634	213000	209695	227983	219417	234184	245415	222498	228604	245729	222588	210158	212652	244487	258192	220150	210462	247406	254136	247583	254823	220003	212719	181398	179287	207945	205519	238748	235315	140478	199099	194645	202573	114458	108947	108378	117254	119109	117918	147038	146641	116903	120968	115317	125381	116384	124696	107775	112431	118851	117888	113362	113416	112673	110765	114943	115148	114728	115655	105139	101399	140885	142259	111342	111596	119305	129264	107016	114362	130255	112620	106048	109031	108284	109275	96533	104490	96888	95733
C4 H4 Cl2 N O3 S2	316846	312515	313604	322658	354271	346525	295765	284020	330202	325659	354491	349418	344199	347291	310506	302367	298670	308466	319717	323928	351503	350662	261211	265945	343823	335585	327890	336705	285992	282840	450191	449293	479858	448583	472385	466868	475435	470778	450126	455404	454512	443059	430852	455583	430620	434631	434625	443053	454370	445487	329890	326652	462056	461501	475471	483322	495459	467709	265788	267463	285314	289440	161116	170534	321964	325692	324027	331612	312745	309204	97872	104321	212920	201029	293892	290806	308159	351060	284322	286594	132490	134003	176154	167640	301152	286507	59503	63142	92154	90219	93175	90033	183919	150554	101670	93282	124945	131362	288276	276126	156509	147526	219520	232304	235469	232212	319206	315671	236144	235298	265954	258130	267897	260181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
522.0407@0.8919996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29127	34033	30602	32145	178856	182104	17948	17739	16947	15209	1	1	229217	220767	17269	15781	10908	9625	18729	10604	24381	24575	151393	153891	100118	104441	1	1	342911	340165	244775	256021	186913	193685	40564	46328	265654	261821	172442	172102	19544	18058	128216	124766	44546	46466	33780	34027	1	1	31704	31233	27973	25653	33833	42852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Hydroxyethyl methacrylate	22932	40702	237509	207297	43483	81954	112317	89453	503172	171652	102918	68781	26270	195605	152008	272210	13231	14549	39910	29142	78960	6938	10586	18692	179799	147601	338994	254190	118776	133793	124375	160535	103586	13598	97953	37772	21812	66674	36396	88088	23235	66161	99013	129852	1	25973	25589	220817	92250	49840	173840	1	73036	61334	66207	35612	130913	37723	33757	15897	56583	50950	78033	63815	20586	27102	49690	48647	34929	35708	53914	49631	25759	51687	37021	55870	44354	39970	39073	40948	54189	66071	63891	59745	52043	82193	104970	100810	102402	100498	53449	57052	46637	29156	91184	96112	52544	61705	73782	42017	108576	95113	32868	28118	60700	77988	25785	22973	73399	47268	30502	19980	43640	44592	61495	64639	14509	180874	64623	58266	168433	206682	74820	43246	170242	37590	153724	89980	45168	47534	29751	45372	147675	18327	19936	92693	94145	71469	36223	59771	58461	30229	113581	20999	87398	81981	75392	50519	46363	102093	102300	72310	130172	128374	154144	23875	98804	164728	49544	65713	68678	39811	22832	25218	56931	165342	14582	174527	176925	145833	91388	30883	116698	64478	87675	126718	131382	72620	117808	76924	52182	105652	99968	150393	63337	89318	51935	25937	178117	135018	116172	71876	95017	74228	190094	144147	23136	101212	93471	156243	61905	112951	119484	30524	14863	133241	111218	19971	79342	15945
226.1568@8.0391245	155086	162563	70232	73881	71667	73905	108968	102888	147516	130682	78515	76088	106548	93712	83434	83776	81393	91225	68590	63070	129316	142768	102544	98869	78037	71605	148642	144778	158462	168988	196222	190962	158212	163822	141695	149019	174131	164707	238043	237009	197571	185211	154514	146192	152605	156567	178321	197394	103281	112462	32599	32693	214704	223934	86939	81788	179636	167093	19075	24561	69502	70972	31446	30331	53808	50448	41751	39644	17203	20943	52062	52745	80660	74299	37760	37254	99596	104228	87295	84385	54357	54871	65993	64755	40299	37906	267998	268991	240099	249231	33544	32743	26172	37190	341149	342139	155629	141752	313387	306530	157352	146398	127389	125856	52976	48749	23710	20584	164306	159511	101072	97217	327920	217463	56478	55049	31416	33960	28409	25325	46494	44908	26870	26662	32382	20388	38259	40079	28303	28137	55619	57963	47255	41577	36218	38703	136323	142229	44792	44830	129673	137661	48162	52266	134418	133822	183395	183341	221462	218959	98535	99277	121150	123638	27040	35162	37688	35168	44853	39068	83455	82354	117720	119463	40742	43288	32336	25748	24937	34078	49311	51644	46149	49269	47744	45766	53135	55143	49967	51313	49287	52694	66505	67835	67392	70456	77260	78702	56484	52722	62210	58520	59964	63053	71477	69339	58714	58115	57909	62405	69272	63918	76633	75852	56402	52527	56650	52268	72506	68026
88.0154@1.0944382	55716	80630	55079	55492	41622	54602	60953	241993	53215	73791	36244	40485	52574	75778	49601	46310	44867	48889	51334	237917	33258	46080	92245	129271	57847	74911	52250	71790	67745	83291	132830	421999	150141	501596	169321	20718	140914	141427	27862	20872	149303	156107	311775	322443	637538	664509	66916	48654	253731	266845	102680	13568	47473	56456	83854	165211	209669	30473	446675	440450	474780	473604	1068663	1054619	349899	346131	352267	346085	382126	419385	2658300	2706718	349327	353647	389638	412861	376057	383152	452037	438978	828395	823183	808074	789585	298835	310232	2738012	2700585	934794	925606	1066851	1117687	614476	347373	1195480	1203512	927905	910884	426086	440346	881504	856335	532713	554575	807257	776366	284815	385669	574437	633713	367347	348316	751098	696027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
285.9226@0.8506307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	214281	206533	202076	201879	243859	237276	206834	205545	199750	211944	183906	186896	276554	263908	142858	132073	192739	194858	201212	192585	189051	194491	229030	216971	201429	206167	173541	173893	242766	245463	222262	225447	223445	223274	132360	132265	266876	263004	234396	232155	200349	200401	222132	216066	191319	203801	194008	188247	195139	194421	192123	195491	198927	192130	192561	215379	62285	59163	73213	68481	52974	50308	65256	66267	73082	71241	63622	59711	66559	65776	59962	62366	68107	73214	61103	63098	67180	63872	68948	64904	63342	63681	66660	66140	65529	61769	70269	69493	65540	65147	72274	69417	69093	68754	64579	68623	43113	42772	72401	72816	47927	49843	59936	64936	69577	73278	32945	31344	36583	37816	33779	32755	56138	54513	32318	30493	37812	37395	50541	48979	40285	40847	37945	36344	46167	43806	32847	32422	30919	29151	40265	37798	31412	30598	36375	34947	41076	42303	31666	31919	42739	42082	37147	33040	59384	61691	35704	34054	29098	29837	34205	34578
267.0967@2.4779987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33977	31551	1	1	183011	174441	50853	53330	1	1	175205	174702	782811	806972	1	1	100879	103049	1	1	117897	129973	716055	741069	254760	217569	163426	157344	245864	247897	114067	118839	371869	369568	1	116791	400794	387218	265918	268385	41885	44797	101331	104327	128185	136755	139920	137654	89077	96693	49734	48589	30433	30896	1	171794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H21 N11 O12 S	32133	32690	89972	88875	49765	47885	118597	122284	56133	60642	77149	81972	88355	83986	76815	77889	39639	37995	70527	67856	14756	16975	172647	176686	101056	109174	30889	30639	45993	44993	133039	133742	202502	203678	45291	49067	147903	150026	158789	162891	269622	261016	112807	116323	110709	109933	228280	238059	45104	41896	41602	48291	207883	206063	41529	41738	407510	415723	12245	10947	53643	51876	170010	172890	18517	19177	33653	33580	48831	49084	325365	318490	1	1	31112	28235	8590	8863	40005	39764	183322	185232	85849	89215	51036	52984	195664	201651	136609	137040	221420	254226	27088	26741	218609	218591	120983	126144	38952	37794	71535	85060	34256	27399	41699	43492	47787	50179	9102	8692	21650	22085	48118	48203	240674	248721	278275	268391	272141	280722	299876	302834	110120	113807	320527	318404	308211	317379	252033	239987	280376	278943	308274	310455	248425	252832	222572	225258	283268	283801	309168	306034	273615	273827	261567	257160	293855	288297	165788	164479	277832	279476	186625	185287	226645	222544	144213	143946	435639	440799	354863	354585	150897	150535	1	1	1	1	1	1	1	1	1	1	1	1	7582	6769	1	1	1	1	1	1	22146	21352	1	1	1	1	20739	21421	1	1	1	1	1	1	1	1	14982	16351	1	1	1	6271	20177	19768	1	1
?-lactic acid nullnullnull 0.93941236	1434425	1475648	1240237	1248117	1003436	994135	1483859	1381526	990998	931545	867362	887178	1306400	1360974	2099641	2104557	955150	868368	999838	994035	1079099	1133162	1417289	1578170	930471	975088	1291464	1327562	1169190	1378600	4253185	4192959	6075250	5911818	4451438	4505878	3613860	3623325	7750498	7690685	4326124	4299128	5754899	5850321	6786370	6840104	8981297	9175081	2583292	2491744	3000590	3129108	8435023	8187405	1970608	1912044	5275812	5359676	897324	109078	151665	100093	272616	223381	863756	43038	56510	62979	82002	61213	321727	329475	1003956	125186	787034	808200	959627	805017	919277	971658	376759	328069	286018	334976	72172	748021	472850	482579	367248	403596	442395	411852	497405	106224	416417	355375	399845	464980	1205875	1211783	1921146	1912198	10690	137354	1475085	1445268	585032	51624	202505	207701	143443	142320	259103	217845	45766	47537	21580	21375	65052	61682	18751	20773	32288	27164	14754	13171	27539	97403	34337	26980	24486	25509	21535	14569	27260	22549	13601	18438	15971	14658	1	1	40632	34099	35445	14906	12514	10691	85084	83554	38309	30709	33221	21764	38824	42945	44594	55070	70937	60983	18755	19686	77417	83422	108436	113614	128458	133200	141635	149628	69339	64215	327754	303522	151483	149480	56832	60517	108847	98633	256596	240098	91445	21944	65722	74780	322282	289659	146020	159907	89891	78364	268448	298220	107248	112562	266781	288467	126170	103590	233521	64304	109073	41354	45163	70162	101869	99873	286737	260073
126.0055@0.88600045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	625398	616079	636493	657788	1027049	1026582	583052	585932	578542	600196	433322	433971	1185994	1184342	596125	570474	541836	515213	624850	596228	701088	723882	1029122	1034726	897642	892125	422718	452809	1429091	1430725	1150804	1188107	1081446	1091182	681063	676947	1253576	1289802	1073560	1069184	626453	648070	954892	952707	770247	773465	726660	712622	412268	423170	730033	739502	689720	696622	872227	845438	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H38 N8 O12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76028	77430	86911	90921	189902	182947	57158	59817	69050	71785	50351	51477	288598	286194	30255	29781	39213	38340	56565	55503	101955	97916	223164	220357	191406	186707	56161	53071	273638	257485	227214	232416	240952	240796	42704	45747	252219	247088	215629	221910	47216	42784	165855	169663	98008	98267	98504	99612	24112	24180	78971	81212	73115	70428	115600	117011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Cellotetraose	1	1	23406	23572	21971	19852	30490	30836	1	11720	1	1	29522	24997	16875	17567	1	1	20819	19036	1	1	68970	72366	34132	37910	1	1	1	1	541098	532365	1002303	1002091	1742384	1756141	838067	821536	2426946	2417032	421914	414363	1257526	1298913	361993	362664	1501641	1529212	343790	353744	241519	270537	3203778	3152505	432910	425836	2145059	2136705	196124	192923	164668	167688	153457	152086	70007	67802	134028	130469	56073	57516	280615	269354	84514	85793	107097	104642	67049	69245	137889	139872	95524	93840	194493	200000	111083	112049	411988	413360	406559	413734	159305	156737	61166	72577	223548	214047	300904	306221	192485	192864	336700	338736	135990	132171	149402	144339	44398	47235	237441	238457	217883	213910	265882	239071	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
413.8868@0.8456178	300627	316207	287655	298889	346450	333535	282430	280870	314056	308242	324943	324294	331488	334919	261450	287876	308835	307052	314593	299954	333542	332104	249562	251935	311000	321679	316406	322703	276699	271688	387808	394615	401089	405374	388355	378399	391005	395258	353632	360502	393810	388143	361684	369143	372681	373808	363324	359432	409512	423978	196337	207389	373427	359026	447437	437626	398042	402580	406176	390416	347603	344824	253455	268821	389909	387318	427330	404682	365106	373344	183725	189111	256696	242809	356765	348865	363652	332512	281111	295912	167952	162024	239067	241537	305258	317916	119577	122095	154216	154842	166359	152769	159340	161959	181209	179221	210704	220682	366202	346645	242914	239253	321391	323823	309074	328091	356660	353502	302941	315539	333665	335972	309169	327967	39893	41288	42575	38820	28786	29485	40991	35217	40464	40722	38399	39442	36578	39554	38683	34017	44228	42277	42999	41543	39616	35389	39250	44215	41974	40573	41741	41190	42626	38446	43101	39584	41727	40992	39054	42461	38543	40812	41036	37329	24337	24383	39714	42198	22007	24332	43286	36692	40742	42129	20248	16743	21676	20936	17732	16030	27485	24024	21083	20659	20253	20364	23029	30416	23291	22423	18275	19917	23323	22047	21208	15721	18835	18740	20210	19778	18666	18740	18240	20954	20657	17541	21404	16868	24303	22420	15043	20492	25670	29249	20564	15651	14358	17413	22935	20369
C12 H16 N2 O7	90701	95618	103672	107437	45213	36025	117600	113134	108487	100355	57144	50451	70921	73210	62172	65752	98487	102613	76933	73943	31139	32465	127573	134475	64863	69082	66960	67081	115736	118845	1	1	1	1	1	1	1	1	8162	11872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55595	47901	53057	56180	163485	166778	33930	36481	44879	45177	35903	33971	293653	296261	22175	22239	33167	35628	39125	41649	73259	79423	224029	216369	177277	170056	38183	42624	335787	330799	236732	240947	255220	246266	39557	44985	260054	255658	201005	198266	37148	40570	163110	159110	71253	72243	79565	84202	21887	22426	66491	64386	56651	52975	97632	94922	15047	12827	1	1	1	1	11291	11298	1	1	1	1	1	1	1	1	1	1	1	1	21802	22973	1	1	9028	1	1	1	7001	7816	9454	10666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10370	12663	16234	15339	6734	7598	20567	19543	16157	13723	20789	21870	21317	23454	9053	9005	18987	13664	8185	8860	28443	26661	27758	26725	11656	12768	17913	18623	7156	6924	13173	11890	22884	20345	16481	16176	16607	19541	17396	16450	11429	10640	40001	35434	15413	15738
600.3277@11.66295	51702	47005	9210	14891	9026	1	1	1	18449	12419	17026	20838	51209	21749	59191	31395	171798	26996	45507	18563	31903	45152	1	1	23027	7668	10359	1	1	1	13085	12019	11306	13353	7121	1	10323	10563	157305	96536	18305	14284	11860	11416	46427	45747	85357	35791	10940	12960	1	1	86214	28635	1	1	33067	29720	1	1	1	1	19125	1	8834	1	1	1	8800	1	15654	1	1	1	1	1	1	1	37744	27557	369328	100946	30807	9488	8392	1	1	1	1	1	19360	9486	1	1	30662	1	28484	1	14573	1	39507	18941	1	1	116135	14494	1	1	34620	14016	1	1	112918	1	16335	21647	8789	9100	14121	14065	10438	8166	1	1	14502	15874	11705	10101	14999	13698	13679	15132	22068	18622	31245	30064	20262	17599	15606	18349	26646	25787	16491	15077	1	1	10817	10804	1	1	9563	9853	11037	10816	51440	39908	1	1	21840	21034	21232	21340	11490	11171	39994	41042	34206	25162	58063	29355	26862	19433	27637	10866	159799	126607	12689	1	10486	8280	53863	30493	12248	12383	18675	1	28768	13074	15581	12132	15763	12050	13146	9102	14178	14367	26257	7806	12727	11560	135202	10923	15885	9057	31491	13999	67216	108616	24048	11874
Nicarbazin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73429	73334	78877	80898	214676	213674	44774	42148	59225	63776	75951	71818	316965	318875	35061	32943	48805	45453	55017	96064	127828	124111	325606	302034	249826	238852	84639	80297	312296	296324	230103	225214	268215	261056	69905	79191	264538	266343	246572	250542	47305	45129	186772	178287	71847	76080	86721	84368	48691	53559	84085	82756	78544	77314	136898	106580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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<none> nullnullnull 10.191996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32595	10749	17116	19682	12933	17220	10361	24657	1	13601	18351	13188	37516	9872	26687	45264	23648	27907	17029	21069	24380	25121	34648	39018	37624	23683	23602	34030	18000	27464	31013	31947	31871	18202	14808	21379	29146	64154	25504	23239	35462	24672	19810	17845	28596	20456	30810	27519	28787	31036	29900	29182	18549	27576	1650674	32788	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C12 H2 N4 O6 S	67619	70679	65366	62940	46817	45179	70440	73519	66245	68886	40800	43403	57684	59614	58978	58056	61420	57724	55971	62652	36168	33172	79706	83587	56793	56896	52604	54745	62716	68023	16004	15298	22667	25801	20438	17649	15071	15330	23372	20908	34526	35910	14729	15217	21165	23770	25455	24215	1	1	14023	14097	34309	32059	1	1	57739	60072	227960	235237	257009	257406	341047	338313	216160	207636	190745	202271	124899	122856	292157	284300	172187	167507	160172	158701	217971	178156	231576	243603	294239	305877	297400	313383	117186	117736	259009	258336	284303	297412	281166	296741	215001	216278	335949	335520	342026	333903	215633	213808	333843	341481	299654	300926	273112	273769	96770	106689	265569	261353	262495	266614	311350	312997	61803	63008	49943	50229	82564	83175	71078	72022	26553	23971	69948	70693	71861	75922	82280	77593	60649	61018	79529	83294	75108	72908	63628	67979	67936	70839	75635	76201	66134	69712	46771	48342	51002	53475	26506	27159	65716	66689	41462	42381	92441	97966	27264	26119	126489	120550	83300	78188	33262	30485	11390	11899	8351	8864	15698	18109	1	1	46594	50881	12442	13410	25255	23977	9484	8943	16838	17008	1	1	50412	49013	84177	85973	14621	13448	47347	46165	64295	62744	11203	11533	61470	61028	9564	9858	48009	44646	9543	8479	43114	45422	60202	62570	52559	52831
271.9064@0.8649324	185934	182173	187056	192810	145944	154145	205986	205184	193938	197382	145390	150894	167395	175956	156602	156862	213672	198592	186249	183132	140457	150519	211723	204924	172537	172295	177806	174892	215197	211199	74487	66511	77613	76313	76638	72562	75278	75070	70515	70698	79795	77767	56869	63345	47168	44663	62125	66150	64993	51683	46491	51080	65205	74840	68288	67126	83114	82589	170809	175536	147835	152146	238324	245570	139916	141159	151706	145521	121882	125283	358065	340485	108033	100600	111620	105491	123320	113787	134091	143650	231129	225148	200683	218460	103836	110758	302029	302130	250944	252262	249406	249738	120574	119468	268812	264957	228337	221943	117718	115992	202242	196148	144084	149927	141497	134686	92352	88740	135034	135818	133179	125269	129470	144850	118396	112141	109107	108923	103628	104101	106505	109166	112283	117138	125673	125358	114654	118209	126189	128412	113325	120205	126798	123220	115121	124239	115859	114919	121380	117171	115753	121749	127413	126036	111417	110043	119693	124453	105310	104884	117180	108182	111805	111665	123265	119449	111680	114621	107627	107312	123110	121777	106615	109972	102358	100255	123798	119083	128670	126683	121496	117558	138717	137940	127307	127810	114685	113043	132545	119198	117325	112977	125583	119988	115509	114265	137042	145001	119017	119376	122722	115945	131776	125647	119241	129736	129842	128120	133170	120110	116507	107716	97340	101624	122247	123268	102928	110015	127504	126753
323.9204@0.8425328	306181	290517	302897	316089	330569	324180	280910	269842	308703	306024	301571	305504	318725	324826	292720	286902	309146	314902	316129	315947	316606	301307	267704	244413	298066	294007	314698	310048	289768	290524	339230	329724	326684	314961	312628	307757	318956	313836	307393	305211	322128	319313	316188	310508	347125	345988	323884	326820	360019	352619	170977	181289	311092	312120	341118	340752	303779	311284	386187	391650	360606	355339	280720	287648	388197	380410	383013	401245	372482	371066	252237	271527	263115	248592	331648	329478	351955	338366	311374	317190	226568	221660	267256	268350	315899	314601	167969	166500	204434	192200	191802	199039	173771	169931	229679	198910	253160	256187	346359	344107	242919	264783	332269	331949	316475	317003	344386	340540	326566	327160	329757	328658	294026	330383	372084	369739	351052	354863	267148	266904	360925	353194	364195	363472	362261	363284	336185	347509	368197	361360	372985	360813	383897	380124	378720	383097	385009	374021	367989	371831	372209	369787	374292	389516	376314	374670	361032	368371	372527	375109	370213	368694	385309	375088	281282	286278	383137	382830	281436	280358	394000	398125	380356	380156	218247	207834	228466	221330	215457	217657	260806	257236	259373	249635	228538	218262	299879	301740	260803	249058	206631	205602	238265	241130	193724	201967	249598	254341	226029	225062	207671	196414	246242	251145	244788	235607	231655	219617	245417	256376	207999	186930	272522	277895	224005	223825	186802	185309	241337	232310
5-O-Feruloylquinic acid	10120	11790	12097	11333	1	10027	11034	11552	14671	13266	11483	9637	10773	10336	11338	9814	15737	11879	10961	9763	7769	7908	10598	11134	10248	12322	12500	10571	17833	17330	35560	36761	82299	83892	36446	59235	32591	30035	124480	122505	40292	41001	62493	63971	96570	96413	184752	193159	14881	15614	15543	18044	174158	171983	10978	10556	50838	53902	23871	24023	14993	18718	8673	7528	12488	11129	13931	11495	9751	11839	19617	18454	13042	13992	15603	17115	16217	14684	21367	21208	42242	39377	13154	11068	10956	10044	78666	82244	63033	66802	21031	21398	9695	13400	25344	22973	19658	22641	20152	19570	21186	24014	18414	18476	21573	23364	8847	9039	31845	36523	21613	21436	7607	22435	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10384	9650	1	1	1	6174	1	1	7516	8080	1	1	17585	16043	19785	19664	1	1	15483	20531	10902	5912	1	1	10124	9468	1	1	11825	12026	1	1	11181	12865	31601	36494	12187	13535
C14 H14 N9 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14447	14907	15366	14834	111834	111277	1	1	7890	7884	8311	1	159642	158258	8748	7548	1	1	7552	1	11040	13113	93577	101830	57185	57046	7649	1	314725	317763	188288	196222	130668	133157	24071	24415	191109	178830	97519	96065	10262	9386	66064	70283	24756	21513	17419	18689	1	1	19483	19920	14021	16224	15937	18743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 11.328756	1	1	1	1	1	1	1	1	1	1	1	1	10881	12056	1	1	1	1	6963	7194	1	1	1	1	15365	15819	58176	57266	40646	45306	1	1	1	1	6477	1	1	1	14157	13184	24298	23714	13827	15203	19476	17116	14509	13560	15578	17996	1	1	7655	7030	77462	74616	58183	59058	9554	10591	1	1	32674	40398	1	1	15974	16335	37147	39157	13660	17549	1	1	28527	26110	187900	188106	67986	65800	43806	33920	13908	14967	1	1	11016	14179	25366	24883	116233	121830	29448	29641	19862	21014	154570	177926	190230	193827	11164	13274	135837	136182	21283	23337	128651	126677	285397	299478	64898	63074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
79.9666@0.879037	740189	707095	733765	707482	723378	720295	725599	749473	678696	637398	732121	694389	718935	708746	809505	768670	669968	693446	687530	706323	764978	789114	811670	797505	687773	742022	826251	850676	831773	850840	741063	714035	612519	616992	662966	647217	656267	633772	709296	694236	716030	699555	823337	839689	1256987	1176677	902791	964180	954057	956507	770754	782112	871351	854142	742273	723307	632445	635472	669525	645750	611987	644088	676613	614898	568795	565281	543355	567412	563211	568484	896058	896420	757726	731930	594851	596096	506161	491375	609448	649719	818896	803465	752814	750798	619934	625596	908665	841564	815151	826234	855663	856007	632995	718937	922841	916094	870555	893372	769398	742563	786112	799148	844654	853025	789347	745552	633906	627719	872768	888725	751137	722364	948948	764284	890125	877356	766541	765330	612356	604047	732365	705735	869163	854469	820199	839370	856251	869304	972417	1003794	811977	827606	1017643	962753	1000033	989306	821550	789287	855357	864930	788653	768739	964524	982374	786402	796270	904880	883165	794420	776930	772742	753923	896861	886267	856651	862845	941708	965364	665291	657766	950414	949995	934632	952016	604153	561763	650874	662999	744437	748216	663162	661002	677114	686037	671666	677961	835198	847905	918548	905400	684908	635658	853633	847300	626955	620955	729731	724100	721195	725275	697943	689609	638834	632147	904148	914631	675779	657505	903567	909838	648108	614433	995738	1036463	749210	728816	641517	637495	820265	818473
Isokobusone nullnullnull 11.568867	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33875	1	1	1	1	1	1	54259	46716	35713	58453	34856	53727	58043	43722	1	79184	61611	44240	65469	18916	38101	42094	22358	36805	25840	27084	47198	59165	78227	70627	33378	34682	68450	38542	64112	53085	72396	27279	105661	62289	52388	62275	61852	75096	55264	69736	92060	89006	73865	73545	57530	76032	74405	77968	52828	84608	73683	68529	74871	79284	80935	76157	87569	78593	74567	67184	55443	62060	66097	81206	72802	84047	79618	71650	87683	49950	75942	48253	80298	66076	70264	84090	79464	73890	71570	43625	72616	88766	31055	33123	78744	45361	51679	78233	85336	85193	86732	60024	150860	131716	153395	1	1	1	1	101052	1	1	103192	1	1	1	137024	111907	145196	136649	143261	1	105887	129417	168772	137234	142232	118146	127797	113761	96354	1	1	1	119201	105958	142105	1	1	115745	114802	122759	1	105265	1	1	125599	1
C5 H6 Cl2 N2 O7 S	304027	294916	307423	306803	337365	339427	279991	269153	314922	312177	346142	339403	337174	331955	296042	291556	285401	307049	309650	313739	338704	337023	252149	267140	335986	337121	322739	324183	273104	279061	417900	430989	448045	425971	435637	446273	451383	442258	430345	436025	425123	428933	418607	432474	407701	404095	415120	424433	404130	413628	328776	327440	451262	451216	451625	440964	484332	452929	261112	261252	277303	280326	154580	162870	318471	323766	318758	324057	306608	302881	85412	87996	213335	199241	290374	9421	303730	348238	275927	279220	117462	125704	168357	161606	297494	282069	47756	52673	83939	82534	85021	80696	170071	148063	93859	85302	117110	122358	284811	271141	152239	143245	213627	229455	231401	227510	314997	315694	229425	230262	256239	254689	262831	255676	412356	415169	437127	437682	353238	375403	420025	426304	442984	428618	413608	424574	428526	431715	415029	417171	451527	435212	420122	417435	412692	401171	455090	451538	432005	440610	458914	449242	427982	420724	466315	471542	427770	446216	490652	495734	451066	474657	469769	453597	337388	327284	476476	421439	368087	365239	426285	423243	453820	461328	265649	276261	274174	282015	266251	273982	399942	377461	257428	265014	280716	299948	372697	381200	319749	318755	295543	301026	314758	316614	304251	293059	270494	261137	315719	319097	296968	289908	299357	292410	313058	324655	281921	277398	341794	319653	310646	312172	452095	442770	308380	304434	294725	286532	294086	294361
6-Phospho-2-dehydro-D-gluconate	42334	42972	43478	44586	25315	25619	46820	50281	42831	42096	26554	26414	30848	33061	33285	34763	39254	41157	37314	36146	22326	19917	56731	59634	31602	34893	29581	29599	46317	47286	37385	36707	50069	50885	38716	40602	32719	32405	50248	55079	42687	44581	40788	37329	38853	38489	50718	52335	23171	24034	28433	31588	55266	61029	22091	21566	57945	55990	231288	216887	219711	228037	342633	346599	220857	216357	212159	209098	163463	165953	333148	330231	161908	162117	185774	187902	219714	214921	196489	205934	274983	281361	262807	264402	158142	157451	353636	353538	317611	321040	289766	292065	180064	182247	369821	364584	323378	336399	204768	201828	307840	294993	239228	237480	230122	228842	171490	171448	216133	212149	224449	219550	285830	269601	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
438.0161@1.1884522	45347	41801	47725	50682	25995	25817	44992	47243	40490	39480	35085	34983	41912	41675	51854	47813	47332	42443	41459	40442	30658	28349	62640	67155	41645	47715	51251	50307	60963	61583	24867	27117	37408	36904	28399	25873	29513	31897	39028	41178	41985	42172	20516	22324	34117	36731	39640	43584	8787	10225	12489	13195	54021	49979	8468	9938	63181	69361	184990	185865	231272	234602	308111	294138	197981	196100	227290	234963	190653	190547	321978	318790	108063	106835	175223	170426	163820	159095	218175	208973	261353	247401	201284	206080	183806	182157	266997	266515	256813	265999	267200	267821	128161	150788	282704	286740	233023	232518	174007	174395	249062	248490	224149	227397	223108	221048	163023	160753	129388	132455	165867	159645	239110	248601	1	1	87999	88154	43473	42691	76985	81399	24217	24354	79247	82682	95516	91883	88697	97945	33537	32783	84592	86176	11106	10694	40587	40564	82305	80393	101106	104088	72933	73842	15112	15427	87310	85185	41850	39509	103236	101134	33948	33005	30637	28230	25094	24487	73065	72340	88193	95410	21336	21078	25336	25564	7468	9472	1	1	1	1	12647	11546	12326	11086	9407	9441	18741	19134	12661	12358	13384	11503	12337	11358	23123	26012	11976	11755	17651	17274	9788	9686	21612	19706	20380	19559	22037	25572	12336	12699	1	1	1	1	1	1	11384	9140
C6 H4 N O2 S3 nullnullnull 2.830447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	155528	354987	1	1	152847	266109	256513	1	1	1	1	1	1	1	153175	312071	373881	204295	88852	667014	163861	767624	161180	215136	165848	112199	211879	376435	473019	227621	312349	361531	1	293805	396403	184059	228222	409684	129439	415779	649233	118155	198222	237453	314212	136904	63489	92281	74188	334486	157615	130918	1	553202	287793	515874	315271	460597	513889	453516	396223	530699	191982	99753	394564	329958	373732	370449	143458	172310	414631	426847	164425	251213	326183	532771	651871	790249	635449	464443	398443	425749	456228	609146	434324	524616	198968	447264	301001	515536	506645	513174	610730	588753	529194	510773	521436	407284	517882	361795	446665	170231	379490	413206	244929	180254	435319	161314	226784	202049	185083	520876	254253	253963	354748	265626	328632	196782	286236	1365675	157078	253374	138043	238348	308181	150512	155747	146651	252776	118784	150402	128433	107485	289599	88829	337412	158251	61332	187376	164322	167712	426954	127496	120946	322819	109068	342551	235685	348603	174660
3''-Hydroxy-geranylhydroquinone nullnullnull 8.994868	79022	101725	40696	36351	37130	30669	29850	25995	41000	44350	61030	57450	85308	103474	97163	103687	100015	160060	68805	71082	159757	61137	37994	32062	36960	26394	27868	25830	29679	30977	31601	32870	54769	39500	25140	20690	41267	34385	21157	32165	51574	62621	26173	33231	45709	48289	45861	29776	1	1	42678	29557	31654	55366	1	1	53350	52162	18073	12540	37932	38683	15453	14295	17478	15092	1	1	22631	34682	20004	22694	42941	32753	21016	24611	18847	23440	76929	79473	114285	105099	105853	90781	45232	32081	23609	19668	43075	39713	23538	26369	44018	30563	69899	56411	85360	90417	47898	42583	101292	87967	45510	46089	64017	55653	24172	16669	90229	99394	49242	49121	82590	71550	23376	28400	25779	34141	44167	59923	64968	20944	26532	51135	61705	23967	32080	15369	26764	30369	32033	16773	18793	34607	24574	29391	27328	47762	17317	14976	13564	13586	14385	27076	19860	25153	15340	10203	1	1	29990	39306	24682	10265	97927	58910	38348	11021	22695	40557	11172	10438	17438	28696	1	66259	30584	48645	1	1	1	1	43566	20554	118966	69969	32652	40270	28130	30887	1	1	1	1	22659	26823	48458	33477	80875	43114	11875	8404	12374	15071	53430	22139	24532	16681	1	1	144952	24659	1	1	21801	7884	1	60620	26576	32267
553.8654@0.84027386	231377	230304	240905	241088	156001	159916	258920	260677	235147	233213	169605	170948	192128	193444	200830	195323	228884	230700	207081	204751	148422	143006	290129	297033	208434	210513	208875	204329	276302	289374	37266	32617	37500	37838	30889	30622	38896	32531	45412	42482	33439	33548	38417	34878	42947	28341	37445	41464	23248	29490	29805	29894	43468	44566	32620	28781	43398	38822	98736	98604	103642	105110	183650	180168	79992	76582	81856	86805	71800	70645	151332	154245	161968	163502	100902	106086	87056	36053	38957	46059	90555	103228	114157	133062	76202	75623	165790	176953	209575	225539	228367	230748	297219	310515	303043	294436	281309	281599	139406	141279	291934	278371	191714	184323	177484	186091	85859	84987	174585	173567	153551	149800	270739	201753	17371	20524	14778	18163	33501	29816	21817	15688	10539	12056	22619	22073	22147	19889	25251	25520	20437	17899	23650	24706	21120	23866	20543	17630	19052	24022	25607	26745	18963	21374	15247	14181	19562	18150	11495	10097	20668	20536	14791	16045	41371	45868	8915	13588	52559	52542	23243	26403	14778	12138	36562	37798	23558	26520	35387	34287	11111	13823	75533	73946	32806	30539	26920	29838	28132	30927	46705	46156	16116	17317	87476	85709	124814	125479	34730	35818	93286	101538	93978	98218	26066	27790	93695	96387	28666	25614	80253	76747	15927	13591	71878	67193	116134	120477	76707	75225
> limit nullnullnull 0.9889994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	83703	85522	57288	56248	148428	136063	25095	27189	38718	42031	17790	16343	117767	123791	33746	33126	43749	42244	37835	38078	62601	67171	61047	58367	119400	125723	28259	25895	317625	322044	253738	254529	85649	86064	20033	25856	155714	155186	158055	148262	72023	76726	213747	211005	46971	51777	65876	63575	13869	13387	119886	127864	89753	94146	69104	82936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
151.99@0.806247	74801	68644	58982	72562	42879	41110	75043	68269	60509	63456	47579	44768	52418	54950	63051	60076	90070	68292	64451	60566	46779	37880	83241	84787	56810	52508	57831	53698	73039	76433	35554	15253	30370	17958	12128	12167	32054	14410	15411	25082	6925	31399	28903	15190	10312	12740	13624	14070	15182	9604	30589	29351	18035	8418	25109	23029	37271	12559	164261	162292	124834	112222	144717	133947	129928	139442	162475	153462	119201	128274	131270	129407	135209	137146	208385	199846	183030	130332	73625	94226	44590	39051	115725	139119	141914	129936	125653	123073	111981	111474	149305	148169	146702	143977	199900	202028	175841	178649	228090	218992	192677	178552	191505	194384	218982	213737	264940	269117	158356	166972	215926	199580	278000	229271	165012	180780	209263	209302	200163	204560	229572	238696	231336	225240	109894	208026	185316	185706	142149	150558	194157	197487	145349	150126	158145	155226	228512	236924	189380	189671	222884	221225	176006	168654	223104	238362	189463	189340	239113	230811	197218	198170	188418	202849	67324	61770	213408	206849	191497	177876	137981	150732	169296	169942	65111	59797	74353	72500	74160	83953	125004	124855	71918	83573	104251	91241	79032	92328	96126	91457	89660	92784	94980	96625	81877	71666	108025	103982	103048	100529	67779	67792	129111	135538	80794	80192	96782	92981	86904	85194	115750	102576	130358	134527	87723	84104	77338	82854	73845	72585
332.1213@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32324	30259	31435	25206	128551	121572	11973	11861	27731	27463	67128	67593	290520	296210	14070	16282	181152	176708	11901	22278	44963	45439	270494	244281	186150	174591	75610	75674	288184	288698	176820	198200	279522	276916	39052	47685	269999	278380	229968	263070	16913	18262	136769	140298	24287	27624	42067	42290	46288	41647	46653	41665	35367	35500	39598	49293	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
196.0827@1.0699998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10084	9646	19374	21062	180704	175352	14197	15138	29833	31547	23203	22709	320424	319648	13824	11746	21811	20518	14989	16026	41706	50908	207516	210825	187404	193186	43925	47536	103823	101455	178195	184933	272896	268027	11306	23114	281195	283248	288091	298836	9484	9673	143226	139143	68102	66669	179960	172940	19028	17595	103378	106180	9302	9748	80213	79754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H60 N3 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7376	6835	7588	6881	1	6805	1	1	1	1	7902	8631	1	1	1	1	1	7414	1	1	1	1	1	1	6993	6891	9793	9429	7012	7084	7766	7945	7663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41616	39147	42362	43203	40716	40852	45178	42135	31400	38906	40668	41946	41105	41947	37454	39730	41205	42977	43717	43566	34692	45536	43918	46312	43933	52026	53925	50608	49505	47644	55042	49618	47057	52553	56667	55082	47760	50956	54861	54748	348627	59212	19090	21187	21414	21328	17442	18271	23080	23359	23569	21847	17857	21532	20965	20929	21004	19860	20833	21567	20045	18757	21110	17224	17773	20383	20721	19070	21463	19733	17871	19395	22868	22383	20107	20007	23003	20137	22332	19097	20770	21348	17808	18985	22450	21211	20261	19599	20605	18569	19180	20170	64376	61466	60852	65667	58394	61146	65866	58278	32297	33589	58587	62340	63095	59909	60366	52257	48973	49482	43262	46757	41344	38189	35248	34105	44379	43885	42041	41859	38720	39036	40445	44134	39128	41027	41447	45366	33323	34447	39033	39681	44192	41847	40270	42088	30413	29321
C35 H57 N10 O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20397	18740	29274	31533	11157	1	21444	20281	1	1	16878	12687	31317	19514	21906	22888	25543	24723	25795	26122	101163	106416	347330	129255	58926	37135	38396	34269	1	1	17258	19351	23525	16412	13828	17337	45836	20750	50290	36125	56706	44849	66132	47107	28756	27690	145924	41567	13553	13363	77940	53780	34777	33417	62762	32243	16410	21857	30199	29256	20439	20014	17013	17969	1	1	13666	16135	25251	22090	24537	31938	19895	24536	23527	28840	23453	21557	21717	14456	20326	20557	21135	25099	15592	30666	14317	12969	26979	28136	14856	13164	23934	25054	19991	18759	39778	40189	15657	14073	29822	41625	22257	19330	25114	26406	19177	21550	21250	17851	24386	19802	14718	12452	22844	16144	40466	35155	45848	39153	1	1	1	1	1	1	28260	18451	26143	19182	19143	18430	15009	13412	1	1	17268	15212	23994	12806	1	1	82545	15479	1	10577	18896	13964	1	12266	20471	13878
246.0381@0.934999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	275212	268577	213795	207132	251443	245683	277049	270205	297802	292779	223968	219747	233375	236979	174844	167636	322028	312186	332127	327387	191491	204739	67071	63424	181323	188459	200184	200591	144802	144897	142940	149060	190866	192239	121219	128220	225358	226765	259815	259924	255474	259167	226891	226061	235209	233448	264179	274584	339177	344875	156665	149611	258700	254917	338260	333005	265380	274335	314921	317812	310055	331184	335684	334906	292365	282843	282645	276968	285864	274616	214861	214209	298622	308249	224666	218739	245688	244889	322448	325373	279649	277411	335428	334948	245549	242184	353224	354434	289889	279719	360632	358526	340220	342211	315737	309476	179692	181603	281938	281006	353920	350591	254542	255863	263380	261391	183980	179942	201411	202237	182165	181398	265415	262004	186648	186658	222515	227982	176752	174054	209781	191213	230373	222687	211419	215298	200157	201137	221970	223521	243856	243547	159919	153833	280901	280868	207574	204426	237182	236703	216602	213332	209445	218183	158020	156512	203358	206916	134325	133331	169091	172097
191.936@0.7580715	1	1	1	1	1	1	1	1	174119	1	1	1	1	1	1	1	139484	1	1	1	1	1	1	125637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	147014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87422	77126	75304	53049	113879	84064	75361	114632	55619	164336	96353	102978	99198	153351	1	1	1	1	1	1	1	65614	1	1	1	1	1	1	1	1	1	1	1	1	415091	187031	116125	165756	175886	1	169173	78276	111259	108227	102649	84322	126905	71963	124888	91543	137261	128171	68475	1	22226	1	45361	1	1	1	1	1	1	1	1	1	60637	50973	1	1	1	1	1	1	44970	1	1	150767	1	1	46859	1	1	47352	1	1	1	122110	1	1	1	1	1	1	47138	1	1	1	149033	1	1	1	1	1	1	1	1	1	1	1	150864	1	1	1	1	1	171820	1	1	1	1	1	1	1	1	1	69891	153897	185229	1	1	1	1	194941	1	1	1	183815	1	185700	1	1	1	1	184143	1	1	160000	1	117346	168116	1
313.1022@2.4800012	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32146	32274	1	1	152171	153715	46894	48857	1	1	147801	150006	660221	665067	1	1	87065	90991	1	1	101783	113574	594164	611814	214282	183202	1	136702	204698	206972	102743	105125	313980	313460	1	104251	332535	321159	222851	222103	40987	42265	90117	91088	110804	117040	119136	119835	80918	86932	47479	45986	29090	30101	1	143744	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C6 H12 N O9	150843	158971	144096	150154	157897	145989	146094	145686	161130	147308	147504	139974	158948	156457	152326	152440	151773	154059	150988	152936	142372	143877	156324	156756	153178	161083	157412	160012	153391	159503	134306	131357	147369	150556	126842	131248	127747	120044	137605	137644	165008	165735	126337	124692	152457	155212	150301	152303	107647	113656	100016	102222	166629	162554	80564	78415	212782	216139	250358	252424	277438	282694	203506	213753	289558	282273	274600	279103	234728	230419	155572	155444	224900	220487	253734	252172	265366	234608	220636	233641	173714	172899	198028	209606	207920	209724	126920	120372	153563	155910	163422	158033	199879	203952	183391	185083	214900	208988	299809	308773	242101	230101	294362	295567	291686	293037	235916	235830	284490	292700	309635	297961	343366	320527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38457	37173	34511	35682	60883	58269	22388	24092	24805	22824	66660	70815	76396	73515	43834	44580	85027	80022	31906	29686	165642	169519	29874	35992	55613	58419	227840	228991	38093	41179	37542	39064	40124	41770	39887	40710	171478	175265	20804	21135	151653	152431	230581	238407	47479	45629
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2E,6E,8E,10E-dodecatetraenoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18276	18632	18455	17715	1	16371	1	14152	18732	19285	16004	1	1	17934	24464	19050	19734	18056	16226	22975	18024	14877	16901	19689	19083	15803	1	18684	14960	15412	15984	20523	17577	12428	23401	23007	20199	26442	25412	21103	27208	24677	25770	24075	22408	23399	23065	22567	22296	32381	24460	10956	27275	2733999	29573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10771	1	1	1	1	1	1	1	1	1	1	12167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11600	1	1	1	1	1	1	8076	1	1	1	1	1	1	1	1	1	12081	1	1	1	1	9364	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10314	1	1	1
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C23 H4 N O25 S	120755	119245	116051	110543	202085	199820	94859	93172	119016	120325	181804	182466	159631	153973	146802	142440	103807	113355	135031	133196	203405	213876	83899	78365	154066	151428	146995	143762	84287	94007	445105	445722	436047	449229	477536	476720	477518	479918	432658	427603	458940	440912	476024	480720	463883	457525	432786	438065	513285	499884	517697	503262	448488	452454	546982	536941	444641	444481	87278	87789	96754	96566	27956	27864	133819	131626	130042	128302	124148	125027	8624	7455	208716	209817	251037	249442	150194	51836	25599	31220	9375	10096	21577	25482	111102	129038	6500	5856	15630	15394	14890	16202	71656	67898	20233	20922	38706	36870	229713	230340	55627	53585	146015	145393	141466	148257	274703	274428	145534	147531	174990	180324	189979	153974	290659	281446	303706	292839	262560	261571	268167	273263	324873	330811	275156	275648	284207	282391	272355	269739	285892	283414	267984	268402	272880	272967	278818	282949	276690	271659	271833	266216	274766	278639	302472	298762	298857	294969	322706	315030	287750	281727	302841	296245	228218	225525	307010	310153	207443	210621	265723	258064	288576	301843	295947	293813	315693	316985	287106	286395	390925	388481	205829	211644	321173	311952	320204	325647	359316	356799	309866	322709	393669	385129	245078	245432	169576	169068	344146	345229	221107	224799	202150	212506	362288	352087	210364	215856	356625	352073	249726	259582	421386	408346	268343	272991	213380	211067	251936	250447
C11 H12 N6 O11 nullnullnull 2.666395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75629	77147	39418	39795	1	1	29596	1	27485	27698	1	1	157837	1	1	1	33712	33019	52618	44451	31389	34034	95177	97211	177599	172626	14754	1	185067	180253	123424	126595	130225	134863	1	1	113060	115457	217233	213892	43347	43786	97749	103991	48756	47497	52451	53916	1	1	129228	134636	95386	92628	68095	62790	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23120	23406	1	1	1	1	1	1	31295	33150	61454	58724	1	1	27667	29495	43577	47895	1	1	36938	31224	1	1	37905	33743	1	1	28409	29026	39428	40915	40153	42153
C8 H10 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143514	145226	88338	86575	552788	546923	146547	142637	116113	118905	66647	66969	309999	317084	49642	44387	79909	76494	68022	79112	107649	117120	297938	151465	310690	322089	65290	57318	732324	742730	454732	467770	311677	307280	1	45728	490059	492908	335758	343196	116062	108833	484944	489376	98414	95763	103301	86014	71830	74863	100312	102776	89389	82557	105264	125529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3''-Hydroxy-geranylhydroquinone nullnullnull 9.446629	199006	170749	106297	114599	83446	75876	85154	82189	109488	105678	78753	96732	177462	139282	191385	130424	465544	149343	182683	140209	118817	144709	83625	87361	91073	80565	73506	66383	74364	61696	47008	40457	63399	60300	53739	52438	75392	67944	67441	70484	81035	82863	58845	64952	20867	18233	122289	83663	10487	15303	108101	100982	97722	89656	18085	17241	58793	58812	60947	55128	108040	119637	60702	52470	79412	77689	30617	31315	89466	82880	65058	59152	96384	108884	82551	88176	75462	65128	110496	116511	233297	142249	137587	115416	122724	90824	30222	34715	54440	55171	53607	46689	97548	96001	109226	67444	106466	88201	89508	90687	111811	92776	89902	74451	121682	89973	57054	54793	158984	143629	113630	113944	159241	131396	55395	53548	69113	74853	72877	67759	65187	58139	56063	53344	40592	36593	35311	31947	44347	50023	41130	33344	49818	45619	52004	53304	75141	83160	24509	22027	24929	21768	23009	27771	52134	50361	31445	27722	19620	17609	47344	51225	28644	26646	112444	114531	37036	32411	30633	42364	28048	27965	46910	55379	36503	41636	36605	35830	13352	12495	13440	9974	48142	50501	102154	81520	69427	55565	42553	38805	24568	26110	30277	26885	41881	41410	52529	51364	73510	71920	25392	17214	26787	25894	48477	50028	40413	31548	32982	33835	74964	30788	1	1	37187	21013	34516	71945	33548	41696
C35 H55 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25467	16526	28553	30187	75965	11780	45639	37537	1	1	53657	28987	85367	27702	25670	15283	21191	12761	17328	15101	200015	158450	686985	322589	91858	31737	44657	30027	1	1	1	1	41519	1	1	1	102951	25522	143889	22765	58871	30492	122758	106276	21888	14975	402153	43206	1	1	179910	82454	16098	17946	131755	25403	41902	42994	49701	50627	65321	55905	42894	44721	26425	27014	59673	60212	66603	67658	75346	98348	54377	53556	95283	104681	51466	44756	35151	30687	65828	82463	90285	104372	67480	80216	28094	28877	70954	69854	31811	28251	57265	53183	48376	46925	97296	80300	33680	28842	106851	95737	99333	99392	39647	40963	1	1	1	1	43531	30126	20426	18451	1	1	122133	78591	1	1	1	1	1	1	1	1	1	1	26706	1	1	1	1	1	1	1	1	1	1	1	1	1	97409	1	11489	1	1	1	1	71521	1	1
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C16 H26 O3 S	142665	359639	247079	814819	140625	359874	80010	133230	197790	131069	127395	206993	163595	137112	293709	298069	219709	199877	102297	159065	363682	183862	75275	202353	92498	100071	81923	152041	342979	183678	155569	144564	79257	89826	156130	176993	246809	307786	142601	255324	252492	299581	140876	143581	149649	142687	208260	303592	203843	148629	150233	183609	305762	173045	237504	234797	178658	272305	23471	18119	21542	22949	29001	26955	30345	24968	25310	22358	19943	24719	18234	27990	28433	26921	15489	14488	1	12881	17070	13424	19748	24809	21769	14119	17496	11465	1	1	1	1	13673	1	19209	16470	14163	15533	21105	19889	21508	20651	17499	14578	18141	19553	17210	20183	21761	19770	19905	21384	14239	16506	292252	17964	24724	25836	23683	27837	28351	30525	27404	25886	19046	19651	21295	23500	27707	14776	19688	19151	17321	14348	19841	25971	24751	27735	16583	1	23136	27869	23580	23727	21773	22116	28081	23007	21129	21878	24065	18290	20821	20801	21299	23135	20662	25407	30721	26812	26493	19178	27640	20293	15471	20078	128554	101408	94805	107794	96595	176594	115759	130911	96645	86192	111665	125696	97749	109514	56991	105582	92077	141189	59779	92805	82577	59998	90614	70324	81353	107000	124848	98910	53534	89320	44121	88599	207567	83399	76807	78478	146151	144752	106306	124548	100185	135661	116098	95468	151344	63437
C17 H28 O3 S nullnullnull 10.5040245	533967	946836	989712	475234	998171	936883	967567	383602	930053	526149	476346	927049	568198	1115922	482175	546275	1044358	511560	509505	883136	922222	902219	508801	513996	1052502	1268756	540981	588496	888562	588815	908044	937063	1009499	953811	1218287	968593	978511	1182027	650611	1006252	922594	1058692	1038108	1176606	573863	617737	1305757	708268	632254	1003111	603764	647044	1059287	1058226	710186	987939	672939	1359630	90641	112911	112196	115067	103801	106689	104576	87585	103361	113556	96219	114658	87427	111572	169532	162200	60635	68195	46574	48604	62157	71096	66989	53264	106467	96041	56590	67264	24123	32270	39351	38450	33692	35535	49934	51726	52014	58320	54204	70932	79845	84914	51294	57761	54839	57117	68610	60169	75900	65139	69767	83060	62187	59825	1108426	58936	76583	99418	116251	110264	92570	103816	132805	119701	107266	80839	70669	58749	69848	88799	78387	86344	87293	86268	118511	68474	93746	76606	96395	71920	108979	70502	69205	75206	77274	113770	71642	89721	158123	157573	86167	76857	95337	78626	86694	108759	130544	95863	205016	141775	111569	65335	123725	89248	85565	110743	431282	220542	358161	511814	454107	470609	545256	464452	251988	390551	238328	246418	358138	255168	376144	402405	413477	484285	570341	237697	402253	339039	244376	251840	233587	265652	242616	364920	245685	243498	251113	362422	251103	536686	404522	219666	418981	402929	407856	278611	252164	442464	405128	488122	394992	244273
558.1433@1.562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40300	40465	18698	20223	44233	46658	1	1	11498	11423	1	1	163778	170551	28279	25321	1	1	24908	23025	1	1	70524	60479	230593	229959	1	1	266551	258614	55978	60172	62964	64875	1	7204	112659	106613	277687	283480	14263	13833	86273	81242	19656	20837	28058	26255	1	1	152947	154981	83953	85676	26018	38121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
653.3892@12.104992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39611	1	1	1	1	1	21918	1	68382	1	1	1	1	1	1	1	56416	48494	281250	179954	41260	1	16458	1	1	1	1	1	20837	1	1	1	85999	1	45454	1	1	1	51609	30123	1	1	61797	1	1	1	62271	23732	1	1	17349	1	31545	36765	55141	41575	20592	25481	45761	39560	17588	23781	52917	56972	60766	73795	38309	76125	39728	45169	70595	75114	59578	51000	37805	30069	60979	58524	54942	87548	58767	53010	33302	22310	54833	66877	18905	20847	24411	49651	35351	31686	28571	35197	27559	25548	19514	45382	33037	76594	35722	29751	13085	8749	12868	1	1	1	1	1	11803	1	55099	66433	1	1	1	1	33819	21845	1	1	9616	1	47850	1	1	1	1	1	1	1	1	1	15405	1	1	1	65191	1	1	1	14438	1	32152	109248	10250	1
C6 H4 N O2 S3 null 1.1355928	1	1	1	1	1	1	1	1	1	1	16199	1	8968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41133	1	97228	1	1	1	62658	1	1	1	76066	81814	86869	1	1	92976	1	59220	1	115764	236033	119697	56920	1	105899	1	1	49709	118387	123921	112596	140462	1	1	132000	131046	110021	104650	100351	144591	1	1	261403	468004	140826	106325	93257	82540	1	74688	41557	37838	1	1	67466	1	11058	9929	73189	1	28532	23129	731704	1	23271	25379	90029	35897	55568	62420	1	1	74356	1	55792	59249	85394	1	1	62738	77309	173598	97696	94503	99698	79830	39747	35949	1	51852	34678	32649	1	38210	30379	31664	53268	44991	35690	34470	39573	75006	1	38686	112953	109680	53507	89977	39828	1	33646	36589	46229	50673	1	102990	54083	58156	46899	81858	45155	41878	63700	35643	87722	1	1	1	49021	45730	35463	41501	1	48175	72433	1	60003	1	1	1	111401	114883	1	55827	49348	47710	78602	115244	1	1	1	1	60606	50774	44656	1	1	1	1	1	68389	56056	78491	55561	1	120131	71939	74939	113583	1	39505	136247	1	213355	1	63667	58593	62643	100499	52948
L-Tyrosine methyl ester nullnullnull 10.050802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1154537	1160112	1133256	1164754	1152695	1155959	1187138	1185985	1201217	1179493	1175971	1206679	1203586	1176356	215679	205075	191540	197032	197243	210457	210153	208439	215415	203684	221765	220124	199704	216118	219770	224675	219223	247736	242432	241908	380745	542734	573300	596770	610186	607011	596759	635030	635594	648381	654248	651193	686245	676004	678995	666047	685447	699434	673149	673141	3.39E+07	854014	545338	547731	524412	539130	547162	566263	543284	571151	569058	577790	573204	591349	585033	586501	606194	589207	596455	598301	630440	625349	644130	628472	648764	634018	644817	644676	675707	691500	659123	661247	688956	674352	692298	684832	677030	685764	716263	715651	715518	720055	751438	768067	744310	769953	767746	783140	800079	802299	777576	778456	826104	834157	830093	829813	855040	882732	843235	866189	836030	854509	878995	883331	871349	864536	1135910	1192473	1169715	1196750	1229232	1189273	1190536	1200498	1196500	1236101	1220695	1184894	1193234	1185263	1214760	1200315	1179260	1174019	1201774	1181676	1183309	1208510	1249502	1210673	1214701	1201348	1198676	1214111	1244052	1238422	1228872	1225183
C5 H4 N4 O	71439	52757	64840	70794	123016	190017	126713	70939	88356	88964	93071	92463	124895	113870	54930	60372	61008	33863	104087	100253	30160	28179	38189	38429	92641	84301	58707	54373	90021	49458	31729	27177	30272	34621	22266	20885	15178	14495	17935	18396	68774	65776	11597	13879	29601	29517	23673	22284	16707	14920	17270	17523	21219	26639	11841	7975	29412	35584	127640	128026	74914	78942	95245	95434	54898	53453	54263	51079	59999	66131	199961	202825	107499	102161	99345	93920	93741	81994	87728	93133	231479	205218	332587	323404	63740	57991	258888	270006	209979	187241	237513	243563	81182	98769	183279	180687	352827	365979	78100	74956	113988	125176	107200	103693	99669	99119	42391	45382	287102	303775	172688	172595	118445	143329	156098	191308	43227	57731	139748	112331	83026	83540	77763	72382	108611	110003	75136	77468	58683	53361	128281	132588	88194	92650	305188	308820	181022	155234	86453	85984	72043	74749	93935	87543	192640	191351	59570	59241	82359	89449	52897	42156	103984	101579	156888	154725	46832	82662	153006	158718	51462	59355	115863	123341	503589	496211	714889	712859	600514	594288	455308	441635	903996	925786	729975	712502	1118578	1096017	608769	606110	788475	779183	441239	445423	1442062	1482493	1249085	1226079	726414	704875	1475667	1452390	1329746	1375940	557346	546319	973543	967939	489889	493608	1315528	1300801	530617	531079	1247798	1271611	1867998	1912885	985234	966530
C9 H4 N6 O4	35463	34431	33547	30913	22724	20903	32153	29914	29604	31958	19108	24421	23166	21940	34853	22740	37892	37067	26442	23779	26752	28718	28535	33621	19956	19917	38246	33220	39894	38291	24180	24426	23602	28892	55938	62317	57722	53969	31660	31223	35936	40932	63703	64396	21218	20098	81455	73959	21718	21292	55657	56838	81391	14990	12210	15345	78630	77646	336489	332979	52908	57345	57898	57766	43567	42816	33338	34735	196263	197674	48674	57671	177688	168742	87337	90544	126266	60411	145723	148924	383467	367112	226616	211181	194980	198089	516938	508320	391799	406997	70928	75811	152554	176483	128015	116945	145789	156067	35521	32203	121118	131297	169357	178529	150728	140045	129772	135475	232082	238542	251316	250688	278045	206055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Asp-Phe methyl ester	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7480	31097	30883	1	1	1	1	33121	32212	87776	89858	8286	9401	1	1	9002	8078	19069	18272	89879	94261	71262	68332	57511	60044	155557	156886	106118	108970	27401	30904	1	1	158099	154929	101450	105980	13778	12144	267005	254385	1	7969	13221	10165	49798	58372	9376	10301	18504	15597	22433	12998	1	1	1	1	1	1	1	1	1	1	1	1	12124	14563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11519	14766	1	1	20071	17436	1	1	18562	18180	1	1	11370	13587	1	1	1	1	19187	18180	1	1	1	1	1	1	1	1	15373	20710	1	1	1	1	1	1	1	1	1	1	1	1	13677	12993	1	1	1	1	11453	10807	1	1	1	10136	1	1	13800	13359	1	1	1	1	1	1	9670	1
(S)-3-(Imidazol-5-yl)lactate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80152	71990	67498	60646	64800	55969	42847	43857	34900	34040	60198	59488	103632	111342	25466	25171	31716	36818	36504	31647	39391	40375	107964	80427	87735	86644	59677	63904	140463	126137	84635	84102	97750	90617	52746	75087	102380	104735	104735	109299	45542	44751	86956	90893	54668	48954	53780	54960	37766	38630	64503	63334	81403	77765	85948	71942	1	1	1	1	1	1	19940	21735	1	1	19890	16885	1	1	26190	21558	1	1	1	6834	1	1	1	1	1	1	1	1	17496	21780	1	1	1	1	1	1	26856	26466	1	1	1	1	1	1	1	1	50931	47068	1	1	122340	111787	180655	184334	31808	27969	21749	18646	28652	26169	67059	65695	46761	46527	359930	355582	167188	166103	153639	154567	118851	105919	33504	36794	220370	216277	160664	158844	38289	34462	25887	30103	33069	28642	26843	26638	108179	113962	13946	11980	91000	93397	166780	173544	36529	35689
156.0787@5.104239	62814	83294	31052	36308	21662	21628	30936	39221	38528	28313	28240	39009	43053	61114	61504	72037	40660	38586	47821	45549	34645	45641	32067	41690	26735	30412	34356	22145	25010	19737	29999	28464	29592	32121	25042	21645	27411	33102	20524	24222	44758	47987	24917	26131	28166	29632	34171	32070	1	1	16553	15259	44398	30425	1	14587	49544	48392	19990	19251	38507	41407	14934	14768	27135	28324	10237	12585	18254	27367	27667	28490	29350	30436	31002	26329	33551	30188	65094	56999	51091	69645	76998	78987	45056	38276	26273	27089	28364	34033	25138	23498	30123	31638	40411	40701	70704	74908	60028	55389	61305	67009	39891	38544	55370	50138	20319	19346	71470	68451	32904	37438	56670	42181	59830	65128	56681	55940	62456	56221	52842	48186	33027	34228	43683	46773	38466	39787	43330	46278	38276	39309	53605	61420	74630	79510	71464	74116	38929	33248	44229	34970	33769	28891	54516	49425	29306	38909	27927	22243	55345	59119	46235	51402	98406	105676	32207	30140	74939	75817	36293	36827	44106	47242	14345	9566	16340	31280	35296	30591	18414	21371	33914	33151	21154	14814	46061	54243	24915	1	13280	1	11298	31135	40661	34566	67910	64080	20654	21400	23365	18314	26838	25555	12662	16254	28287	30712	5940	8172	28069	24037	10963	27719	15813	14853	1	1	37022	33428
> limit nullnullnull 7.669425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32725	65660	144832	60777	116803	34706	367688	384584	74125	27531	1	1	90040	1	29719	304593	1	33395	26669	30317	1	183971	20390	94109	92348	113373	1	1	135874	20288	59802	169786	14390	121893	1	1	139544	50092	141389	32931	199874	204488	190753	166455	139517	180003	95066	1	15027	1	141054	1	102780	160738	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
485.8771@0.84026563	193043	192628	202043	213165	131531	119627	220289	223545	188313	193003	138660	137796	147735	155804	166677	166074	188370	184081	171695	174690	109191	108837	242567	246347	158108	163899	164079	160872	225759	232420	39528	37926	46170	35980	38154	36916	34216	41921	50404	44118	44774	40632	40890	36900	37410	38994	41054	43713	35745	26671	30957	31912	48519	45661	41701	32787	44140	45994	84870	84646	87554	91328	174603	170617	72120	70007	71085	72088	61667	53853	175271	169022	120044	119206	74329	83793	71255	40992	39036	47301	94164	108821	111992	128649	53188	52515	202047	215556	227973	236007	237615	243290	256289	257604	300439	292203	263879	248795	101853	101294	251871	257316	146878	149419	139665	147370	64565	58425	145884	140515	116547	109716	212913	157309	11368	14961	10923	9519	23216	24029	12460	13729	6723	7779	11876	16422	12442	12755	19224	17870	14095	11044	19672	19436	14042	13153	14393	14633	13071	16471	17617	15181	15313	13857	8761	8551	11171	14053	7464	9533	13824	15240	11298	7528	30121	29142	8828	6977	39175	36041	14902	14356	6979	6784	22805	21043	18276	19836	23321	24763	9415	6711	49703	48660	23788	20984	16951	16071	20716	18492	30606	32723	13544	13138	60044	59229	88124	91017	22663	26833	66902	67359	68759	73482	16907	19191	67114	65886	19121	18025	55171	54336	10042	12240	43411	46451	84215	84250	54040	52505
136.0294@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	152180	15772	1482557	1382092	1585058	1450609	1422086	1369410	17115	1342472	11689	6119	1548796	1499480	1412183	1453320	169274	168206	196636	170380	959984	1017910	931286	964803	1036667	1161663	1150366	1291942	1211216	1348941	1376443	1399186	1680762	1535923	1566792	1792999	1781890	1873464	1879522	1966103	1735076	1754164	1887052	1835673	1889264	1883198	1930010	1919317	13079	11568	1521173	1561488	1553556	1508183	2105808	1742547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H4 O6 S	43563	46919	49588	51471	51342	51873	50804	44339	59974	59377	49939	53924	48684	52333	38257	40040	63800	57569	55461	55519	49786	52232	36125	50316	56776	63894	47100	51674	49554	46364	64842	65536	66710	65874	67699	70104	66488	65958	61421	65819	66056	63829	54886	52514	46775	47874	49802	53361	49981	57240	31924	31661	58552	57544	61413	62211	70523	77190	49944	53730	49695	49084	56632	51800	58500	57688	55194	53327	63933	56772	52474	53305	41697	47299	59290	61621	64871	72564	49926	55946	46934	35469	47433	47007	52178	52742	45754	44758	45552	47462	47831	49286	30197	38043	54304	57609	53567	60604	53900	58080	57241	53802	52769	50966	54151	56076	61294	61493	47556	46005	68338	68492	70954	62982	48873	49850	60541	58721	61808	60255	57299	58746	51409	51810	26102	56407	54817	55792	43312	45432	58383	55632	48103	50654	50312	51574	61111	65263	52655	58527	64645	63689	57913	50242	64619	66962	55859	56523	65611	66452	63327	73340	61242	57923	47449	39458	54015	53876	72269	62744	60010	55139	57589	51427	34927	29514	33629	34492	35032	35314	43492	46529	40566	36867	37787	42450	32945	36958	38824	39545	41095	39835	33815	36724	41316	45183	40356	38501	41448	39438	34996	32225	48271	46950	36556	34086	35956	38478	41242	34455	47987	41652	37011	36165	39426	38649	32187	33139	35532	34901
2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate	29134	19708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	259067	278287	202629	203816	665256	742835	444394	427140	228523	220152	129792	137643	490852	517347	54562	115307	216697	222065	283166	275992	373131	389560	559645	575819	751810	768467	211162	207242	1013348	986297	817201	856661	519002	521495	23124	134298	934580	949985	811590	820172	415916	398700	1081126	1087619	290319	279723	314993	267743	217574	212731	265725	288763	192454	185180	255628	287450	48493	41300	52186	75585	86056	75778	94022	83049	30039	46327	52232	47258	73736	69880	75256	75450	60957	70168	67261	68253	50102	40476	56636	28899	38651	48100	74336	47341	33702	59413	17212	22328	57519	62298	90877	92837	80279	83177	88520	91198	93386	83473	55758	52114	109762	110998	67531	70978	107022	105316	218901	212409	164103	174213	263277	284385	163701	159748	490634	416389	144382	149054	340650	367263	138253	132411	216319	229780	173246	185092	504253	546849	395651	416725	235109	235782	763797	770103	440168	447622	222072	213762	369010	369888	150831	153945	443215	444772	242815	237527	401484	409981	558400	553468	521301	500871
178.1@8.999736	29533	30593	24692	16917	17234	13085	20010	17663	27446	23109	21066	19721	24287	24333	26213	25406	19010	23244	18805	21960	15617	22138	21686	20091	13986	19948	19673	22658	19748	17620	12737	8452	30106	25444	13725	10493	9827	9111	15529	15529	16973	25730	16378	17160	28738	20690	19636	15092	19486	8714	14404	14875	19528	18222	8913	12551	23725	31502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15124	13111	8799	14533	1	12469	20922	16885	26693	25895	25973	23009	11256	15822	14258	10391	15161	16651	1	12140	10409	9468	17293	17546	24387	21292	12013	11378	19932	21445	1	11709	14345	11224	1	1	16629	11881	15865	10740	575264	15628	1	9856	10934	9155	1	14498	12036	11254	12585	11405	9329	10396	9630	10745	9912	12536	12044	10771	14148	1	10547	10294	11020	1	10417	14525	11429	9149	11037	10177	9395	10152	1	11269	1	11872	1	11259	9432	12721	14772	1	1	10496	11476	16061	10813	14899	11766	11117	11471	9972	10552	10567	13556	10099	12755	1	15359	12077	1	1	10048	10053	8921	1	10989	1	9553	1	12738	13684	9368	12943	10704	1	11115	11003	1	10436	1	9340	13849	1	1	9194	1	11029	9403	8681	1	1	9621	10081	12315	11691
228.1725@9.9926605	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11139	1	12545	81057	7890	16255	13987	53235	68318	1	1	1	1	1	1	64576	144289	139985	160305	1	52968	81482	41648	38466	67247	22074	1	1	25234	132065	1	1	1	1	120993	23643	183092	185969	174588	1	1	47462	1	57652	205382	56347	31523	193870	1	191202	1	1	483250	1	93709	1	73234	27954	80824	1	1	30996	89649	1	194447	102225	1	1	1	204078	148298	168373	1	87305	209483	1	1	1	1	1	44362	59447	51798	69314	16851	82525	1	242465	1	210264	1	1	1	1	215770	225091	36569	233735	60189	257416	29684	38866	1	100602	1	1	191002	175174	262787	241658	34371	222169	1	70479	74404	105221	182318	202468	55467	224855	245542	48098	51757	1	26826	70482	1	1	244669	267180	1	89820	238660	1	42012	52095	18913	254169	1	78223	150707	56456	289001	231133	60858	185269	241528	59955	265028	1
221.9955@0.79179984	102050	95958	83519	85393	78501	90463	72537	67679	116576	116464	85835	104794	109430	88266	90801	54213	127079	100691	85597	89744	77597	83110	36223	37648	79779	66508	49725	51632	44209	37972	152971	159016	144906	147305	150175	153934	143758	172904	106901	107102	138357	134959	140433	133771	71390	69239	98689	86104	166236	139386	117481	125338	91782	90075	157246	155714	154842	118340	182889	181546	130475	130434	154806	144311	142405	143012	159216	158993	133320	137710	171860	150639	125773	123327	171396	174760	171055	141294	97981	90368	64587	53293	127713	116893	143454	132354	167859	183338	144320	139105	140549	171537	31234	88055	109628	107341	104282	86427	112071	106755	94951	83171	107156	103047	111968	108369	120631	122045	95829	94366	113608	108704	132564	119798	71374	73613	85253	87836	86864	83062	90496	89961	88589	83747	39781	84193	73540	79290	62860	62192	78724	79834	67724	65071	65719	66936	93690	94526	76248	78154	89610	90580	73968	74786	94799	96149	79260	78134	89865	89035	83966	80992	86521	79888	36789	32093	79304	80459	81355	78504	64604	61286	68685	66955	37731	40765	41720	44546	43439	44903	66685	67441	51056	52939	57275	55592	46005	48551	40475	40358	40035	40061	45619	43280	50199	40647	55931	53480	51427	46894	37514	35375	84692	64473	43509	44498	48554	48685	43192	40741	57753	46771	66143	67157	45368	46924	36983	41938	39751	36697
741.8537@0.83699125	200548	195385	193624	186682	224914	212142	181192	181242	193472	201724	216336	211417	200842	204633	210721	208782	174444	186826	201232	204450	212058	207163	162687	169093	209779	210568	210771	209802	175782	182138	109259	110211	111232	114420	99474	99127	105574	100772	132934	133675	118430	119875	97192	97482	105956	100824	131377	128830	71909	72671	136398	134125	151327	148120	72348	71524	140617	145393	110614	107552	120470	117917	75645	76273	119820	114943	116966	126532	102263	102203	34716	33039	232283	230387	199712	195706	139617	45544	37014	41630	28559	37250	50199	67102	97739	109052	27823	30711	54504	56146	56966	59130	165669	168207	76297	76679	105631	111101	215189	215688	139614	141735	203956	209536	206288	201830	171188	176458	202265	199369	205128	197313	287911	219380	91078	90441	86111	83232	115444	120165	89849	89290	73391	68713	94953	96405	94542	90634	101281	101799	90486	85220	99733	100328	98646	101416	89922	88072	96925	99485	102915	103514	88108	88382	73266	75663	87737	89406	67634	72590	91460	94520	76453	77825	123394	121902	62548	62389	134982	135677	100116	90184	66843	66527	137536	143397	129588	126011	135707	131330	85834	84833	159361	168271	134917	139170	121905	117966	144416	139366	161006	162643	120780	115505	189354	186423	182458	184170	151168	149002	193897	191548	179474	185025	134213	129600	184696	181846	132589	137207	187410	186160	94545	93334	178571	183673	202591	205930	180521	184011
Crotonic acid	129940	121132	50943	58386	40564	29313	41234	31895	67479	70929	35422	38221	71552	72235	93974	88368	45745	50587	77049	70565	44528	47067	71402	62344	14764	27678	43810	47998	33316	30640	40183	34600	53255	63248	110182	107494	48625	52639	96875	93015	61442	65766	43945	46847	50322	54615	61513	62841	33956	28179	22344	25837	115559	123714	24300	27363	89806	95045	147910	137101	98903	105380	270131	20705	229922	238248	123533	119325	93375	90189	183092	15197	90208	88783	128007	129521	155034	171127	222310	223312	16298	13107	255961	260385	148203	154212	9529	45871	16524	20405	17547	18471	65138	66748	28901	26766	274758	280312	171855	169141	18419	21193	130604	126340	124813	117723	131053	139125	17633	111612	90533	88621	13112	17762	58309	60883	53924	52854	65577	64314	57952	58142	40395	44380	63338	59641	51533	56331	63258	70839	52189	49367	67702	68747	35478	72572	53561	62158	57741	66075	53863	52970	58820	50721	46097	43017	66327	64340	92513	91152	61906	63021	84925	91669	76646	77581	58218	60061	83161	79599	60042	65532	88606	95074	137931	133052	113119	112186	116551	115032	79593	91232	161720	180817	101632	99593	160109	166843	98086	100563	122603	115232	105999	110314	173365	175885	125969	132303	109325	114907	287633	269804	152812	155418	110361	117240	132106	127878	110467	108671	156740	153587	87354	90005	150881	144610	205245	222564	172076	177043
190.0434@0.96300036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	83953	78678	79303	74653	49498	48586	41329	40289	38501	37186	16729	19537	53138	52779	58599	56325	72285	79293	61846	54443	77244	89252	44441	42592	50000	54199	27403	25947	61089	55709	87887	89510	49010	51891	26634	36163	54048	54219	77809	77149	106138	105990	112934	112406	71019	62378	71033	71230	17035	19874	168934	168644	98399	100305	86920	73185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
207.98@1.0167425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	217833	205640	138284	128999	50457	84135	145957	145095	181848	178270	124161	71130	23563	75455	177045	148151	255887	230846	267574	323372	110409	115112	102451	58016	147876	139657	113354	176668	74883	39595	1	55876	104028	80061	229937	207100	75902	70515	86263	111297	191618	203777	129935	116545	140154	105557	196509	188559	307617	260882	163262	160914	209241	227362	110644	155930	361285	356044	366978	395677	391377	354713	394132	400034	453490	415372	391619	446579	253213	350104	302277	283891	405969	381264	314111	302787	265148	285253	412309	410159	330386	304871	462692	429599	294082	313481	502229	492819	277861	379760	472506	437329	447181	444133	325924	373522	223708	201422	358140	372339	337009	326054	265567	309549	289600	336641	122355	131195	112003	146596	111790	107571	159097	178835	102533	94891	312741	246525	119105	112927	115649	164761	179375	134973	160230	160346	131762	109149	135422	106006	149832	189021	103064	129297	154464	129911	93348	175492	114815	102499	160918	147990	386867	148031	152402	158524	155497	127018	201104	283579	127106	105172
C10 N S3	201534	190810	212162	204966	209579	214376	192778	187021	209171	198821	219128	211160	217545	219322	182787	179403	208126	205004	197039	197685	193870	188705	177632	171376	197629	206440	187412	186495	177078	180490	216064	209035	230150	220085	223715	219667	220363	219408	223112	221776	220419	212450	181435	206508	193007	189170	212356	199505	190639	201759	139643	141606	221633	209655	228766	214674	229211	238608	195363	190597	204557	210569	150830	161953	242605	234755	234879	241387	220761	212678	98740	96466	136902	125240	202419	202779	239120	296897	264869	268970	137522	130545	164845	156810	214948	210688	63506	68841	86960	85942	95362	93677	121788	106295	94249	95444	119228	118749	196515	194795	139528	138162	173901	168561	185673	185836	213819	208233	173511	173776	198097	191969	200078	205578	204468	200937	232244	236716	169910	173815	239400	223519	221683	226540	224649	227076	235542	223771	211971	215887	225708	230257	217193	215341	215586	222760	235485	236521	211417	214205	234819	240071	226450	223146	240613	247235	227702	227043	258113	257915	244322	249636	237700	242862	156315	161174	242591	229979	185115	184650	223185	230410	252692	244601	115176	110539	124854	122697	109696	106566	182286	182656	118856	113383	131963	130833	185393	190287	138391	135426	120682	125428	134424	136816	133486	125558	112320	112408	139049	133414	120329	118890	129626	133320	129350	130327	115529	114187	125363	129185	132960	132119	203427	199281	126548	126179	114959	127459	123328	121127
2-Iodophenol null 1.362632	1	1	1	47366	1	1	72691	1	1	53509	1	1	53166	1	1	1	1	22167	47673	1	1	1	1	1	1	1	1	1	1	1	152660	163313	157463	163618	169360	166786	175620	148367	121347	179367	178146	224552	272085	214957	178796	172335	179058	1	134894	146204	249024	160843	166429	186636	164081	114137	282029	170357	70976	68161	160410	223055	63306	72867	116653	130068	224042	237739	99026	105589	23224	20296	490869	842900	230239	122555	138497	116398	1	1	1	150847	42311	51586	86934	73775	1	1	58076	25708	1	1	1487510	228225	1	1	64876	1	1	137104	81269	1	142846	137611	155638	348805	179330	171711	225168	149138	149401	291462	322561	274268	1	1	32986	21690	20923	1	1	56704	1	38240	1	1	1	1	1	1	1	1	1	1	1	1	10203	25260	1	1	1	1	1	49241	1	1	1	1	1	1	1	1	27761	1	1	1	47206	1	1	1	1	1	16946	6468	131098	125038	138118	60505	141275	139405	135023	145491	1	123188	144660	139748	124739	139459	220095	115838	159689	142331	142129	160276	142593	154239	84646	104236	74461	155503	1	141786	141760	1	184928	157962	161596	135536	167815	127487	136677	1	226073	186130	139077	158083	71784	135573	169468	1
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26546	32809	37382	32592	35319	30798	32793	31255	28312	32319	26425	31337	35969	33999	36614	34236	42521	38734	31291	35317	47039	35823	42052	56998	38123	37427	42540	32687	42034	40575	32796	41664	39844	38710	32633	46459	51480	41504	59710	59853	40080	53116	43421	42324	54288	53718	44082	59696	46362	39837	40267	41126	42909	53235	2437819	49894	36817	39356	37703	33082	38093	40745	41662	38194	35101	41810	36781	36677	38001	37056	40146	34527	43341	35387	38905	38752	40052	39626	41510	41187	36615	38205	41261	40067	37552	39054	45749	39038	41440	41147	36556	39663	41884	40748	36704	37776	45841	42845	38184	41637	41177	40265	42033	43732	36135	37453	38147	39011	35343	31521	38834	38913	40426	42043	41568	36418	49996	39753	43960	41008	37690	35325	35624	36222	33287	35087	39898	32438	37594	39644	27465	37217	38345	37102	39645	38731	37981	33199	37930	34187	31987	34597	39686	35958	39474	36125	33042	33910	37963	30940	41075	38950
572.1558@1.0091977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	200442	197397	130017	131472	198871	193412	77588	74168	107138	108124	55172	54131	119091	124370	113866	110116	133055	126632	93754	91609	115107	115379	61797	57630	133276	136336	67374	68717	257934	254749	227246	225698	81306	79134	56054	60165	139001	135272	153055	156293	186682	191321	245402	244919	82958	88429	112285	108339	56547	59068	235040	241996	191918	190496	166500	134986	1	1	1	1	1	1	1	1	1	1	1	1	8292	8428	9536	9301	1	1	1	1	1	1	1	1	1	1	1	1	1	8435	1	1	1	1	10512	11504	11215	10784	13223	10922	1	1	8718	8979	1	1	1	1	10502	12345	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H25 N O3	27653	26286	23115	25532	31619	31465	59310	59360	32385	32446	53740	52080	60660	62316	41889	40012	41183	34469	25799	29287	23159	25414	63221	69938	55266	55744	34057	33496	51600	53622	32598	33607	39806	40982	38243	36650	62843	61346	40497	38084	54100	59475	79987	75870	39316	40326	36981	39892	32634	32757	15060	14081	83801	83016	22120	24600	74047	74118	14501	14281	33079	36115	19544	22267	28195	24979	20816	20048	13942	14903	15225	16388	40825	35354	32604	30536	32813	31782	20388	17225	26154	23103	23977	27414	20721	23614	20227	18492	20595	19110	19315	17626	8450	12201	16772	15308	32269	30582	14018	11967	19091	20403	10116	9790	17655	15106	9728	10189	24508	24350	16111	16822	253446	23194	30790	32684	30827	29866	64796	64088	43767	45442	32956	37111	78583	76272	32131	34495	137920	135677	42847	40635	64842	70241	34778	33796	82150	81901	62327	60198	48513	51125	69205	66140	63892	61377	70042	70611	57858	57997	43655	40037	53822	57852	65498	65365	29857	28478	82862	84764	48361	46375	93955	98804	8331	8362	9594	8476	14470	14688	11866	12078	14214	18218	9198	11301	8960	9786	9688	11162	13047	13731	21686	22658	17692	19321	20195	19930	12130	12257	17952	18306	17615	17031	19776	18795	17912	19634	16394	14841	18505	18217	16586	17650	16076	16414	16170	19498	15031	14148
L-Threonine	114415	127079	123963	130972	82427	81283	116518	115982	103314	95343	75122	83585	78777	80289	107819	121890	115182	112723	92966	91338	71417	80771	128519	124931	96301	102461	113175	119513	154312	157161	41621	38796	42159	42858	30078	29447	24459	19799	67411	66651	29602	29777	19704	22780	50722	50525	53303	57694	19178	17893	17987	15887	63324	70157	7254	6514	39009	41185	97682	108413	128065	126400	206255	200468	94689	91995	104045	106407	118791	113620	276887	289907	98506	95202	143598	134541	86079	75073	127226	131374	249462	248804	162271	168715	126052	121768	362744	361346	260185	273220	289537	281551	117779	136182	296634	286804	236827	233364	147651	150924	206012	198898	151507	152843	216641	212480	108488	110999	162271	175280	152128	149836	292352	252742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
267.8109@0.8722941	168110	155748	164665	163367	219575	215884	140033	141956	157471	169178	221760	219481	212416	205254	175902	175292	147413	153332	170718	172218	217757	216322	132116	131346	189376	206171	196101	196958	155672	159933	381588	387404	384478	384255	403083	397530	414577	408198	387379	382413	363238	357181	413474	413385	379011	383758	369864	389456	408326	427901	262405	275518	383319	382438	475282	468251	352845	357844	134299	133604	156378	163385	59760	52823	207432	207929	197190	208670	241720	235809	33386	31884	134452	133484	228739	228585	187530	171031	134695	148959	48115	45345	66199	58905	224793	225839	24437	24820	34319	30372	33712	35882	89332	80453	35196	31159	48688	49966	212998	201830	69864	67000	136211	131808	151728	153634	290750	292816	155578	158717	181660	177432	147934	158998	339607	346839	388448	388806	230478	229102	365031	360859	426541	428886	361397	367185	362108	360621	355591	349635	357215	365812	352421	346387	359476	362958	383803	369573	355582	370478	354791	361915	372179	367164	410104	407425	378713	384961	443660	443149	374289	384690	421374	411406	218356	211145	442756	441698	188458	192547	329945	357225	423129	435765	195349	192482	226956	230622	192828	193970	369552	362852	166902	164115	229389	238877	352259	345995	270907	274613	237839	231714	288580	275750	202572	207602	152428	150513	268152	257425	190431	190135	181280	181161	270737	271752	168182	174203	272142	272955	211846	208404	484255	482406	219606	217897	186897	191480	204473	201948
C3 H3 N O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9365	9494	11793	16755	12981	12364	13272	12730	27015	39125	19165	12897	23981	8611	18009	11549	19096	16328	11829	17563	31767	10582	21985	21171	17264	17844	15349	16974	15706	18940	14023	13748	12026	17302	14069	25186	8959	14785	15814	13431	185897	17352	15271	16830	17191	15494	13988	19217	16309	15799	11812	20994	25942	17512	21534	14286	17526	35838	18983	18589	18797	19540	19116	9600	27595	22103	16266	17485	8757	12436	14776	18525	13324	19728	18061	18844	18878	20483	12792	13557	11501	15490	21662	20349	15542	16091	20047	16658	12976	18125	17670	16482	12842	17162	12788	11791	13276	16137	12648	13982	18337	16671	14806	15901	13060	12172	12368	10720	7834	9567	14787	14675	16475	13277	10062	14075	8579	10258	14514	16691	11838	11038	15918	12443	15399	15188	14099	14658	8017	9558	15932	10516	36619	10702	20353	14456	15738	11054
410.1059@1.295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45251	153886	231285	240541	254290	203621	196143	165918	91985	77560	105560	83346	64816	57627	34305	28937	1	1	9111	7541	6455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9287	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Theophylline	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	793021	790514	70127	64965	179336	177794	818949	825124	45756	46146	44265	704938	141967	149090	947973	872855	741575	740529	892988	755113	801769	78900	1554029	192889	139140	148358	44938	41316	269986	286324	218172	239393	205674	201882	441053	64617	214798	219363	174472	181185	79168	1106949	202608	214440	76739	73998	1335536	100799	33466	37997	1328222	149301	104215	92589	118421	118714	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N2 O5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	253159	248700	239458	136658	96512	149392	151621	173629	271056	281348	178491	191323	163050	161290	289076	267374	354345	375038	380337	428084	235747	104216	252384	142586	281138	206062	259830	263352	75187	106723	118607	110457	211133	203813	361019	243052	202801	182646	206857	186243	259211	300586	254587	206492	277496	304642	389957	301463	325438	308115	228118	286317	256279	263322	205067	297781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
219.9396@1.7619772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	979561	1	1132327	1188528	1146658	133175	888253	1163371	1	114148	1	1099577	1433156	1	1411410	110107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	205107	1	1	749206	1	1	87225	821094	652575	1004880	1	73679	361889	1	1	1	1	1003643	415478	396792	1	1	400777	362316	1	393265	340881	1	1	1	1	67089	297561	305251	397068	460856	1	1	701183	516488	1	795185	1	1	1	1	1	629064	574799	1	231286	1	443477	579520	1	1	545422	1	1	418288	1	1	1	233800	1	1	1	536972	1	1	25937	160716	1	28762	21377	29912	1	40513	1	44339	41482	1	1	206526	130096	99924	143481	82383	199982	100407	205691	164692	115029	157510	145437	154909	236654	192177	86970	89438	148482	170400	1	141314	202111	198013	100927	123894	209911	215486	149081	160013	198085	223742
188.0307@0.97321546	487340	499516	518808	544188	390917	376822	523802	524550	443296	523330	381019	399112	475235	506444	530855	540943	463740	443926	521394	430098	342827	338739	737898	730435	384015	403703	496102	507248	550493	559702	38302	34875	53125	73220	39888	33271	52494	37336	29087	24312	42373	65177	56245	61941	81686	79818	57569	57863	24918	27060	1	11680	49902	47550	14288	14372	68621	79167	30197	27342	25552	36190	32432	22638	23036	29981	13929	13244	8757	8279	53484	24395	22893	27264	33468	30580	17414	32582	45647	30316	95209	90336	73023	46748	15433	39689	477258	483929	106114	94865	58459	57145	1	19672	139566	139644	75211	42967	40328	36719	82336	128833	29746	35051	14549	41541	8988	1	64931	66179	28606	31823	79160	49073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
479.3014@11.717003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28038	14120	1	1	45259	11259	16612	12520	1	1	12075	1	24974	1	1	1	1	1	15603	11677	77712	54487	451940	112455	34262	10944	14324	1	1	1	1	9494	20735	10813	1	1	43840	1	36204	9686	22699	12910	77891	41967	1	1	132779	14471	1	1	52632	20240	13746	14244	117270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
WWL70	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	174259	174518	191969	194432	242609	234241	164414	166626	178508	174061	155057	153647	253813	254122	105992	106162	121987	124361	151535	152182	180896	194678	236432	227136	225691	235771	149171	151819	176298	178277	186774	189198	215311	218351	136884	144641	238323	241957	241766	233552	129893	136177	222945	226273	188444	201696	204636	200747	108478	111282	173123	174004	178663	167255	225527	231181	1	1	1	1	1	1	8524	9877	1	1	9389	8514	1	1	8526	8016	1	1	10057	10020	6293	5853	1	1	1	6540	9892	9206	5663	7984	1	1	1	1	1	1	7198	7298	1	1	6660	6567	1	1	9969	12237	9444	9748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11834	13854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H8 Cl N6 nullnullnull 1.2480004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	256037	248350	314524	299034	715309	694062	169876	165339	267709	257228	267837	262024	1079082	1078829	123009	116764	296042	281321	208142	219824	320190	304697	755661	704962	688082	666174	227196	227241	1009993	1029888	787273	813586	1033271	998650	222167	199872	1139948	1160339	1021735	1043249	312099	307912	853789	859287	384536	386451	592158	583570	223696	240922	335211	334291	343549	337186	835883	588931	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
609.3306@12.013819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13409	1	1	1	1	1	15547	1	18281	1	1	1	1	1	1	1	54902	38710	354089	104350	35657	1	1	1	1	1	1	1	1	1	1	1	38749	1	26024	1	1	1	47622	20422	1	1	150088	20871	1	1	40350	15887	1	1	37361	1	1	13828	1	1	16701	14218	1	1	1	1	13415	16289	15041	12802	20578	19401	1	1	31052	31926	1	1	1	1	16243	15716	25543	26529	25462	23742	1	1	1	15829	1	1	1	1	1	1	76247	59787	1	1	29964	27017	31190	25060	1	1	47897	62755	53092	38941	74543	43730	25401	15995	60655	19827	273871	231873	34347	15228	15137	1	51132	30445	17681	19694	40693	1	57845	19354	29905	28095	22653	14960	21682	1	26295	26683	58831	10596	22348	18462	304969	22770	11081	1	58851	21432	106049	199993	47733	21377
237.8728@0.86348665	256183	250605	259850	263105	307501	310781	246785	232600	260197	265435	295549	285888	283354	284780	262357	263370	263419	266909	262700	268314	308424	302194	204797	211789	277521	281669	283789	288786	229225	234919	423644	407524	422214	403858	417250	420248	413675	424693	394620	393661	407319	406300	409866	423882	412796	428817	404092	409771	448698	448133	259713	252684	393710	379990	456031	461197	382851	389330	207349	200656	216277	224165	116337	121622	263900	262976	262214	272930	259654	267460	84181	82130	169138	153480	250621	253722	258372	319497	247869	245353	102731	96007	127707	123916	253504	239855	60877	60561	66945	68934	71194	73446	110809	104956	76574	76229	98003	98992	234283	229878	115409	112413	180367	189741	193972	192874	273631	279365	194443	192057	220067	212670	208902	209080	77065	76997	72322	70685	46103	50838	68035	68958	76935	80712	75277	74715	70660	74095	80791	73193	72487	72626	72556	75048	78002	79626	80061	75449	72719	73491	74022	73703	76912	81100	74320	74616	74426	78935	83721	85342	70429	77798	77507	79877	54952	55513	91931	89291	46316	44463	82102	82636	83942	86695	48359	43092	50716	49172	44408	46211	62196	56290	43311	41348	47848	48971	61449	60499	56688	56582	42469	43417	58382	57325	35679	38722	41290	38237	47284	44368	36103	36317	41832	41257	56317	53933	41969	39453	52786	58158	36583	35611	67044	69029	45581	43125	30538	31228	46386	40037
3-methyl pyruvic acid	53979	87944	120281	89782	74158	50763	128616	119014	144497	152624	85632	92308	75562	104895	105581	78116	116133	133231	114152	126301	45442	71767	117490	119536	91155	94340	94435	94506	134778	117231	260753	246612	461473	464552	471048	494821	239548	222875	874567	851412	252671	255279	286411	301148	282620	314968	517701	531489	167530	179252	86063	102080	804067	803467	131071	136609	614862	634783	154066	157794	109829	116308	104530	102730	69222	59586	64739	68636	26929	25472	106113	105152	102658	95334	99520	94537	88897	89549	110906	114792	70291	60521	72037	104601	33933	34230	180183	179355	157631	160290	83845	89850	48446	68580	117709	124250	128997	135325	152605	157759	188036	193615	87467	101823	124750	117068	15559	23956	241587	244705	149281	144145	121186	115289	65985	62682	79789	78602	43932	46236	70711	65608	30941	34358	88313	83605	66106	69822	109269	107788	78365	77633	124065	122374	86958	89288	70080	74274	103854	102167	106184	111992	111195	108834	50920	46294	89751	88987	35241	31569	82085	86782	55330	49364	90138	89686	41873	38292	115017	113928	123417	114272	48316	44785	47262	42262	41951	44430	49137	47767	34616	29329	71345	65312	49855	49616	80033	90235	51511	48460	56431	58819	36943	35400	77726	75220	90767	95676	50157	50223	83478	87067	89244	85913	51324	51395	71359	81052	49233	46079	70801	71477	41730	39045	63602	64998	105704	99895	85933	77316
C6 H9 N4 O3	10207	9948	8298	10222	11004	10838	6733	8095	9259	9031	10204	9807	7756	7687	9193	6233	9047	8490	1	1	8555	10086	7038	9575	12263	22330	12295	11556	14343	17729	69476	62227	72286	69332	39358	38699	30990	25948	47169	49802	39867	45193	31642	33967	70975	71778	76267	81448	26547	36148	12218	12714	52665	50503	13756	12295	54681	56223	15657	11579	11766	7890	10316	13537	9892	9334	8351	8526	10016	9835	11199	11200	24883	20300	26817	29308	24097	25678	41313	57255	32636	27792	22932	34102	26654	23992	32088	34621	27760	35336	36183	28866	17190	32751	55305	55175	47382	45120	57455	56519	52926	50245	32409	33496	50685	49359	23332	25715	42146	44195	39143	38640	33200	56079	17197	16932	31708	31492	27002	30503	105122	110063	20720	19851	27747	29957	43959	49005	27007	26336	31310	29729	33800	33807	27545	27403	30159	26426	69225	78668	34383	35599	78964	76270	18618	17790	30761	31498	28299	27474	24263	26245	30228	31257	29576	28675	18781	19137	36045	34486	25312	24933	36112	39003	35278	35335	49269	45348	39631	41190	41706	39775	131794	133717	57038	59194	53496	51540	35966	32352	81038	76711	25255	24114	100881	98541	144100	147228	62210	60515	102599	100880	141250	146347	32401	30554	116967	115730	38457	42145	85133	78825	49485	48259	98682	99482	100357	100816	124340	121411
100.019@0.99160093	45650	49368	42734	43734	56622	60848	51406	43749	57779	53764	56999	55888	57089	50976	38605	36118	67915	60841	47789	48869	51740	51786	1	50432	59333	68657	49956	47933	9255	39634	80662	81564	78848	75742	79579	73473	89364	78838	47103	43270	81669	80956	65753	64545	35425	45296	39408	46048	81326	87801	66302	64093	62338	66983	105776	105563	87750	91284	132195	139272	144950	143493	158773	154335	351747	356784	142430	150962	125141	132310	203343	195105	147290	141879	156450	151419	298755	467251	462907	496062	183423	300182	541612	358041	301979	296704	412707	426409	590665	256397	145932	136677	113444	136208	191582	186051	358669	342010	251387	243572	382793	363607	202700	201773	202351	204790	135912	131997	204611	202682	163092	152529	260011	243568	49632	49794	54994	56582	48190	49736	49501	43576	31876	36991	30361	30883	60203	60073	61205	22661	43005	44047	54627	40212	61199	58799	46170	44663	39095	10133	37587	28721	33807	48252	61744	65375	49282	35241	79286	44351	44969	83152	21598	57449	94962	68292	49505	51575	39671	58130	56270	51198	110066	103303	46830	43014	24712	25346	92426	116940	64615	63098	195701	196011	32236	33047	79915	77342	26494	48493	29325	30176	37073	41001	116236	116222	100538	105636	37082	36014	85428	87486	68040	67757	30092	31369	70447	67321	21634	22723	70320	79929	130732	127754	138946	107330	58649	60469	174671	173644
247.035@0.9360005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	203972	216200	185824	183157	207774	212849	224688	223067	235402	232405	207651	201996	189962	189528	187149	171233	237809	241456	239399	251195	188648	205087	86913	81717	168243	181665	187420	181084	124280	120898	134006	134319	161578	168746	158392	153834	205183	194976	220254	230481	238927	241311	208544	213070	215649	219873	241135	247846	281592	282078	169440	173560	240639	235312	261094	291122	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Dihydroconiferyl alcohol	171701	151826	120704	115903	85235	56236	128071	128388	116940	122304	65007	112134	165554	138611	163029	124526	142920	89522	115753	102249	90708	98302	137841	58394	73781	80181	74627	60919	148254	128284	113500	30466	72981	67189	36586	34717	34347	46978	68329	71111	57544	103739	29033	102367	104756	72142	106912	98368	1	1	94584	105781	176269	150515	1	1	68863	30291	1	1	67443	92383	44736	33647	68808	23035	1	1	59631	62600	1	44435	112323	113132	60238	1	1	53182	168935	97678	246561	180195	149894	152423	92302	104545	62683	77093	81223	87881	54861	62115	129643	129339	111386	75360	145431	141908	68346	96061	151315	177775	71811	82026	126402	98846	1	29120	205680	256576	143221	72979	140357	170781	173300	171088	126083	123676	175811	170517	120759	111549	93239	99351	129509	124073	74157	80043	108757	112229	80357	84077	134173	129705	204376	147701	182775	164355	77931	79563	58074	67657	63751	80961	117905	122479	66205	53908	76048	44418	123086	87783	92829	101386	344524	311813	96438	67318	150297	149515	88684	64512	109574	114943	58440	62851	65037	59115	159246	137748	50684	47421	102119	112348	83630	85938	151403	174194	53786	54072	29788	1	31109	32490	58944	81451	177910	154671	112614	119045	24092	40434	42493	34517	73561	89014	79979	64816	36482	48001	98613	29304	34892	34792	37314	32901	1	38471	58801	50933
417.892@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69560	80287	68893	67388	128947	138462	63165	62205	57300	61873	48595	50354	147605	146419	81301	73045	50393	61003	54339	39143	43065	44737	77747	91810	88348	111900	44110	48809	175714	186790	181322	190424	181080	195339	157133	167441	219887	233191	189484	192441	74336	74214	182591	179170	104893	110745	99925	103384	45622	56696	93985	105935	93062	83242	150509	114312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H46 N4 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13417	13195	10009	12937	11654	9853	12147	11749	8911	10419	10466	7791	10141	9243	8490	8894	9048	9189	9161	10805	8678	13957	12733	13595	12499	7890	13060	13128	11570	11100	11302	10770	10972	10076	13603	9398	14527	11197	13844	13296	548824	13663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20477	21899	20967	21396	19981	19463	18393	18659	15677	17144	19702	19304	20280	20250	11989	9767	10258	11402	11341	10238	9706	9865	1	1	9513	10342	11033	10788	11867	9587	11406	10481	8953	8918	10000	8121	1	1	9971	8846	1	9916	10347	10180	1	1
375.9133@0.8496305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	159116	154032	168716	170604	102689	102122	188275	186863	194178	188248	189360	172564	53120	57576	154134	150033	198799	201619	197915	189086	129591	141740	74469	68998	83762	94605	167247	172518	44529	51055	64025	69468	68434	70088	111728	110836	83327	88469	97287	97145	181391	187357	106402	114280	154635	169430	162951	167105	211561	215142	168434	160416	178384	180682	196131	187114	220231	227725	243934	239808	201887	203476	227706	233001	244456	244063	229571	231012	238800	235805	227697	228265	229551	237238	224143	222664	225360	223724	238259	232086	233492	231284	249452	245972	231889	231773	253801	254143	244001	233688	265701	248480	243262	245006	246421	225969	173913	180343	239874	246288	188188	183574	223227	225653	243886	254067	148544	147440	164498	170105	144966	147940	217447	222613	139896	139399	171467	167384	204602	203325	176139	180557	167151	167304	178765	177776	151495	153253	137552	127564	181231	172355	148073	143119	151819	146553	177080	182972	141025	144905	185413	174926	169700	160056	246922	237080	159617	163981	140399	144781	154035	156136
C29 H44 N7 O12	66486	62399	17430	22187	23391	18376	14999	11954	29101	22376	32201	35049	95615	40617	93967	60987	246126	61825	65598	33723	42757	54096	13581	14082	43709	32049	27990	21173	17423	15995	10207	11961	13842	14075	16366	18302	16519	17561	71870	44983	14117	14162	16698	18399	21493	19686	100524	37971	23677	22018	8211	10139	69261	25345	28371	21167	19780	20476	17255	17530	16152	13889	18205	10722	15294	13884	15948	11920	22980	14027	17375	10926	8891	6975	20523	21064	13405	13627	29828	25259	269163	91054	25660	12408	19893	10490	7367	1	9158	8327	18240	13307	9370	8824	30069	14701	28493	15393	30613	27269	35534	18654	26828	25580	186644	34740	16525	14625	30213	18910	22547	21290	74923	18834	14827	21155	24872	24597	28335	25648	28892	26326	22504	23715	23752	25214	44793	47857	37275	40078	22496	20925	37619	41343	21996	20748	33819	27194	29312	29152	39846	47934	30529	29708	20077	21349	32468	31639	25967	25520	26869	35122	29247	28372	61984	51120	26114	24405	32993	34400	43232	40139	29570	29219	48555	56706	47261	39495	24354	18699	19673	19116	22495	13255	197586	170255	30085	25391	12631	11046	22415	16960	13818	15161	12475	9108	11264	9220	13552	11865	9915	9770	10082	7870	14352	15240	12496	8589	13635	12413	58988	8758	13165	11995	16292	10907	25460	46230	12362	8704
538.0142@0.89100033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11046	1	9048	1	71207	69839	1	1	7704	7484	1	1	123612	121900	1	1	1	1	1	1	1	8794	67368	70459	38853	44746	1	1	238036	236413	138978	139985	101180	100675	12101	12510	128609	121284	81882	63412	1	1	40240	42179	9221	11702	10658	9123	1	1	1	8791	9383	8978	9838	9873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
294.1901@13.383155	257556	271840	131542	119875	113399	82102	99211	89374	203247	154760	210500	138783	317562	161923	334345	738775	297039	30774	320868	2524463	457261	242221	137685	129253	149352	99470	104011	84625	86950	72512	84503	45262	54222	62514	53303	50620	54449	59029	320272	270949	69837	76155	56610	81753	83642	97941	253771	137054	91694	77659	55945	43983	319583	115840	55404	69665	87745	80059	30758	16059	18068	22782	40807	21033	31651	28285	25177	20462	22518	21194	50611	30004	31109	33909	24990	24651	22648	23607	8270	62019	152689	2204785	26118	13373	53219	32769	23907	19907	31434	32086	51698	19622	25934	30644	72441	32301	7228	32413	10573	27720	16227	55898	21869	30299	66697	8681	27241	15150	73795	62340	24801	26669	48559	24027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
689.8442@0.8397312	201473	199408	200217	197169	153096	157142	207700	205684	197488	197398	164837	163859	170518	167003	190849	174652	191984	191607	184416	183298	133176	136815	222526	220286	173756	180348	176941	179506	214734	222533	36664	42335	38743	42297	36159	39626	33949	40595	45099	46201	42160	42268	30973	38309	34476	37092	42810	43886	31019	28047	36195	32371	56528	51784	30367	30548	49038	51380	82691	87680	87885	92961	122626	121488	79831	75346	78327	83567	70383	66034	74906	80327	150464	147299	102513	108301	80818	28873	32191	36382	50848	62767	79843	87085	60747	70691	81470	89907	127400	129882	135520	141267	210725	227787	168195	174436	185440	181765	131910	126845	202733	213248	166569	158612	164127	157866	75079	86533	163549	151649	134380	133978	239668	178338	23004	21454	20258	19147	35162	35270	24098	24671	16361	16197	26539	25909	24006	24362	31458	28048	22764	23351	30340	30146	23159	25602	26216	24436	27281	25056	27289	28898	25364	23791	19271	19498	19986	21249	16513	14892	26110	24395	19377	20174	42723	43312	14008	17187	51532	48857	24453	25341	17601	17411	40274	40829	30974	32970	40467	40311	18408	17619	71569	70628	36635	37468	31528	33683	35740	34670	48437	48457	22518	25825	85400	83607	116981	116538	41934	43386	95592	94119	93004	95635	33626	29320	89403	93820	33175	33758	79681	77183	19348	17935	72014	73627	113499	109706	78876	81273
C16 H2 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44740	26199	33976	29144	126745	127236	17345	12699	19164	17072	22574	21231	189125	191388	19142	18641	14294	14094	23256	15196	33763	33935	141401	142078	92639	99083	22440	21075	293031	286913	184948	187337	161454	155801	42599	46128	188394	177498	120024	126235	18756	19862	98239	99424	39228	37746	35243	38241	13398	14096	39744	37099	34844	35811	44088	44347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
339.8943@0.844906	153879	148728	161159	169409	115848	122357	174496	164781	151400	147992	125262	120577	140081	137608	127315	133852	156501	160514	152173	145485	103434	108482	173897	174758	130097	129615	138963	139658	169283	183064	41078	34556	39414	40221	35889	42467	36551	36050	43720	44452	37737	39411	25928	39677	28810	32499	41799	42777	23971	28435	24309	23458	42927	43333	28278	26692	49748	50569	149325	147584	139338	139329	213593	217691	112998	116796	119961	127545	97914	101092	287199	278210	85400	86706	86632	82784	103221	98322	118815	127119	193905	194909	195221	195844	94237	91536	237000	231400	212581	215751	216875	216037	110212	110329	231756	235917	208115	205255	105359	97955	187951	183138	141905	137699	130552	127056	79941	77260	126369	127616	113557	110982	126627	134782	38749	36123	34363	32953	39806	39060	37444	39984	23894	28472	42868	39665	37618	39015	43619	44881	37404	37826	44617	45454	44613	44616	40866	38545	41685	42500	48919	48271	40457	41737	32710	32457	39520	36295	27759	29185	44483	42680	31273	34062	48034	48207	25074	27045	57595	51945	47979	44439	29894	28505	30448	30516	29818	29042	33535	33133	20627	19613	57712	58805	32480	32627	34924	34191	32141	32344	34062	34139	26368	24090	46023	44626	80069	77220	31825	33703	51015	48944	65056	64225	28659	29677	56548	56299	30318	35455	42616	44364	20300	20943	42490	47057	51201	50085	52713	53626
450.3194@13.666736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16624	34570	25508	16862	1	12617	21905	14296	761696	1	70847	63624	38968	1	1	27482	28553	38901	22971	9099	37719	25167	12374	26501	38461	51080	59460	30812	1	27651	51872	45523	78246	54758	37383	54417	28556	44179	28166	45204	720472	20377	86465	20175	71794	60263	71105	47457	57209	31150	36926	13952	45319	58025	61993	21548	34707	43616	51037	73119	46720	48367	87854	14420	67266	32599	53952	21366	38337	64549	45063	13868	38461	14449	13070	44217	40010	17577	64971	47958	28090	51568	13400	64315	80049	50198	38129	17141	81313	40754	37135	65802	1	1	1	1	7778	149989	53170	103973	62609	1	130376	195216	104246	94135	10205	32796	63996	94770	87767	1	39898	52544	110448	35736	7622	105767	8086	1	80314	1	1	13520	1	1	16524	16400	1	1	10043	20551	1	79636	1	1	29724	43352
C12 H10 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	443646	444926	343277	8872	468914	16467	434785	446886	444776	433131	10587	8983	15086	22757	380003	357730	464534	443079	524791	457747	11676	13123	30728	36481	32422	32961	9079	8210	529516	536178	27822	535568	28002	28885	159173	268882	508810	497184	34980	35078	475652	470058	538350	542254	399741	395962	546395	515533	365874	366582	461055	464549	505786	484792	1	661631	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16353	20649	50559	52437	163960	174786	38405	40535	44634	44126	48301	46265	276450	275293	14472	11748	41053	42275	26582	30717	33640	40896	143752	139245	69748	63714	36918	41331	138679	143846	93767	93467	198859	198592	21369	29220	209891	212444	113177	112262	43160	49736	111765	108320	37015	38717	89893	88304	33733	31925	26056	24123	23162	20622	66826	51666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.2187@0.9929303	20532	21985	31375	26329	17099	17472	36015	35620	29349	30940	18452	17823	21340	21776	28966	26763	28865	24497	32685	27789	12006	10860	38512	39146	24950	27110	23354	25465	31021	34395	10628	1	24101	26485	34648	32196	11475	13956	38457	29278	10397	10521	17254	18248	12709	10676	22884	25800	1	1	1	1	49337	39390	1	1	53898	44829	110710	112500	76563	77111	145622	138795	36001	40620	62330	60479	28287	27237	107873	114068	54130	49536	74380	68064	54527	51890	78529	84681	52098	52268	114695	116729	40073	41405	263813	256341	206100	216025	80094	77485	27103	33852	130467	138693	143088	143455	114667	114064	196137	201417	59779	60903	77842	75202	26791	29454	156170	160523	128811	128454	104086	92266	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
365.8864@0.8618281	139106	132688	131560	135810	159225	150280	133699	114650	138270	138403	160208	160683	149744	148560	115396	118904	132839	148291	131632	143465	148346	159407	106906	113168	155463	146049	142588	137481	119026	116164	232415	231717	233841	246232	245625	242737	240101	242529	209052	212842	237182	239193	219044	224327	166037	163623	184775	192729	233362	230808	171167	175922	208165	209642	278363	282440	238426	231270	142749	149501	133378	146888	112381	106761	172439	187999	177347	185097	147420	152768	75719	93213	127991	122355	181787	183517	179380	184425	130371	132488	52215	54704	91455	91721	137348	133388	77202	76394	82959	71736	83335	92501	86972	88241	91880	106567	98282	93124	154767	149661	106928	101913	126823	128994	139848	133336	178862	182823	122332	125100	154652	143973	147756	160344	166631	171103	194103	187293	162698	166162	186352	186259	206930	216520	182928	175487	178520	174713	150621	155436	184395	187540	159690	158333	164026	166179	204802	197228	167300	163448	190866	199325	173408	174467	220639	212840	186952	182225	220394	214076	195183	197311	196582	197586	118265	122261	203403	200062	141898	145853	153939	160804	185447	189828	91464	90425	135220	135637	127968	126253	210497	205680	107880	111336	164999	152434	153047	150300	161514	152660	144487	139501	164726	164521	122720	122824	101020	101123	166862	170326	108833	106002	137167	135720	148586	152396	119745	119231	153931	148127	131238	131836	170048	170361	131293	130686	102257	97966	115263	112842
PE(18:2(9Z,12Z)/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12940	13232	24301	13474	13416	14598	8195	1	1	1	18684	10991	17484	14586	12536	13185	10985	9365	45550	32843	298943	90227	31605	19986	10739	9805	1	8293	17623	18932	21854	16363	8570	7743	33107	13456	39407	22714	24851	21904	43954	26350	18519	16310	89232	21400	1	1	27798	21327	16413	15632	28932	18471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12807	13273	1	1	1	1	1	1	1	1	19911	24272	21033	17496	15816	9356	1	1	8844	1	67481	53081	8934	7854	12703	11038	24551	17907	12716	10073	11335	8384	7860	1	15426	15438	9617	1	1	1	13799	15451	9545	1	16220	15146	40197	1	1	1	17257	10516	28848	46973	10263	1
Citraconic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	211212	215790	183478	190722	211192	211150	206172	204265	220335	213710	172078	170866	202443	199342	168199	145729	236260	229440	223262	239663	175803	189372	84758	77262	170315	183987	164131	166162	135438	135551	136159	132333	176977	169292	129540	132385	224785	214223	257007	272470	238499	245311	242688	223715	221065	233089	254488	245195	276913	273758	179479	187318	253050	244306	327031	302909	33075	55272	34941	33450	38295	37350	39163	38195	32207	47433	73023	40322	35452	32127	37709	32009	36769	41071	39682	38336	65913	32491	41417	40057	37169	54547	38368	43442	35018	40286	50723	54748	33139	35111	36103	56154	43101	42924	40947	36764	27811	30107	69195	30869	43402	44541	31727	33747	33508	34452	32025	29372	38827	38502	36209	31376	31257	32160	112029	110882	85839	87199	42905	42120	40012	47236	66606	61359	24785	26416	122624	133632	79525	60511	50951	51489	88296	102355	114852	110076	49168	38457	102208	115095	43890	45369	127840	121163	20060	29508	123740	134035	145436	139471	127431	125710
284.0757@8.509002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8947	8899	8291	1	1	10020	9680	1	9053	8525	1	8386	1	1	1	1	1	1	1	1	1	7672	8725	9949	9348	7538	10381	9384	9290	8057	9153	8844	8943	1	1	7584	9226	1	1	248651	9927	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Methylglyoxal	2161193	2180959	2161618	2207742	1673315	1597437	2008745	1961814	2380656	2521921	1435890	1439353	1656501	1659791	1737863	1662987	1491106	1487749	1994874	1948032	1447039	1508872	3053475	3127279	1880510	1991552	2323523	2360654	2503258	2482803	73641	73783	131987	134353	558030	551612	111420	107147	646389	646707	206048	212983	85739	82093	86366	89201	492348	511669	83542	82492	113575	124437	763716	754503	58977	51341	889691	858444	1123935	1057807	1897387	1851367	7013694	6908139	730143	701931	1012972	994272	1222330	1196730	3412673	3389548	494122	431127	1481056	1442226	515371	488656	1466008	1481187	5058668	4830876	3783454	3838327	1073086	1089588	5826325	5818961	4905618	5161950	3948748	3964592	1671330	1098413	5528257	5478392	3963829	3995439	1016832	1019683	6465400	6393154	2070377	2111649	2247279	2246154	1234774	1296808	1047644	1139448	1511457	1513260	4284030	2979437	69699	83366	59674	60948	98225	34519	58631	53809	39068	50678	61349	62205	57121	59733	66614	70136	59363	66952	58657	61622	69825	76981	84366	73742	64820	73346	59699	69513	57519	70648	64750	64051	54428	58188	45047	39200	60195	64066	56169	70710	76489	65970	45636	50760	67788	92191	54847	51975	48461	73797	25181	16307	9820	11998	24413	19001	15095	13725	32460	31536	11195	1	25883	25328	1	13907	14714	16150	1	1	24172	28766	43537	46095	1	15431	26105	21630	25350	30746	1	11526	26344	24353	1	1	19607	20276	15588	14762	17321	19589	17538	18075	26492	24832
C17 H7 N6 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16282	16230	14940	16324	14860	16261	15547	15309	16702	13942	12645	15030	16292	15365	14400	15038	14090	12598	13434	13706	11541	12693	9801	11513	12512	12136	14290	12953	13140	12736	12461	14700	12382	12335	9791	13885	12840	13196	12238	12775	13307	13706	10998	11750	11410	14852	11058	13065	12317	11866	15225	12764	13871	13281	246853	14977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
541.3378@11.409466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25802	13924	1	1	1	1	1	1	31612	16975	1	1	1	1	1	1	32537	23672	301448	95499	38097	23956	12734	9948	17612	18003	29996	28075	36676	24216	1	1	48187	20335	47356	25046	15035	11499	59235	44551	11567	1	68422	14688	1	1	26226	16094	1	1	6577	1	24491	31642	13839	12678	35022	31638	15425	16208	1	1	21668	20279	18354	22568	34610	31830	17930	17339	35792	34696	30802	30714	16629	15508	26314	25741	21924	25962	26176	27074	12793	15421	14292	15033	1	13207	14451	19753	18642	17288	86079	75823	13814	12486	31736	27691	31394	31034	17657	19080	29202	30886	26450	25320	41029	23749	18219	11375	23554	10836	115919	83665	16259	11687	13948	1	37681	28709	15196	14428	20433	12613	28815	16788	19735	14083	16717	11892	14774	1	20635	22548	33320	1	19812	18210	82961	10950	1	1	26815	16394	62620	98907	23591	13187
Proscillaridin A	64114	62251	112007	112230	27923	25093	74682	69278	342148	345427	25355	29633	128832	131957	200558	202605	176657	173957	129131	125027	105752	106027	81219	87356	38904	43514	198159	183648	211004	224295	25620	81462	247601	255732	343863	353269	411313	398660	693049	699567	384626	390913	249447	260444	47226	48702	446544	458442	39439	37125	26873	27187	374249	346002	39239	47852	193699	221102	75850	82004	48299	52811	1	1	83464	92477	33808	35027	1	1	43569	39382	33308	36367	1	1	53001	47854	46072	42201	17863	16100	1	1	1	1	17663	17519	23938	22666	29136	29552	57145	65732	24330	24341	46326	48970	53708	53379	51061	51280	286988	279234	89942	90940	1	1	88684	88917	121169	121836	119080	108098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Tyrosine	49598	47841	27655	31898	22086	19843	36873	35036	56709	52837	26338	26506	37506	35574	28697	25652	42822	46112	46323	41702	36511	42719	40591	45625	32890	36985	53457	49892	64610	65081	125727	120641	159632	160193	113993	107169	72528	67974	193296	191629	107505	107701	59660	61377	186851	191009	202777	214237	57379	62079	30391	30776	158307	158590	26703	26204	143491	147823	55986	50887	42911	42698	66734	68954	37118	35660	22252	22753	54757	52503	107632	108407	40921	37290	26055	26673	39527	40040	63721	75689	130041	129878	99140	104525	76552	78452	102847	101817	94882	96179	126066	122198	48458	52131	130297	126051	148661	154471	48622	50556	121034	117356	70769	72853	57057	59916	45684	46814	78940	73024	87995	86643	70434	62329	24652	24590	33838	29679	13956	13048	73771	75874	17214	16594	18446	19662	41108	39635	26064	23613	30257	32828	26112	29026	38696	38852	32132	30525	48650	48312	20962	19468	56505	55172	29082	28982	51733	49507	29002	28433	17019	16463	19704	21672	26370	21399	20508	16650	21331	24772	16430	16440	30671	31909	277188	291704	259537	248408	276057	286473	188090	184865	353493	363125	217008	223679	348177	345666	345487	342631	314243	319474	226560	223879	1325754	1317778	445872	455744	237030	246470	1678959	1639707	448447	463162	220857	222340	360023	357982	339802	355621	709625	704552	121556	118858	1004026	1016927	1278684	1256353	439289	421583
Sulfuric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	246797	119208	463734	292047	93874	279303	530856	198445	299611	308116	276033	343734	466414	148885	159955	157745	444980	173059	188172	495704	276326	476921	271536	174373	224293	396282	122744	133900	183094	389159	193558	182203	159137	162965	174402	265669	232641	220502	418005	326467	237719	145336	229433	294469	241025	182551	342150	219874	233322	103813	89787	85351	445181	454736	101157	451960	142390	250187	341323	151016	333585	359560	61048	364466	331704	202917	101569	190274	356872	179650	224034	220498	374512	266486	382183	293360	190092	196035	179843	399830	249349	178182	362507	373848	280571	186916	157930	360454	369121	382291	164489	405199	184203	382193	387570	285307	168794	363669	194776	240545	373664	148287	377828	383792	391143	376166	177507	319674	309043	244015	252258	155612	311535	329670	272472	258489	327812	327789	391674	383795	232118	149038	119398	338233	325660	161164	172915	211606	166271	274816	122858	157047	178806	178830	370304	261212	276647	338345	205819	201913	325372	323348	206824	174636	248306	151683	48756	359647	392600	247823	190124	195122
492.3666@13.380163	1293077	1174299	566274	1026438	1029507	346234	304575	426670	823319	1018544	966251	563625	1477430	1211713	1689370	1	1206418	1	1	493317	709702	717339	1	983798	531441	1505906	529159	1	371104	304877	252549	285445	272084	257308	316574	263365	334809	292397	1393998	1131466	386954	310222	243495	243228	304537	199419	718066	619595	646233	326427	190783	325510	993723	485857	494455	186981	257491	249017	88541	67514	66988	68292	134647	75704	96838	55873	91978	67676	74258	43447	159782	71220	75821	94000	95794	77949	88568	100748	232571	171660	1	1157164	765599	252935	118481	94507	74180	84869	92775	116481	165541	107371	135749	113335	279817	149180	229816	138594	191762	115468	351433	203759	127799	124352	432197	269075	122356	118464	218982	133510	80838	117187	8397699	108472	159861	259359	191682	177177	196796	221602	150476	148087	169664	154791	180167	160866	179001	155274	246006	209427	149425	152736	311462	231777	206557	185659	177059	116411	171939	171147	209604	235559	258864	176521	141914	143285	127579	139857	106726	120236	190692	181998	173021	137328	285563	243257	162473	137139	198549	190162	200116	196156	146950	103805	281504	728935	420061	489527	264484	349256	395842	358355	280121	233003	1043850	1742123	188432	535677	381482	271165	573528	458815	451057	300101	321439	338113	245812	267991	414170	328606	265384	176836	283591	274510	343126	296891	437633	295400	348181	281686	1088625	165337	299326	251925	308038	301159	496531	1648817	1	378448
Dinoterb	17918	18946	15722	17390	18932	17145	12209	15847	15279	10953	13734	11771	22633	15095	16330	14860	21418	14015	22447	20253	13267	12780	13346	13748	13954	14141	13637	15191	14267	14345	14995	10744	12088	15883	15201	15426	10657	13247	15278	15722	13941	18928	13073	13042	10904	13734	17489	17243	16203	15597	14702	13061	15745	11079	13491	16627	13540	16396	29406	29622	21601	25719	24758	23734	23221	20791	23408	21759	19719	24548	25537	25763	16331	20322	13889	13803	105458	103164	13628	13848	16991	13442	150958	135942	20223	13527	13733	1	14615	17098	14020	12410	16191	12946	14974	15711	72095	69790	14407	13383	40819	35743	29090	27387	15778	16610	17978	16578	33008	33824	18204	14600	235172	13268	65389	67207	13574	16738	16256	15662	33217	31869	9908	18038	43278	43123	15314	12905	15285	14893	12837	15097	14639	18591	18275	11740	12534	15138	24786	20651	14478	12523	14333	14983	15666	12297	12546	12447	13124	17348	15285	16462	13122	15336	22614	22902	17402	17988	15937	14803	12639	22336	14016	17346	19835	12647	12317	18946	16436	15941	13544	17104	20086	16648	15158	15053	14105	14026	23822	18684	17888	19045	17058	18861	18076	14816	21479	16210	13235	14936	13707	18629	16603	16799	16070	15208	17312	14949	16160	14452	18671	19149	23081	19189	19005	15598	19668	17215	19273	17756
2-Hydroxy-2,4-pentadienoate	336507	297099	179927	219647	159953	170153	211354	218654	281412	278531	157620	175114	206648	229596	254949	221126	233886	246091	272931	244938	186805	189350	302978	315973	206970	236262	238733	229517	251264	234448	238215	217102	286610	286189	271650	276282	230136	239916	245349	252557	266593	274516	214925	228789	271839	283026	265456	274318	204021	194411	149356	164746	292814	284119	199986	196770	419314	400905	131892	125319	90805	94796	293479	271370	201199	189996	113470	104889	80586	77631	200047	178935	91943	88668	125719	127898	1411092	3910767	4375611	4160782	3705154	3113484	2739102	2338467	1939681	1704503	1254463	1096271	1058945	979296	714260	649503	53299	280854	445118	452106	445332	432660	270664	254910	494349	498014	236643	286696	285260	330404	376459	403990	384083	410949	397264	390193	544294	501686	125862	128711	46866	58412	141516	143926	95165	79899	88137	84259	138682	119437	70418	71426	81342	82994	60847	66801	189535	171476	298317	280561	72880	78340	73612	93762	47343	52601	71238	67654	80061	57849	76458	72881	94506	88664	64287	60689	127109	127556	132297	113628	46585	47431	117637	137297	68662	59055	85355	83886	122009	117848	91684	97420	117543	126906	82568	83889	165689	177638	90613	98392	140136	146828	94832	87745	117687	96416	95796	95525	166311	175781	150324	159904	98530	100824	265770	257915	147145	152637	97344	98155	123383	144455	91009	88331	128689	139171	70948	76977	132471	138453	181210	186299	164004	166005
222.1245@8.538056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29941	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19483	1	21000	105315	1	1	1	1	1	1	1	1	33408	1	1	7823	50806	17011	32409	8896	14108	10228	37148	18529	18671	11205	34038	10267	15624	22242	26784	11651	10298	10796	1032508	23855	19862	6540	15496	15153	19842	11143	20281	16983	27312	19021	32769	18420	19809	23743	24005	22460	28044	23058	29867	16244	24216	14349	18467	10008	19522	22425	19562	13006	18958	16107	15080	19461	21426	22436	24465	24547	16821	13779	22172	20426	13267	6626	20402	26526	14829	13436	21071	19555	19924	16502	24052	31359	34017	32854	16994	20003	17431	9877	23518	26253	224680	129052	17605	14799	28306	18185	45111	34117	23881	24993	22941	13678	5646	19119	22361	25236	38607	32864	26103	26372	23904	22760	40827	19372	25048	25387	237402	8654	7895	21367	65408	33338	116487	28315	14079	26748
C21 H42 N6 O7 nullnullnull 5.3289995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	337829	369568	327850	350684	338780	329976	338944	347177	332600	334577	313766	313853	328838	311825	772861	713571	734102	723510	694464	713019	715975	702460	665276	696744	687687	694634	682144	674569	678352	668481	672428	679242	694899	702875	561600	735617	750999	740324	718960	707830	726551	748169	746557	734452	727847	730037	717268	723003	744798	735743	735826	751257	738107	757800	6957644	776037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.89351404	82943	170382	190413	98774	213541	435568	214755	155019	336866	148866	186289	119030	207645	151751	135202	286450	137694	175057	148146	124035	202366	171079	171859	96567	189324	153793	157523	173041	256792	335236	57986	155122	60780	102137	175202	226150	252586	80873	62719	150967	202596	162194	187466	171409	165525	232777	165613	183486	154967	163370	90388	111137	89283	176259	66858	77834	87039	108394	98829	19040	1	1	99434	129384	108508	111824	1	1	113185	124833	68174	89014	104380	168101	90401	184767	130545	88857	34513	111218	130796	77689	125749	83715	18290	132953	18337	182491	289549	25006	131584	58693	131430	112515	93671	86917	54516	14875	112925	103611	117205	112568	123741	121641	105279	103289	102808	92439	101968	105062	110360	28964	30832	92057	168999	140909	116196	113279	138085	139798	110349	48746	112097	90452	161043	131656	118701	119147	126700	119416	151430	139218	144365	135918	152584	131477	140653	169728	110167	127287	118164	128381	120578	130703	133482	112118	109634	106060	111814	105982	129580	135491	108925	111834	110280	117516	109036	110028	100690	95217	121212	135044	112337	106650	136035	102702	115045	113279	146519	124266	140660	92331	101465	99090	91958	124702	117118	94378	160923	146503	107946	123043	100757	120004	86693	90230	93295	102391	112636	96600	103416	102081	86461	100557	113941	124953	109769	122648	111094	118293	113790	111523	117335	150655	121206	124906	109347	96811	109774	106199
Aspidinol nullnullnull 5.2782116	63519	47176	20687	22685	18377	17614	22596	23159	23184	26933	25380	26556	49560	58491	66202	73293	45099	46868	28941	33047	33286	34150	49775	40735	21154	24210	22782	21451	24583	30050	1	16870	65635	48292	11758	8124	13767	9090	18807	15638	15639	21037	7751	18464	38801	36863	22744	25533	1	1	10588	8650	25876	24450	1	1	13025	31715	12199	9666	30120	43009	12596	11785	19959	13910	1	7387	14632	14251	28462	28712	19438	17877	10773	8861	20320	12614	39836	49283	75023	80502	72747	77375	30778	28212	32161	29555	39326	40872	30214	29402	23643	32663	44248	49007	83608	65066	25260	25872	60996	62196	28912	27871	30716	39624	11206	10025	65145	64171	37435	19961	47064	46484	68939	122292	14270	38271	50397	25196	14404	31807	44427	26015	87188	117045	33858	59416	182350	34245	52143	38262	31205	31344	118992	169714	144056	67606	76839	53218	11127	131726	92179	33911	108881	42762	106975	79972	141349	91639	14398	16718	18978	60499	31816	34129	38805	37174	84059	57056	20995	6280	16291	13425	9376	10775	10172	11952	38453	7700	10244	57244	30747	21005	16402	12771	44326	47067	7109	12640	1	1	6851	8238	30688	33335	27875	50341	18456	23302	18512	18076	13878	18060	21174	17818	26057	23790	10489	14826	19599	22563	1	29941	11343	16895	1	1	23024	21626
C11 H27 N8 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64856	63880	70054	74663	130827	134839	52609	51501	59293	58287	43983	49612	177184	177169	27071	25106	35187	36783	47602	44401	80724	80951	138886	144595	128882	134399	48021	51694	148822	147025	148864	141602	147983	147421	34881	39281	150646	147449	147966	144655	42620	39810	120020	114928	75718	75139	78349	76379	23981	24522	65384	67615	63324	59104	97081	92368	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
289.9172@0.8780528	122896	117862	97259	99098	175364	175195	101323	101731	153284	148142	198503	191276	133549	139457	92856	86829	125554	126589	124432	123289	182889	180975	72637	66187	166907	174603	150340	151531	90672	85306	330779	328141	338264	330596	375779	367873	361905	361569	277761	279716	347154	359512	331755	332403	191420	189289	255783	252096	348908	355315	301197	319222	261205	263190	422083	413749	308522	318557	207057	210821	159722	161556	134327	133378	230978	237651	236085	232298	193306	195361	95270	95194	203611	196851	237595	227262	199066	141546	81856	84737	48337	48380	82375	80631	128572	133425	75094	78934	76589	89709	94097	96427	114549	122483	101411	109618	105322	107940	182724	176198	119023	107692	147699	143907	147548	142343	205550	209500	119567	115517	162366	153763	162885	161013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
153.8895@0.872527	202663	193840	197162	195413	255426	256228	182780	177656	211963	204848	269657	261265	234555	234145	207182	207930	198118	198477	216161	206115	269997	273177	160513	156981	231199	243590	234381	235755	179735	179326	435517	424329	409484	418380	429496	433076	435036	433021	411366	402837	407652	404645	435434	438868	405176	404865	407802	412688	455578	450127	322548	326222	407130	405745	497339	491743	381797	401637	122918	118994	139460	141281	55441	56305	164264	167924	165087	172482	189597	183846	34561	35201	128857	132347	189585	187773	150782	140057	115317	119107	47944	50053	64496	65574	180496	177277	22053	27969	36099	38976	36883	39216	92821	83703	43874	43775	54089	59333	180608	183067	72541	67789	135926	125248	143949	130000	230009	231128	135697	142660	164169	155709	153572	137710	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
313.0262@0.8450533	39497	38585	23391	25435	11160	13345	28719	29556	20989	23663	18504	16729	26360	26751	25559	25680	34039	36167	27997	29975	23041	21431	32797	30344	15424	18513	35766	34564	37675	37223	1	1	7784	1	1	1	1	1	8304	1	1	1	1	1	1	1	1	1	1	1	1	1	8208	9513	1	1	8515	9790	77191	82865	88565	94045	150515	148234	53701	57729	78784	87480	148551	138101	162767	158991	95929	82879	97613	95299	58491	44478	47014	59624	123373	130973	136975	161309	139430	153875	150858	158430	165551	180273	223532	219111	112710	148848	238988	247326	270284	273394	82200	85770	224214	220935	108451	111497	137660	132083	158702	151033	140358	132421	115953	117408	151294	141439	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Benzothiazolesulfonamide	137087	139469	432521	424308	298870	293290	378833	374017	382312	378421	324985	329109	183034	184894	398910	393051	174492	160990	392717	415705	62214	65318	68506	67659	58840	62385	35991	35574	32763	34363	119002	121255	112208	115584	112338	110546	54458	57931	66329	69556	53091	52961	70154	63940	49770	55880	61675	64172	109326	108309	48763	51123	414396	408757	354446	358932	254826	254303	73315	74757	48513	50587	40709	42732	18964	21579	24421	27403	38603	39772	41462	37247	74901	77741	91022	94188	43188	45149	41528	46042	50461	52579	57686	59768	154958	156940	104167	102484	224721	229358	44788	47478	73696	90425	263609	254906	149203	154841	83731	85855	215676	215448	41420	41153	114646	108223	40666	39232	34138	35586	34986	34468	48939	49802	111368	110559	87162	87278	78332	79220	34253	34720	29369	31973	47012	54718	53331	49822	81400	82124	76475	79163	46190	49266	52630	54039	48847	50199	94875	99511	113998	114060	237394	231625	221683	211204	108725	99361	236497	243216	200766	202132	246188	244094	131631	125354	238218	250538	317419	311129	102297	106331	15269	11822	61534	59252	53613	49170	50065	49174	18990	21915	26475	25085	44305	44368	31143	30999	55442	52869	55445	60353	74105	73946	176341	179018	207111	206046	107753	98985	86680	87349	213975	210001	206233	198282	81062	80933	256750	244151	254158	240628	203099	205080	218116	232795	66326	69607	86721	86563
C10 H6 N O10 S	163114	156038	153284	149024	163801	169579	152323	155362	163122	154705	170127	166131	162381	159643	159573	161465	150877	151322	158581	160381	172892	164885	154014	157436	181680	192025	175036	177231	163764	164408	213923	205328	215268	213632	223273	208218	215703	211957	206407	216985	213760	215220	211920	220626	218552	235354	222958	233156	216713	241999	232672	220693	243177	241732	226643	231564	256180	262227	200228	197708	206884	211420	212996	207932	209673	203347	200046	196272	156466	154716	148114	147106	241116	215867	228311	212246	210846	139522	139448	153591	153656	156799	174949	183931	150720	148983	128939	125625	159259	166255	162515	168906	149439	218374	212233	207254	228229	230915	252123	265291	250310	235526	265108	262604	263139	258953	218871	214672	258839	255376	267891	261174	347538	280360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Zedoarol	83603	83574	42637	41174	35115	35677	46855	43792	41983	40967	48396	46219	85133	78596	118041	102217	65537	70973	54068	58945	53011	55974	50986	50000	29251	29162	33011	32142	38092	33948	9289	10784	17012	15635	10930	14292	20306	18771	31296	25339	32128	28914	16609	12695	16959	11262	37068	28840	1	1	10181	10816	45314	37896	1	1	23077	23880	13310	12808	33270	34514	15795	11789	12430	14916	1	1	19392	16426	27005	23285	22479	27308	16040	13443	13615	13958	53976	51934	112461	102170	93625	98323	38839	40813	29304	27577	46864	49795	36399	35215	32078	30051	64130	55969	83449	90565	37718	39281	80854	81709	38794	38375	49639	47930	13100	11382	86576	79581	35555	30949	57327	49985	35106	34932	24543	21978	30905	30223	24475	26327	16783	16453	27100	25453	16681	16366	22682	20250	12412	16936	31190	28942	36172	33698	35192	29169	15446	14144	9155	10512	13967	15799	22975	21863	12910	13020	11003	9460	19917	22405	17967	16218	59619	57480	10847	14730	29900	24952	20066	15537	19879	20555	13952	12440	11465	13377	12232	12929	8098	1	28511	32309	15876	13539	44137	48026	9802	9752	1	1	8644	8793	36469	32833	34590	37693	28416	26114	16321	17257	14355	11836	19949	22561	23610	24105	10281	7718	26491	24500	1	1	13268	13858	1	1	28563	21719
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40638	44931	48813	48714	64181	66323	50774	53067	22406	23173	16886	16670	172003	172103	48440	51572	18768	19229	46116	47219	48016	47024	53142	50302	65439	63577	41639	39783	65299	103975	150249	152914	102814	98795	16980	19027	130466	121003	193924	195014	59359	58366	327938	325302	38887	42277	41781	41040	11226	9840	64439	63421	51659	49879	61560	54248	8037	9774	1	1	1	1	1	1	11429	13697	1	1	1	1	33825	32015	12190	1	1	1	28260	25892	33910	35100	1	1	1	1	17555	17210	41248	39830	16508	18160	107169	102523	34166	34196	34666	31451	14937	14787	70610	67426	1	1	1	1	102624	103033	64097	64551	41941	41951	22315	23150	81225	82101	79411	76824	46862	45736	49647	49741	16382	16714	23273	19510	27845	31642	142827	137459	75366	74420	12251	16131	120197	114959	40131	37406	24653	21975	37294	26234	12959	12007	150583	145828	23296	24553	87400	58066	159987	172002	69312	44226
133.0216@0.9453457	74449	43545	68520	58178	69589	55635	75158	73995	78792	74623	63810	67883	51222	62913	38603	54977	87040	51189	71172	41916	56289	57565	42154	65975	75590	80799	50092	65259	73061	77982	70749	68722	75117	75582	65189	63221	73682	70450	52340	49361	65348	70956	61323	58611	52164	56311	54989	58352	57183	67744	60401	57836	63933	64204	75025	73991	75881	85122	143104	137798	128733	136830	132792	129807	148824	147742	140450	151586	147132	145680	122802	119974	129664	123873	146942	146515	147678	158280	133898	147203	1	99055	126235	121597	131864	139029	39894	87376	98045	45128	116714	116584	145828	137755	132364	55886	133261	124236	145864	146873	125064	119360	145230	151528	145283	142473	149495	155601	128605	134573	143037	135044	166562	152998	84089	80155	89868	104343	91817	86302	100443	98431	78258	82783	94967	92176	92234	96787	86988	89667	99523	99293	94167	96189	84922	89241	96743	95720	101035	99485	116170	109817	90804	90622	88401	95587	98041	99239	87224	83982	102490	97334	83297	85654	77056	82267	78091	81057	110425	116730	94232	90478	76492	70123	58183	62972	69512	63935	57405	61579	72277	74821	68627	71507	67854	74297	71622	70373	67847	67549	75446	75482	67458	63666	70695	74160	78294	76685	73731	76782	63174	57987	93479	90548	66337	72860	89152	80125	74028	69300	72700	70129	63182	62189	72802	72637	59984	58933	72650	75904
Bis(glutathionyl)spermine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11493	11145	13412	11330	69704	70485	7041	1	7043	7614	1	1	159011	155438	1	1	1	1	7929	7384	19032	21718	106104	105263	72518	76780	1	1	237909	234693	144283	146869	126919	127021	1	8276	161447	154723	103333	103061	6982	6690	65616	67808	21109	23099	18395	20549	1	1	16518	17022	13058	14157	32556	24289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H5 N4 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10967	12271	10231	11691	10604	11153	11571	12728	10157	10646	9688	9041	9264	10242	9405	8490	9189	9621	8815	1	8713	10807	13167	10474	13596	12670	11646	12498	13736	12782	12223	12113	11431	11972	11686	10431	13079	11189	12678	11874	522943	12814	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10016	10835	10176	9728	10206	9507	12448	12585	11844	10354	9101	9466	10614	12268	8340	1	1	1	1	1	1	9246	1	7918	1	1	1	1	1	7893	1	1	7528	1	1	1	1	1	1	1	1	1	1	1	8728	8546
5-Hydroxyindoleacetic acid	321956	336734	305104	304087	128065	125378	294731	310011	319926	296565	157863	159462	257056	257504	202076	215541	387467	404331	244624	235914	223326	222940	360860	355617	130996	138245	205097	210957	342866	353980	20902	23980	37355	33986	46619	47567	38150	34535	34554	32943	53625	56418	34410	35918	29024	30656	50389	46036	9487	10222	20806	24112	140951	128518	11898	14226	98552	98263	18751	21574	34145	32231	29783	29374	17581	20969	12392	12762	38433	36491	91831	91265	34838	28483	24019	24167	25630	26579	57641	59181	92238	89191	134051	140539	49123	51798	142865	148676	96010	99586	65978	61919	13827	17712	130810	132803	155624	155081	44292	43288	242331	234856	31923	34636	54793	54713	55709	52756	66581	65811	66759	68719	48023	46099	18366	20224	14971	16975	21874	24913	29715	30229	1	8076	18655	19527	34988	32848	20045	19011	13475	12305	20676	24063	33435	30163	23937	22498	15182	13155	25275	24402	15886	18911	20975	22251	13429	15375	27189	24522	34675	33091	19350	23505	52477	52728	20229	18787	37399	35935	14691	16147	27248	26661	18354	14253	14229	21917	52322	58503	20981	22473	52824	50531	13342	9110	110945	114099	23688	22487	10613	12402	13524	13581	126851	129951	68928	67922	29376	30094	63010	62875	32204	30168	20261	18206	37079	36251	10167	10230	66940	66419	28948	33726	34154	35522	18755	25935	33040	31519
> limit nullnullnull 1.2643359	134249	98635	152801	151346	121800	138194	165127	131695	113230	109342	105098	88474	124489	70387	160475	116504	112500	126548	112059	96842	98476	117715	136948	119948	108551	143487	117116	114221	184499	177151	33955	29168	31264	36647	27793	28807	31525	31733	40117	37802	108373	46870	42708	37270	25953	26070	43539	44219	19697	23337	8233	10282	52107	60764	20448	21188	32951	39762	33780	50144	57154	46724	82822	120689	33755	37492	50380	48499	41540	53795	188017	194550	35754	41309	44141	49926	33469	38410	63895	43919	103429	868410	87992	142040	40460	50092	166534	182244	212275	110967	192139	136745	47945	51036	92025	393480	201453	100972	55992	52708	99654	113853	59981	61535	80547	70179	40234	41213	501209	48685	53905	77307	129559	73274	95805	101986	82837	74717	96370	95992	72766	92370	69585	52186	100676	90831	81579	77214	105894	100084	95620	95071	102201	111763	109145	106488	100430	111044	87924	106393	90685	93320	104257	104861	88397	104285	72325	72190	59373	59752	88527	86736	80995	70477	93663	109514	66752	65041	121041	113728	99706	101959	70560	69545	23496	28094	25626	26087	21601	21677	13997	12043	40872	47083	24507	32446	27583	25751	24230	21691	37083	36564	9697	10571	37114	40963	54660	58248	23705	25128	43204	44966	47841	50608	20457	18114	45920	43111	22985	23080	43522	45080	18123	19357	42309	45833	48821	45408	37468	34184
C3 H2 N4 O4 S	77776	73753	76173	74624	83847	82894	69021	69149	90048	95621	86519	81031	75874	85817	53011	54781	99650	91856	79721	80037	77422	71738	54883	61620	79859	85246	69220	73671	61631	66003	95174	98282	107434	111676	101253	98540	95037	96372	93569	92149	98270	102789	84449	87378	68734	68892	74432	71902	80272	75071	46933	46838	77315	76655	106750	104685	101634	108595	83098	87331	66622	65618	87557	82303	79941	81025	88825	84880	70013	75344	86317	86226	66047	58372	98327	97005	94707	91769	60553	70948	38436	36932	68609	70592	72134	62399	74897	79160	61420	67120	75164	69874	31701	41635	82271	84352	73745	81512	77524	80396	69539	70208	72329	71449	75070	67601	91295	90142	60358	58390	74655	79151	92881	85009	122234	114357	125028	115693	123912	122496	127006	123874	110375	97951	43689	98858	100756	103985	92066	90300	116305	110563	93413	91764	94218	97680	113789	119193	111714	104598	103055	102968	95873	91700	120949	117375	96156	91273	125734	116858	119012	112461	104811	99487	76568	78719	96902	95423	107555	107999	59165	90130	98351	90459	65189	58696	69115	64139	71928	65936	83082	86976	72691	63910	77604	71755	64708	68876	55516	50367	62286	58104	52866	53503	51707	57486	58586	55995	63198	56960	49598	48339	74148	74454	49706	52789	58516	56868	56848	54633	61501	61151	44573	55133	54750	50113	42608	40694	49721	48305
2-Iodophenol nullnullnull 2.8386724	251127	210328	191501	220092	163270	277807	287410	253975	192364	341323	107967	323625	210584	267689	73192	263055	149832	170105	159709	72664	224009	136505	246599	180750	183136	177684	198289	148176	1502574	209835	261814	163467	479277	420654	138638	161405	181666	109791	403119	122783	115923	651748	173681	108911	213191	95644	88669	395249	220386	83616	77682	102544	1	148601	220273	98889	236183	331774	1	1	114037	1	1	1	1	1	128966	1	1	1	1	1	1	1	143861	227143	53591	221728	57813	421325	375897	95929	154579	262226	363099	81514	227769	298891	336996	341460	354125	316932	1	315697	303338	329681	21182	126074	106433	215475	521238	252710	129491	252024	207666	354686	74580	163068	119567	318664	125046	112421	54495	412083	429317	405211	324341	127723	278270	340272	375386	272990	118643	270364	260058	312248	85211	226359	258381	319157	301263	290697	113106	345301	192636	473623	485127	820368	486388	474151	304460	370374	332431	542506	295662	712656	302106	385603	336707	390038	263117	157742	348158	175198	242652	409255	363722	519963	426720	481946	204663	355010	423315	371698	166651	216287	153908	387978	179740	178596	205389	141373	202321	154492	226243	133989	146871	162454	216458	134443	206333	182613	315322	124194	225918	242408	188449	76602	166384	82375	177936	159950	83190	105925	125911	106050	100011	209177	365553	314423	258565	288197	89987	62143	147209	247192	156607	295939	112262	99026
2-Hydroxyethyl methacrylate nullnullnull 3.9167826	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23175	18568	17542	24738	100013	86838	19306	10067	33763	11252	19532	17223	40891	39020	30899	52077	28518	36137	14527	33565	21363	47083	39463	67872	52582	34552	19800	12321	10256	15231	68248	15877	43732	40167	32413	1	36627	22336	75672	73345	33315	21388	107732	163966	40884	14998	36677	42704	27121	20145	34457	52896	26378	22079	59800	17118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0196@1.5365709	270261	305754	262723	246271	135668	163514	250842	247529	253575	275564	141183	147364	200561	197087	182864	215865	195712	239734	220298	223657	120860	132549	265044	286677	160024	156123	197518	193721	256239	240458	27789	23365	35184	37773	47335	37146	1	1	50595	51449	36601	32564	40780	1	1	27101	39597	50409	1	20701	18229	1	1	76894	21966	19562	36016	1	490334	468768	116682	113610	367318	414599	338512	331656	131331	135408	65337	1	1	1	1	1	290759	303726	233234	256544	408533	435652	1199806	1132556	1058555	1053456	68365	1	1664713	1737930	1389193	1352319	1465415	1430764	1	1	517788	552975	1401886	1372182	126334	431203	451600	413757	142982	132104	167494	149775	1	1	161077	172569	146663	141263	1	176270	56215	1	52169	57649	78299	73858	88793	97631	46577	43554	1	70974	77495	69065	83650	75175	88186	87054	101220	49421	71139	1	1	1	84809	96353	38845	48778	81060	93264	60886	68002	63671	64612	44626	40616	1	76381	17766	56014	88215	97956	1	39233	129975	129566	109810	35357	65686	36131	1	14386	1	1	33628	1	43735	11399	37081	1	1	1	16780	16387	10794	11285	1	1	43632	11599	36802	37797	815061	50303	1	14876	41127	32276	42026	41147	1	1	33353	27764	16250	16987	32250	33595	1	1	28513	33544	48105	37142	26991	24437
115.9969@0.82113177	1116588	1129723	1139490	1247979	1249488	1250649	1057920	1046954	1592164	1436755	1308573	1305468	1256002	1183447	817743	820238	1594831	1509327	1315124	1275688	1158255	1187874	770041	896598	1325206	1413581	1168132	1144864	1006115	1024568	1810311	1690586	1947038	1935388	1799197	1775738	1840713	1866076	1624397	1618022	1843284	1813370	1576684	1607132	1119884	1168302	1369157	1245209	1603583	1640747	984036	979826	1553929	1534271	2134349	2140108	2031351	2045902	74371	98722	104973	92550	108976	107015	83066	98594	100434	102595	111492	120621	65562	63196	98898	90310	88756	95202	121147	114824	62020	128670	100918	96480	63891	68893	126639	85712	67680	62845	66141	71932	90152	70613	73477	90819	75948	74359	75873	111481	122249	118819	105562	102175	101866	102991	83357	96897	120514	109398	99356	124658	120109	101967	134719	106241	95987	106085	112682	122564	104466	106725	97995	119132	103286	94085	90517	106733	110514	120314	87156	98881	112223	115193	116783	110254	115047	91736	125483	139956	103376	114517	110983	116857	117447	93533	127882	142663	116831	121421	129752	123720	117877	108553	124709	116815	107287	93610	111002	117515	114222	129100	103175	116976	113126	114315	90473	87579	80002	69961	98536	90904	94277	91543	80632	80112	77428	95821	94327	94151	101346	104488	117779	85870	107770	106612	107381	94225	84621	99714	120222	104664	92817	98503	119608	91776	117651	109032	99515	100580	111407	105865	105255	107076	83451	107883	85506	117674	95380	106610	100936	124033
C7 H11 N4 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20958	19543	19677	15386	96917	91688	14427	12539	11147	9899	17402	18255	82174	87677	28335	19039	34186	32704	23228	24169	59198	75805	110377	108981	65962	80566	25997	23349	240881	256681	181983	184884	153948	156779	16424	32355	246563	240929	136606	139731	70029	64652	197611	182058	54721	60101	77687	83420	32637	34198	61895	64320	66569	62491	113044	102200	1	1	1	1	1	1	29834	29570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22512	22228	1	1	21563	22353	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12907	11765	49504	54677	70833	73774	52028	46410	47682	51617	225305	214430	76034	87141	87482	89077	47902	43439	107820	106982	32603	34736	148840	154264	245631	261488	81265	73338	143572	159923	227746	1	38845	32629	200443	190384	45794	51633	1	96551	1	1	133266	148068	172350	155527	157415	152942
Cascarillin	34925	35619	31905	38031	22191	19244	37666	37833	23863	24695	32072	30108	31199	27940	22407	34510	36071	35870	38085	39891	24666	29615	39447	49288	31383	31684	30956	31736	47309	48271	19936	15652	24115	24534	21539	22010	23801	21862	23301	24914	29402	27493	20345	18889	28508	25204	39207	36693	8829	9088	8124	8306	45145	47754	11445	8518	41149	40810	12348	10453	10033	8545	10691	8586	1	1	1	7036	1	1	14457	13525	7668	9186	12575	10958	12174	14997	24613	24174	11480	10337	20230	18315	1	6996	30234	28893	21249	23958	16519	16259	11530	12783	20025	19376	30519	32987	14829	15685	22845	18688	8543	8071	15021	16377	1	1	16657	17281	16490	17353	14115	14184	13246	9309	21268	17948	26854	25184	25278	23900	12271	12664	23697	24085	23173	19764	18011	18426	12857	14540	36217	34332	26365	119204	18091	19500	26164	29628	19818	21788	22551	24490	12439	16313	21552	22182	15142	14477	20589	19874	12636	16363	37327	36033	13261	11906	46753	55010	32842	34726	9828	11039	58003	61214	12308	12776	1	1	9323	8357	19497	19764	25980	24204	19143	17594	42384	40302	110478	112546	53205	52841	16295	19046	42547	44475	60761	64935	12782	14117	29802	32798	31347	33143	19531	17586	18066	19888	90413	96527	1	1	96109	103997	19113	16060	16786	18513
LysoPE(0:0/16:0)	105105	81382	15951	26023	11412	11482	12290	1	44771	27038	36544	40716	97223	40599	107911	61707	338421	65962	110192	49685	63039	94258	10325	1	34862	11225	17562	10364	20538	9791	14093	13347	15424	16711	1	1	13539	13120	248237	174882	19748	17422	21962	22933	70532	68091	112884	53761	14588	9898	1	9147	132503	42932	1	1	21212	22481	13640	8224	1	1	23785	1	1	1	1	1	1	1	12816	1	1	1	1	1	9579	1	23329	17887	224364	58793	14823	1	7582	1	1	1	1	1	11141	1	1	1	21770	1	18793	1	10167	1	46305	23790	1	1	50384	1	1	1	19707	9324	8829	8399	42990	1	1	7905	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11324	11403	1	1	1	1	1	1	1	1	29809	34377	32533	23227	31084	18021	15654	9376	18853	1	159236	117199	11176	1	9331	7971	44484	28126	11505	12923	19465	7904	20020	8514	15094	13608	13620	13578	9948	1	13635	14664	19845	1	11741	9786	162589	14022	9222	7585	28236	11268	77651	134972	18225	9639
187.9415@0.8351348	156028	149099	148166	145466	152723	137901	147199	156150	138408	141387	134460	133105	148383	144070	137447	139679	165029	137214	147092	138323	143938	130103	145028	130849	129679	135839	145828	142247	143660	149252	118499	133512	111395	125896	108289	116240	105083	129663	114322	112941	103800	120872	101733	112207	142085	137164	132501	127045	128292	144789	63252	66892	118800	112530	116967	114351	122956	112667	217294	222440	180427	180537	185869	188050	188444	188098	191414	186084	194254	185848	250133	234912	134087	131987	152470	140160	153241	194919	227151	217376	215773	193916	216266	208715	169262	160798	186336	162866	163283	179304	176724	185323	115379	111013	183656	214935	172553	176922	152820	159102	170795	171687	167367	169561	165562	160705	161207	154948	167874	167771	162452	160874	162180	171679	42243	32054	28015	24513	24042	35885	33674	34445	32469	22893	21498	25464	24304	38546	27443	28606	32673	39935	42557	40224	24720	27943	27256	42617	48020	39355	22273	26778	48231	36353	22778	20088	29332	31152	46697	32064	28886	47953	29264	38528	31447	27609	37196	32865	37916	41545	44890	39261	29477	34624	22879	27279	22941	22750	26965	25591	26690	34210	72413	75247	26518	27748	54013	56959	41774	44244	24276	38904	29284	27069	59265	68805	95959	98893	33507	32354	62134	65566	84805	78678	35309	38547	71236	64823	36118	36777	56823	57619	39416	41873	44055	38019	65092	66636	69915	53600
> limit nullnullnull 1.1839992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6457	6866	16633	19740	97648	92554	8650	8818	17539	16035	7686	8157	169655	169569	1	1	5871	6350	6688	6303	20131	20972	91547	93600	24476	24587	10169	10551	229780	233985	149857	151823	136484	134339	1	1	182139	182437	41030	42741	9964	7673	73668	72023	25099	24400	22325	22746	5797	7162	1	1	5755	1	28095	25574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.1393@9.036004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23683	1	25172	12252	1	1	12714	14356	15745	1	1	1	44832	1	14168	18212	13614	37696	24911	20933	47263	40647	160995	65302	52166	31980	31325	24093	44360	53311	60465	26774	13787	14077	12397	29059	30892	20411	30010	16874	37695	30227	45349	36906	1	34513	61934	33625	27336	58717	40988	54680	27945	35448	1908042	46145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
356.8489@0.8725799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	140391	139817	145117	145245	104208	108634	180634	166678	184258	170609	145458	153817	82004	100483	110171	108509	174139	172642	180420	168105	137772	148044	77456	65605	107658	104468	145417	142378	76498	68490	70895	72910	76219	80472	83048	79805	95331	87060	105526	99539	169928	176979	117957	116989	144410	145037	156402	157837	174629	175935	136156	145543	165646	161993	179525	165972	171722	168314	184590	187136	143382	151371	197199	189186	154115	155083	198067	190084	192792	188834	192624	187136	184550	180529	191874	194982	183110	182646	201592	197465	181512	191776	199254	200025	186510	192295	193973	192227	178164	185774	168749	173282	200260	195316	180706	174357	134639	140536	153991	173262	157904	154076	198151	199519	178009	179189	67508	64990	73231	66986	66761	68862	98579	88536	86082	86369	73922	78510	124422	124015	70424	72494	82877	81362	62595	65590	97324	96824	98773	97772	79141	81853	91486	92334	111290	104657	76451	76329	89380	91383	73924	72859	101663	96464	117066	121272	97566	96978	96066	100443	99361	95402
105.0292@0.940965	184089	196002	177172	179839	211206	199542	172311	172182	220933	214367	211661	207038	192196	196017	140487	153427	222040	218259	197574	205293	196395	189500	124297	137641	207644	227340	173354	178306	132675	143683	312644	315626	297735	306034	258270	253661	286005	288691	199008	200676	294973	295597	243035	245360	232799	235070	221144	220795	264446	274203	216192	214739	203227	204862	303927	298629	297014	317821	190854	191491	165476	173495	193017	186643	215813	209635	212620	218291	195777	190505	176594	171808	175981	172973	229750	229860	239963	241103	187150	189414	113564	110228	157323	160688	173638	172016	117591	115447	121811	126313	151860	156287	163512	171603	183850	179789	202676	194620	210392	224474	183545	183302	196816	204577	219732	215698	246915	240164	163279	165445	198467	197465	208742	232847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
242.9297@0.8845094	113782	108809	106439	110184	105890	106369	102074	104770	105334	111210	100479	99166	109564	113754	103391	101952	103771	107347	107033	103574	89468	93584	102410	104852	103748	110475	102834	106268	103539	106240	68274	68272	79240	79248	74661	72885	59448	65982	79671	78498	94186	94652	67537	72563	81001	85701	81773	86843	45517	48434	61362	60128	99298	98711	25547	29486	126569	130987	159940	162498	173894	181506	127077	131683	183423	185832	176616	174854	143465	139134	83525	92853	159574	153731	188543	176557	186708	161885	153989	171022	111854	111239	133589	127985	135444	130815	64661	62656	87725	94131	98118	101614	143145	139861	112648	106736	137300	134517	204001	206078	155595	163244	202256	212447	204887	197709	155841	155384	199371	197570	205807	202790	243906	221961	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H33 N8 O14 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21812	23223	16978	14839	60805	56103	1	1	9169	7751	1	1	52542	57294	1	7844	10111	9131	9342	8945	17592	18142	27988	27987	48482	44683	1	1	235595	231620	137842	144650	40371	40890	1	1	87530	81655	69539	69854	22333	23224	91220	87391	16674	16722	19253	18921	1	1	40904	42627	29875	27291	30693	26432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H N2 O3 S2	51806	55316	59670	53706	34155	32522	60054	65349	55731	56157	35373	38088	48682	49109	42834	42528	51185	53979	48402	49968	28817	31533	69540	68534	44033	45185	44816	43185	64053	69744	16720	20449	21330	20063	18825	19717	19329	20827	21491	20889	19223	20786	17409	17284	16034	16632	18402	17197	16177	13383	11955	9414	21695	22005	17582	16867	23681	24716	58400	55994	62216	60643	161128	161274	36931	42706	47032	43102	28237	30945	207103	214347	32702	30683	30167	27755	39943	33544	58337	63449	176271	175694	128690	141128	26788	29527	242585	245709	193525	203844	205329	197128	83582	76871	203893	210485	158142	165451	45113	40410	141934	142580	69206	70491	69375	71397	18739	17998	59573	63439	59280	54646	82236	76792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
358.8467@0.87926203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	161252	171134	163871	174318	97604	87986	198215	195708	196625	194618	169237	168144	61163	58028	131570	136615	207425	203374	208872	185363	156627	152828	68317	66394	103427	95224	164464	165056	35701	33700	50667	52474	63157	65097	89424	92887	64324	66162	93041	94365	198699	209447	110770	107774	161804	174666	180521	180497	201389	196894	172062	171429	203612	206825	211160	206380	147532	156396	151735	149881	136767	134637	171512	174797	117460	117041	172060	166505	167588	175800	174254	172761	157967	163900	174027	179023	167304	170571	176650	168468	169313	166509	174893	181132	170565	167281	154067	149936	156534	153946	124704	126435	166103	167957	142405	138112	129151	123753	113196	116897	145266	141662	171177	174928	127757	124437	46812	49276	47598	45377	53648	54129	50681	50385	80339	80163	50672	51740	98005	98605	50693	47751	65932	58769	37080	39562	89473	93651	99610	98767	62941	56915	81835	84105	102764	99307	51971	55409	88865	88387	50889	49261	91143	91401	72520	73033	85763	90130	91601	99912	91430	88873
275.8973@0.8701139	120025	122691	123199	122588	130823	128129	111541	114999	130748	127889	131759	119686	124266	126436	91292	88898	127129	122665	115509	113601	123252	119362	94242	94670	124631	124428	117016	112905	102034	105217	183050	175184	198065	195444	186767	183027	193199	195719	154775	155419	180592	188638	163651	169641	151889	147237	157828	154651	181492	189039	91921	92526	144612	146099	232725	222445	191204	195554	182007	184972	141387	142995	159777	152360	171143	169300	183761	182022	146828	152717	161850	154415	139894	135611	201340	195206	194258	177057	122614	132308	98888	100238	134498	134687	133420	138170	140389	124068	133456	144903	148261	153541	109604	115275	170570	168369	167436	154299	183972	174744	166703	158220	161267	166661	167792	168509	204488	205092	140371	146952	175722	176515	207362	193549	156275	163368	184954	194961	203664	195134	211954	212721	191704	189759	185167	185815	177946	176704	73657	154431	193542	192792	84141	73883	154780	81242	200398	193201	173085	169810	207046	207218	166019	166243	218618	220887	170478	176865	220024	215751	204864	208841	187016	189980	125703	120750	178225	189006	189990	197860	168792	174838	177248	178053	59307	101649	118193	131380	103857	104397	165060	159410	49222	112941	140384	139712	71208	124977	126791	123925	131204	132936	130654	136670	47953	118360	65722	132044	146583	137226	53441	102344	162453	164406	71491	122113	60678	66155	64004	126704	52078	118509	71666	72239	128005	59545	45322	40831	108202	117059
353.913@0.84730655	7022	9514	7278	8976	8045	8382	8195	8751	8281	7161	7659	6658	6898	7151	7604	7516	8717	8302	6921	7270	7031	6344	9788	8668	7463	7860	8700	7917	7636	9476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7291	7733	1	1	5749	7410	1	1	1	1	1	1	1	1	121650	115867	112043	117933	70567	86573	150705	140368	144154	143427	136102	131923	86853	84330	101080	99616	142317	146367	123530	99834	84128	80588	65117	63534	64995	77628	110853	110634	75626	75887	63687	71211	76416	64977	71502	64915	82660	83931	79761	82015	131747	128581	84521	84999	100000	108671	100461	99012	134924	134579	94808	104346	110655	94619	108629	106909	34513	37940	37324	40207	31094	29839	38769	41225	38755	36899	36087	39334	38719	37047	37049	39415	39914	36041	39698	37315	36664	36992	39255	38236	36095	35395	41527	38215	39929	36275	39536	41423	39050	38677	40115	38632	39681	37930	38793	33501	24922	30230	35792	40468	30494	29613	38953	36516	38500	38675	19689	20833	19233	22358	19795	18017	30480	31350	19162	22073	20507	20621	29199	30361	22958	22193	21294	21263	22656	22925	20310	18212	22425	25115	21825	25172	21060	19008	22928	21311	19953	23093	21602	19918	24187	23659	23435	21419	34096	33363	22622	20523	21901	20748	20513	21271
407.8824@0.8440775	113201	109526	129132	119724	86432	86828	126851	132473	118717	110282	91811	90423	110008	103756	95353	100001	119165	120196	109142	113096	86893	79794	119565	116889	96544	98944	103300	103818	126924	123785	22552	24262	20780	23615	20700	21075	18616	19352	30271	25974	23477	23448	16354	17427	22928	27352	28020	26850	14455	15046	11382	13766	32506	31436	13810	13739	29135	28281	151680	151722	144216	144220	197698	194372	123964	124334	117962	126030	101197	99076	217966	221688	82606	91959	94865	95090	98271	94139	109363	121254	151518	162337	171819	178326	87610	85654	174084	179018	181295	183119	177117	183746	129227	127593	199813	209142	197916	204718	102586	114298	182834	187649	134760	144695	135913	134266	82044	74757	139054	137985	114432	124851	141519	151000	36945	34283	33166	32168	36174	37681	40378	36653	23869	26528	41616	37645	38068	37444	44305	42920	34830	41650	45717	48156	42550	43577	38428	38232	44506	40713	45952	43119	40314	38314	32496	32741	34802	34793	29179	28970	40122	40826	30150	33945	49550	46851	26482	25776	55864	50330	43656	44409	29748	29484	29873	31799	27740	27755	31593	30293	19086	16360	52500	57083	31749	28062	33622	36848	29983	29746	33334	32258	22750	22161	43130	45447	71638	70577	29824	28614	51617	49162	57487	62471	28934	26672	58202	54648	31533	31324	44003	40704	20769	19479	42273	45484	48942	43421	50106	49601
284.2713@14.028061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11711	1	39542	15119	1	1	1	1	1	1	1	1	1	1	34245	37763	58370	52794	56465	52675	57098	64293	93828	44241	59969	53147	150183	73590	63171	54368	97254	73346	56102	65022	198821	66960	123197	138982	121138	120277	137527	135446	131257	119332	121132	124583	127601	143333	119304	137772	151589	140728	125242	119084	159141	147312	134395	123796	133143	120720	137338	130145	150679	161533	147084	143088	130574	120638	130664	132184	115230	107663	130513	148429	143552	134899	209381	208198	130422	119058	156762	152308	159168	159360	129649	128382	192037	204672	230305	187960	257098	186128	167075	175008	173757	159678	421092	369847	210007	194934	215358	187895	257476	246874	216910	211908	232918	193497	233882	195635	204702	205007	205784	194902	205919	204313	229103	203029	237355	195649	227521	215281	21780	232904	220104	218753	238952	217420	312436	397034	252836	224274
629.3544@11.885017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15041	1	1	1	1	1	10720	1	23625	1	1	1	1	1	1	1	25844	17978	300314	98090	30806	1	10090	1	1	1	1	1	8974	1	1	1	28521	1	26189	1	1	1	36468	15519	1	1	67544	1	1	1	25401	1	1	1	17134	1	10231	12472	14493	11165	1	1	1	1	1	1	16394	18097	1	1	22351	21826	1	1	29689	26268	9787	12952	1	1	15964	13736	21762	27575	20644	18210	1	1	13509	14665	1	1	1	1	9826	10579	17608	14225	1	1	1	1	16840	14981	1	1	1	13672	1	1	1	1	1	1	1	1	54328	47517	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41194	1	1	1	9593	1	19050	45839	1	1
Succinic anhydride nullnullnull 1.5493696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56753	60035	52407	50260	255003	247412	94174	87069	61395	58605	32718	35662	119751	134778	44147	37837	71025	67925	71282	74824	79236	96449	160302	77435	192025	196573	45851	47155	337028	343672	51577	239289	154243	123180	1	46143	251761	249663	163727	185772	102935	101731	284724	311806	67734	75444	85985	70568	51860	54932	78167	78363	68109	62554	63298	94279	74784	73642	41095	56633	91702	89910	60397	65684	49108	52255	85185	78855	47760	47419	69678	52232	59124	45884	128037	91434	143065	128684	61763	60840	53798	16967	17641	43622	60794	87607	49700	58189	49645	53276	57306	73145	43189	16950	99626	98066	67571	29180	41883	37788	23946	85581	65703	67289	48470	61601	81878	83237	76714	70255	182709	189490	121699	128542	219597	215633	79043	71765	129928	122262	59153	61108	89870	87771	54432	56551	153392	150573	296780	308213	75033	77161	256469	289698	192297	186346	66761	70769	174897	179867	59565	66001	133313	135795	109346	114454	116872	121985	186176	210466	196644	194243
392.0955@1.2970005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55694	112281	181526	177800	215755	175001	171456	157446	97181	79181	95473	83867	69624	66390	36366	31570	1	1	12583	10898	6493	6867	1	1	9180	10105	1	1	1	6544	7756	8088	1	1	6319	1	15397	9381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Vinyl acetate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75684	85257	64598	60515	205516	209932	155511	142160	73433	72959	40643	45794	146384	160098	52477	50103	85542	75846	129947	127480	161411	180257	220846	197541	283174	283454	72638	72906	312309	317800	294399	287374	165434	174758	1	49515	341226	345107	333784	295799	180398	178375	437795	436541	127011	130810	146402	128608	91815	90068	127333	136434	89720	89453	132223	137852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
389.8821@0.8703334	117979	114214	102235	95541	132193	134035	99785	105947	140066	143663	150956	143039	107771	121008	72999	73617	120247	123093	111232	110385	126232	130897	71952	67271	137807	138938	110994	113684	87177	88746	205498	203487	235081	229893	247310	241817	230125	239799	171459	162089	239119	219984	192453	195992	105105	101517	151791	150885	199832	207906	115399	131822	171713	155454	287944	299410	226742	224992	153357	159840	114357	113548	115467	108640	162994	152636	168119	168682	128242	135034	94996	87345	125615	124105	173591	176282	151672	110167	63095	65408	34400	31880	75107	79459	98762	100843	68010	63326	60716	62263	74851	75458	62248	66161	81724	84098	86059	90926	138691	134346	86372	92609	117030	113682	114240	121545	168331	162459	87697	88954	125903	129923	134638	137333	20704	23735	24142	21943	30185	23819	20070	21825	26407	26681	19821	20499	22258	20981	17898	19649	23699	22715	19029	23397	19938	15644	22370	25988	18456	21629	27487	21481	20619	16662	22812	22655	16985	23111	24493	18404	18915	23225	18984	18226	16490	15704	22048	23019	29114	23759	16490	15331	14009	14835	13712	13641	17657	15312	14196	14595	20608	18204	17504	17756	20082	18100	18211	14989	13665	15218	19406	15326	16671	15510	15364	17482	19804	20615	19004	17382	17630	14382	22853	19256	15696	14319	19311	17546	17605	17281	14683	19284	13719	13070	14785	16009	17084	15939	17628	12122
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	480099	528335	451300	487032	428198	421879	532403	519145	492908	467461	399539	403173	499138	519317	646800	642770	531217	504471	475825	452335	427982	449299	501160	500715	472808	467489	502293	486753	470860	466523	1447193	1429518	1935808	1951421	1477486	1481346	1269666	1264005	2457003	2436667	1497686	1461773	1935769	1950359	2249609	2274790	2911136	2904458	935283	923878	931717	989982	2628901	2523264	778731	761008	1707101	1689072	528027	532398	427356	399644	643389	628114	494679	509303	505761	506324	395495	391050	738363	740727	435233	408242	512444	491559	595092	524381	437719	444942	623881	601018	630220	649463	373136	383693	754993	752701	698306	726643	726874	715980	146671	253891	751379	739902	792304	812063	547751	540982	694793	703959	513484	509297	652099	630466	401612	405094	553784	556175	605669	584596	942950	787185	312936	309596	327873	318877	297621	303997	261087	263096	238853	237656	189197	190023	464827	490444	187103	172504	254960	247427	203286	209725	307593	308708	381950	372542	271459	279292	256032	253526	204608	208480	342145	332016	203569	210636	443064	467032	277783	280531	356764	355435	284262	286030	317716	319581	394640	394742	175832	174738	389240	409236	529531	512011	574414	581811	748598	734282	406995	392300	973660	992093	729672	737451	986974	994006	839598	835590	906176	877599	631530	635086	1086148	1074667	1046354	1020083	744252	738688	1225850	1220257	1030513	1022944	795643	790138	970988	976748	826523	823566	973470	917050	654111	647116	989094	953981	1275662	1256331	1131298	1094190
259.9884@0.89782465	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9253	7171	6796	1	15744	14659	7150	7435	6496	6834	5853	1	13328	13051	9418	8698	8156	8007	6672	6973	7512	7548	11689	11098	12739	12909	6135	6953	17910	18572	13597	14936	14683	12821	1	6481	16499	12872	18032	17906	10986	10997	15135	14662	8607	8100	13864	12678	1	7179	12871	13880	10866	10085	35766	13151	1	1	1	1	1	1	1	1	1	1	1	1	6979	6114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6864	1	1	1	1	1	1	1	1	17579	18955	12407	12328	18256	16917	1	1	15554	17070	17042	16901	14973	15661	16497	13334	18973	20030	8175	7642	20944	21401	17776	19013	15392	17337	23192	23303	19583	19501	11481	12498	19561	18229	12540	14949	17600	20649	1	1	19241	21144	19281	17653	21505	21084
D-Asparagine	38052	35843	41026	44984	23005	22665	40777	38948	35823	39497	22179	22189	26272	23767	32430	39370	35092	35937	28733	28606	29562	24788	36648	40260	24874	26385	33396	34114	59484	49743	18747	18576	13396	15265	10714	8123	15915	16049	31231	31360	14145	14058	8538	13188	28152	27335	31465	31180	1	1	15205	15426	66205	53665	1	1	18227	15087	102661	97046	130989	123397	140853	141417	75425	75832	99774	94797	62418	66976	261253	240895	117140	114811	93619	90447	68386	53908	84936	85117	178948	197018	144236	156864	114482	116106	205795	205833	221973	232297	223470	229435	174384	199956	199412	210339	225067	206635	99008	97386	171497	170352	145734	152862	129340	129138	73623	68508	207420	212083	159876	146845	199731	194494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
215.0256@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78886	82848	80168	76300	138938	136516	41040	45645	72775	73458	160957	160271	217793	222637	49426	45860	56415	58947	44837	45043	63832	67011	213780	213081	180326	184224	167961	172552	193102	194556	163247	162762	189483	185606	77584	74247	167829	165981	177642	186027	39099	39228	136722	137686	61646	60709	86214	81272	102580	106928	86205	85927	78254	80232	98659	89200	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
765.4412@11.824002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15714	1	21040	1	1	1	1	1	1	1	27386	62913	144957	75128	54749	19391	19069	14273	1	1	1	1	1	1	1	1	184110	1	30245	15190	17980	13582	61293	25550	1	1	131134	22322	1	1	31591	24958	10690	1	33000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
10-hydroxy-undecanoic acid	382250	47803	168364	177921	172813	179786	168569	166607	126161	176058	186124	172146	169587	158106	116055	77166	348321	183584	165635	147876	165424	175302	159620	177663	88461	204804	395326	202349	111902	213853	123739	157013	144667	218805	197866	72383	191006	199045	189538	178376	208042	133576	397168	180939	64953	206115	407559	216884	196747	190804	508207	118064	211468	452681	30120	194858	203795	223571	115588	277082	108212	100425	115072	116413	274652	108260	114579	114840	113760	113832	113873	224855	75220	125674	129448	128859	105153	124393	160354	140981	139447	135782	147644	140040	81795	134704	139653	132799	124472	131647	146414	245916	81183	172776	143079	138049	174134	124762	93311	162048	154162	134245	141737	152617	128698	152814	138492	350500	172050	374190	150882	158476	3860743	152133	198518	421184	194611	168034	199423	207512	199041	181326	178389	205031	183765	184535	179171	181677	29570	78753	170848	171086	93286	187411	160045	167102	168656	184074	176679	181872	182563	185450	169397	173536	179875	173351	53775	173569	164738	112169	171992	192828	97114	72771	187279	398708	172214	175678	200191	119169	408980	100190	73012	84498	43522	193606	190479	207518	197795	187502	196657	184020	64640	191144	189302	198738	186618	230382	296060	172204	168614	24874	44385	181599	170039	186553	186301	132199	182161	204480	443562	186602	193385	209917	452812	186141	65752	187325	178928	437740	419404	440641	205052	208899	379016	205900	202081	459657	112241	201092
176.0282@0.9330873	115064	116037	115373	113612	139378	133648	108723	103981	149277	147267	144931	138990	125478	128862	80088	76265	161177	148688	130518	125392	110106	120870	70245	80079	141556	164090	106402	104107	81233	75875	231543	230435	260765	250682	230658	224488	235878	235755	171136	178491	238378	243565	174644	195951	150828	151158	145473	148837	192976	204491	147727	145996	189652	178739	258723	266988	276696	255561	202629	199123	165085	174011	189288	192119	197854	194326	207397	204633	165330	160474	181134	176603	158213	130466	230408	220975	226851	241547	166816	187415	80524	75981	165369	174549	153167	160155	126685	116259	123240	129250	152529	151570	123668	125854	202197	195616	228759	227017	231384	228506	214406	218861	190186	211325	218281	225376	248508	247340	133359	171342	228092	211484	274029	270343	130841	125878	139540	144085	151327	153955	153000	127737	130463	125570	126147	129207	131801	128743	119292	109270	142935	135805	84108	105984	121016	123063	139479	143441	131369	130323	161253	165501	117626	120570	165025	164871	129308	136864	167340	162115	167455	166376	121800	142928	91852	90854	127651	127570	174110	176065	119361	119034	125353	128336	91028	95920	92570	97137	109035	113444	130602	129932	162399	179458	140679	128881	103551	108691	109958	106186	121599	129616	94285	97366	172629	170723	151082	155258	132099	132458	142176	129896	185904	196572	117524	102596	160592	162019	113442	110263	162064	164635	92176	97132	177756	165713	146802	150358	176131	170206
211.8493@0.8727533	139266	139018	140739	133780	182653	176855	124202	124129	132691	139048	176541	173651	163284	170220	144640	144990	132939	124121	144431	139413	169244	169983	107446	106114	143179	152248	146998	154403	120193	122193	273713	268045	261131	263104	275866	273628	276196	272848	261458	261241	258301	251944	284719	283848	268722	269032	265869	263529	287257	287596	195865	195476	272577	264457	325721	308463	242778	244323	118506	120473	139037	138861	54218	57970	170529	175226	179072	175119	197275	201225	37368	36707	129686	128548	207975	204410	164595	155025	132593	135986	51720	48641	66619	69017	191263	201048	20790	23498	30288	33140	37588	40082	86745	77409	35897	39695	54800	51783	177608	188246	67324	73349	124569	134712	145440	139816	247468	244909	145278	145728	166140	160091	144543	151584	199627	204569	228879	230355	140810	142562	213729	208534	246940	244806	216903	222783	210624	212657	212109	214522	213815	218954	205121	218250	211274	206446	212234	222046	214032	214523	205255	213650	216034	217600	232337	231061	214300	209921	240383	240391	208866	219547	230966	225050	132294	135117	239106	248191	124399	126311	214024	211682	253715	241635	133981	133918	154641	150748	128179	129825	222410	220880	113162	112959	156378	162241	221373	215050	169567	162112	146827	148908	164395	171195	129002	131629	104479	106041	158658	162576	131268	132497	120215	126036	166252	167797	116191	109867	170706	163350	146734	132778	264612	276898	140415	145662	130416	129841	132572	135398
C15 H9 N5 O S	105360	106559	103728	103769	117338	115749	95813	89472	173777	168549	128460	133497	124087	127196	52757	56211	171185	165174	130398	128141	104178	103137	52424	52464	116506	127666	78660	77705	57657	57719	181150	190887	235078	231610	209759	200108	223368	216259	133130	141302	200631	209446	116483	116642	54475	52005	81683	74415	140069	129159	60233	68846	101318	106180	232683	235569	220622	233315	190353	184952	126379	128022	162812	161011	178637	177727	196592	196689	126795	127592	155450	165692	94034	89722	231232	226138	244434	229568	118961	110831	34921	29254	115096	116779	113017	110476	91011	98814	93719	98406	123739	136110	33826	49185	132701	132045	156283	162922	146673	141627	122883	128217	121833	125411	151519	156531	206922	199639	76443	72642	142377	148765	222057	216338	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
300.8869@0.88052577	112851	112989	105191	113062	112613	103721	112638	104781	119815	112295	114609	112241	120398	118872	104938	101181	109304	105481	123512	109482	97651	102749	118856	109557	115198	122384	116205	111976	109441	117610	87211	84788	105971	107757	95122	103113	81993	85247	103394	101214	118592	120173	88345	89931	107717	104614	105115	110892	58096	60134	59573	64429	116120	120799	33740	37288	163291	167235	163922	162456	177794	193600	123841	116411	197329	206615	195005	197945	167661	170339	84166	85147	136908	140377	189016	185808	193778	172671	167062	169263	96480	101376	125498	122791	165491	160391	67546	59655	79916	87042	87256	87998	134336	136334	95520	87579	117762	113923	214094	209078	136479	131422	190488	187095	197352	182920	172890	177310	189760	186021	205846	197794	229347	209406	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
191.0261@0.97773653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	111769	112046	119845	125976	129540	127037	116793	111901	120274	120901	118609	117303	111758	111974	81170	77233	104428	106586	104963	107160	115509	120137	121412	122105	116872	123554	115935	120902	102247	106570	100717	99529	110388	116319	75365	95492	135551	132775	144098	128807	139504	123029	144833	140395	134167	137261	140218	153304	114590	112043	135043	132991	135539	133546	217090	155212	50554	50427	47105	51981	46873	49323	63591	64579	30852	29343	70878	71507	55490	55080	70119	62242	54565	56089	68800	73108	65723	64942	61250	61409	67158	69009	72772	75598	63118	62641	49601	49987	50185	50144	37094	38460	61971	62100	43501	41025	50231	50261	35376	34214	63912	61057	71395	75021	40009	38795	17457	16648	16694	17233	14229	16530	18713	16381	30376	29930	15579	17288	30477	29290	16553	14035	18477	19967	10818	14462	24914	25058	53047	55494	19002	20463	24014	24415	44063	41617	21601	19443	34869	36494	11011	14625	25127	26878	26148	29386	22355	23454	21681	22217	35308	32923
> limit nullnullnull 0.8127145	87918	170863	180593	101168	216701	78324	232900	155875	33636	149852	188012	127211	212264	155498	143465	22140	31888	178883	150480	16084	167949	21752	173558	25524	32383	21987	27452	23164	27948	31696	12507	41849	19642	59406	38654	24567	368294	34127	17005	32207	39734	36916	26605	30223	6546	189713	36446	27995	14767	21634	90466	12365	14544	15088	20720	28084	31452	56402	102848	14812	130301	190187	100455	119562	108298	113800	122123	109253	113747	124898	68174	89262	19545	43197	20204	29625	12752	21177	23311	12778	13819	94082	20972	89213	19358	21545	36669	28879	388510	22646	25358	58693	120970	112460	17157	19982	517612	80679	8943	104111	16050	24519	18547	105845	106536	103289	49183	92400	99048	10741	23881	26381	45682	92296	25427	27816	28358	24078	32504	14301	20089	12715	125173	18284	161717	29947	19388	13922	22162	12151	31805	33629	128849	135976	17918	151612	140653	37180	110383	126669	118886	129722	129428	132632	133649	112639	111707	107568	107316	106069	131709	15275	108196	113991	111322	117704	111023	110374	101388	101772	120082	124611	111959	109497	26324	21904	24188	27760	21652	24106	30123	92609	95344	16331	92084	27594	23037	23215	31144	25587	27814	26010	20907	120459	81850	90374	21420	11626	22943	23369	96240	26169	86681	24093	16164	11600	23848	28864	23410	14490	104540	33677	25281	7925	37979	122265	22801	21820	25861	24999
14-Dihydroxycornestin	35412	40911	30283	34571	32667	33396	32693	29496	31930	29900	27925	29676	25494	27469	26838	34065	23693	33028	27833	27647	36766	40913	32287	35175	38321	37946	32661	33145	38577	38361	40586	42464	35704	33762	37490	36374	36946	35113	38517	38053	30924	34273	34493	37498	33951	32381	32646	33790	33412	34584	26645	21461	47548	47130	38958	37762	45177	46041	7864	1	14623	17937	9707	10169	1	10611	11489	12125	7936	7564	10273	9631	15089	15006	15889	16152	19250	18271	19563	18820	16061	18079	27199	22572	18018	17217	25570	24076	23899	19269	13697	13010	11058	15438	37201	35749	21521	21600	31534	32715	19551	19890	18647	18089	23327	22496	14538	14999	26138	24009	21220	22491	212955	44742	23556	20872	21401	21513	17513	20224	26952	27469	22795	16497	24365	16818	23306	24647	21542	18072	27679	28179	24704	26397	22470	20487	42653	52085	25387	25825	39897	37822	25313	24591	44992	40378	57191	56476	57720	53787	27219	31473	39732	39740	24560	21289	23624	24435	21394	28410	34433	38055	33355	30948	25964	28876	18247	27015	23069	25673	27581	23685	29496	27625	27968	31084	35698	28034	30263	30422	32156	29428	36843	31587	31048	35340	34012	31160	31141	32817	33518	33520	27792	29107	32185	31337	32344	33565	34018	31625	29314	37951	35911	33612	28865	29902	29049	28973	31929	35631
449.8543@0.8713322	156769	158566	139037	137985	173438	169158	140680	140965	185712	179377	171949	173908	161874	166989	107105	108785	172539	160138	153014	151486	166319	163021	96010	105869	176129	188979	147741	157374	124986	120506	229315	233024	275034	268424	256232	270927	261890	265442	191327	200790	258983	256033	204851	218406	151682	148579	183964	184045	219424	238058	111156	125406	183873	191927	315465	308671	274373	274953	216113	226037	159579	174454	162224	161313	192699	200409	235908	192876	156691	159038	117700	123767	152935	130679	206261	207513	203826	174146	107419	112520	73225	69518	135665	129296	134917	129387	89433	87478	97838	100104	108383	108014	81006	81856	101650	120478	129834	132222	182937	186703	139516	144126	164382	178177	154408	167874	193893	199413	138704	114123	184284	153074	200956	205026	139931	144556	159809	155073	137527	141921	154696	165104	162439	162024	155747	155811	139858	143985	137660	140375	154289	150211	138683	138755	142336	137797	163775	163007	144585	148619	161768	163911	145962	147087	167964	170899	146008	153662	174000	172053	155195	170288	159879	154657	112610	96614	161831	152648	143548	138180	135143	131894	137017	134773	75559	74227	96405	92576	87564	89028	136229	128370	82547	87730	115443	110872	102941	106438	108882	111793	116005	101825	108298	108925	89220	89465	93339	93788	122456	115876	80384	79685	113216	112949	102756	100731	96922	96965	109148	104037	90578	92392	106797	105674	93055	93459	78621	76253	90211	86969
222.1266@7.365998:1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11121	11645	1	1	1	11505	1	1	18729	1	13764	9289	29097	1	19777	8325	29322	8852	34838	38864	97553	47756	41264	38247	28357	16148	56008	46237	21312	76434	13735	18263	33459	32672	30191	44248	35122	45559	30448	35272	54423	35745	32635	31282	39031	27483	9798	10921	70918	80357	37265	21235	1	40105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H13 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29884	31581	19112	19220	99316	106467	26271	24235	14169	13280	20388	21946	98588	102180	30030	26858	35239	36928	31910	33655	79638	82482	107885	104855	83675	78872	28265	27632	211737	207287	161396	162112	118293	121392	35069	35188	203636	187034	131230	138512	63448	64483	215860	204532	59162	61049	80468	82353	31183	29581	46759	46112	62424	60961	102927	84847	19811	19074	21457	22704	21651	20977	49935	50052	19531	18558	18780	20746	32074	32902	18706	20719	23223	20984	26636	26785	30179	28188	28286	28286	39673	38626	22650	21440	45094	42369	21856	24097	26966	28463	35267	30079	18722	18781	30318	29014	24750	25656	21253	21401	24554	22886	19465	17716	36960	36153	97112	97395	102533	102747	81560	79003	71751	68678	264626	257547	82072	76154	123729	123215	97832	97116	99708	104066	47592	52117	225544	218451	294335	301644	91237	90262	307283	293757	308236	303557	67870	61832	261205	246878	112806	116890	153718	161147	62949	63009	200311	200891	234060	230368	223810	217442
621.3629@11.787999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28122	18556	36718	30486	76840	25038	42220	32541	1	1	81316	42567	133113	38671	20025	1	21368	15210	1	1	146171	116033	1723737	486101	129609	51948	58464	43850	1	1	16159	26266	60152	23753	1	1	161108	29867	143206	35316	24335	18954	186348	92673	21540	20311	275645	37263	13675	11918	140925	63054	18510	19859	111695	26098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Leucine nullnullnull 2.0294218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26843	53348	1	1	1	1	1	1	43624	23563	35290	33272	27407	31432	21475	22035	66288	92825	136161	129994	59692	86513	23457	28206	63533	156862	129944	100679	118133	103716	30419	65574	288117	322831	163269	175641	98526	95946	292059	248951	80328	84788	126257	133446	51454	51998	95564	99161	105179	93743	188013	182073	23743	24220	44647	40454	34320	33787	105806	112990	27672	25603	36190	34147	59301	54509	30882	27808	42248	41417	40819	41596	46188	42999	43656	46289	77871	75882	38669	40632	85816	85474	27770	28588	42108	44360	42191	41795	30850	28059	46793	46619	39056	37039	27632	28822	44017	45588	33597	32367	62926	53637	117359	130790	159096	160447	115212	109699	112117	112567	461664	474052	150852	159728	208160	199145	128748	123242	228802	237737	85613	79474	419056	378645	684132	666470	177655	165375	419865	405460	682585	1244667	123669	115610	532673	511073	146879	148919	299403	306617	235242	232748	398132	386536	422289	468512	482072	512733
286.0663@1.2842331	96630	97635	120291	132370	101057	100366	120719	117758	106455	109509	94543	101906	88726	85360	90323	83259	109373	122044	99210	89948	91864	103509	117543	119333	128010	138018	118978	127125	138890	136802	29455	28091	36788	33132	23970	23361	32700	31299	32078	33345	27477	28128	29892	29162	21483	21615	34521	39859	22893	25036	1	9269	39962	43048	21897	23234	25045	27600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135958	210812	346978	387394	984780	800189	620097	601019	291412	270042	502949	449372	316754	293675	373249	334884	29131	48229	109262	81282	64127	53504	23412	20516	39732	39847	37073	47302	67391	87676	52468	58703	78325	79742	86905	83208	190203	127490	29502	26932	27255	27597	28168	32644	33704	31477	25402	26671	30767	30689	33838	30831	36491	34243	34049	34534	30830	29442	30646	28257	33754	34741	35022	35643	36512	35764	34004	35165	29062	29602	29859	32562	23416	24016	32291	32220	26875	23516	31523	35339	27258	27134	38551	38918	25132	34557	27488	27527	11742	14693	13683	12709	13492	12711	10683	8823	23400	24464	14983	15400	17154	16001	6572	1	8617	9022	1	1	14217	13768	14222	13050	7711	1	13007	10834	10081	12688	6313	1	11922	11773	7979	8048	10743	10505	7499	7794	14983	14348	12506	11004	13714	13976
278.066@0.98351455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107774	108122	94719	96212	202317	200145	68326	69847	70895	78895	45706	45722	230492	232404	68238	60725	65692	62799	80690	81534	104788	112430	210728	195152	179757	177270	50957	59695	293552	292454	237250	247795	212937	202807	74811	103066	281843	281600	226778	240015	93946	95611	204870	208490	126689	129259	124907	128192	49578	44751	123700	128228	127427	124540	169250	147625	15329	15000	10869	10061	17245	17626	16824	17052	1	1	16353	21446	16126	16533	24553	24600	15390	14057	24452	27557	20919	23004	14111	15942	21840	20019	22744	20029	20789	20208	8992	10284	12311	12500	1	1	17530	15204	7466	7713	25249	22203	1	1	31983	35347	26649	27071	10354	7192	1	1	1	1	1	1	1	1	6972	8584	1	1	1	1	1	1	1	1	1	1	1	1	18076	17732	1	1	1	1	12131	10533	1	1	9718	10173	1	1	1	1	1	1	1	1	8522	1	7854	7353
917.4849@0.9810001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6938	6839	8923	9088	53723	49686	1	1	1	6739	6490	1	179179	183205	1	1	1	1	7034	8098	11469	9369	78263	79728	51191	49558	5820	1	223046	214107	127636	128811	106596	107215	1	1	90415	89216	62678	63721	6754	5749	31772	34760	8242	8790	7498	7538	1	1	1	5601	1	1	9361	10206	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N2-Acetyl-L-ornithine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23489	24001	48448	47035	505547	489586	39040	41083	83796	85531	72112	64596	1341850	1347778	36690	33030	14257	13342	34492	35335	104567	114745	794195	753780	596980	614765	117001	115941	703800	720013	728222	790393	1314537	1327571	35361	48619	1302825	1243799	975662	1017480	21949	20242	351654	348519	119532	119787	347033	345174	45421	44492	212488	225226	22849	18816	178859	167195	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
291.8623@0.89068484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	170893	161515	130442	128919	108576	104347	172315	167106	175618	181543	136620	146055	81638	96065	136148	127966	201591	200453	199671	182802	120192	119190	47097	54873	93289	89941	134054	139691	56457	58822	62469	62442	78551	74206	67197	74407	78788	75582	98059	104990	171198	171626	107937	104579	137829	139020	147050	148460	220853	216700	116413	122065	159939	162781	168355	174443	153882	159443	85170	88385	149614	148281	97273	94231	86479	89726	126045	134218	98128	96985	71988	71824	161821	162239	88882	86547	259138	258088	194830	188124	81172	79911	73451	67307	59316	57508	126851	126639	82720	78055	78955	77134	68768	66505	103491	107234	153642	149137	85992	83107	169586	165184	79421	80016	120866	119654	43737	43633	19826	19732	34029	29698	42476	45416	78194	78803	23902	20494	37974	38325	37203	38277	28935	30063	31081	28355	70617	66544	114968	117986	26592	24588	75421	75281	92407	88500	44472	44080	74822	68321	53982	57486	67716	69962	37655	35753	71635	74158	79650	76928	80921	78308
481.8753@0.8432681	202156	206155	197359	203297	232399	229098	188808	204599	198905	207466	223865	208243	218808	218691	186949	183566	168185	201122	206735	216762	223116	224035	167401	173481	196245	209643	219435	214863	198112	194873	261962	261696	245052	249977	230988	239181	235895	237563	235799	238926	245343	243627	240231	247541	266476	264166	248161	256449	270909	278283	138200	133309	261149	254458	266979	266462	246744	254305	208660	209577	192055	206087	144035	136692	232368	219670	224056	224906	210422	208981	108572	104718	157539	149315	212979	203733	208992	184440	148644	158998	103048	102764	129700	134597	193501	193909	90847	88700	102854	107417	106394	96430	119654	109544	117075	116831	129267	125680	212476	217926	159359	151090	202451	209873	194860	191869	219130	213249	194668	198591	201271	207439	191321	211483	79541	74275	75463	71757	48451	51205	73669	73907	80464	74253	72928	77635	74699	71495	74118	73656	71771	77418	73957	69715	72473	72069	71366	77416	74050	72132	77008	73355	75137	74017	76535	76829	66929	75740	76200	74543	76502	67729	74352	78700	48972	45566	75852	70495	50964	50933	72662	73714	72911	75684	38176	35555	34700	39473	38096	35367	52120	51409	36253	37005	41741	37835	52903	56247	42691	46779	34576	39110	44544	41694	28426	33030	37749	35610	41771	37164	35086	28474	36860	36887	47700	46406	38478	36467	48220	44694	36018	30541	52043	53747	34405	44818	31107	30203	38777	35007
785.4307@11.285693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9821	1	11511	11378	1	1	1	9493	1	1	13130	7413	21696	1	13031	9524	10964	1	9105	1	85718	33855	259353	88072	27234	14366	19366	15744	1	1	1	1	10042	1	1	1	32769	1	24894	14248	20521	12926	36604	20260	10985	9131	65704	15841	1	1	30280	17881	11972	14576	32354	13342	1	1	29032	27238	1	1	1	1	1	1	1	1	29201	29071	29048	33948	27226	1	33595	85808	1	1	1	1	1	1	1	36178	1	1	1	1	1	1	1	1	27876	1	1	1	56240	29688	1	1	27742	31316	29646	25414	18330	1	9032	12088	12364	8910	11279	1	1	1	1	1	59399	27246	18740	12610	1	1	1	1	1	1	11360	1	1	1	8832	1	1	1	1	1	1	8220	11319	1	1	1	32934	1	1	1	1	1	14371	31122	1	1
C8 H15 Cl N2 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12629	13741	14865	12520	12801	11071	14261	17019	14654	12787	15728	15013	13712	10701	14040	11476	17378	17683	21026	16934	17938	20042	8398	7150	16894	18258	16188	15486	6740	6977	8209	7080	12596	10108	23518	20994	20829	24016	21192	20565	24504	22820	20521	22589	23113	23490	25827	23187	21651	25876	16622	16175	22669	18671	26338	26713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one	169944	161630	145100	151964	174503	171506	133716	129556	171023	169899	139913	149211	127884	127289	134388	131112	112454	122539	152662	145634	172000	178936	120765	126770	180441	182401	186149	180221	146262	142027	10752	11829	18858	17837	120573	118298	20333	19230	120115	113135	37706	34007	14588	14755	15020	15474	85115	87060	15590	19515	30559	33262	138976	135795	13127	15484	102392	107551	107431	101944	124306	117390	204615	196560	72691	67991	71888	72547	114118	116621	53917	58744	100200	89494	145518	135034	51635	48348	94324	107617	125311	124060	200316	211689	121564	117199	109511	109862	119234	115346	94316	88823	67425	188828	121498	118522	165849	160619	106027	107839	215887	223810	139679	142819	149677	148725	178882	177224	145585	154848	169862	161733	40359	175321	41172	42690	8854	9062	12740	12660	8789	10877	20975	21891	31690	30623	11572	10544	11056	11287	12295	12923	23001	22961	61975	59764	98763	93917	29390	32832	13996	13520	35908	37080	29113	25820	11939	9137	14940	13288	1	12311	35722	32158	8604	11019	10669	9186	13400	13458	15414	14043	11898	13926	213240	208488	205451	208256	30939	28894	23213	22612	127280	143850	217035	228140	253440	254771	256213	254636	287055	292959	204609	202115	196945	201627	343516	331841	276517	268013	255951	250826	353084	353847	254515	253108	347856	362414	254822	251398	166604	162077	22654	21861	149956	146117	319651	319989	178794	182878
2-Iodophenol nullnullnull 0.6150005	409181	399916	509465	383231	357450	522304	565788	412680	525103	425266	392900	486820	415412	540959	397432	457056	465598	461714	344125	440477	423335	437602	473025	426360	456772	448559	442454	409596	555746	692938	397469	474340	434470	486928	470916	457209	473272	494048	458097	454480	481469	517083	560765	479848	593360	517294	453455	453711	424923	404391	602858	592410	556178	484849	448863	442426	455290	476543	546770	516943	516898	574641	538761	556881	540001	552841	497603	495458	507465	527592	495297	501696	532227	778367	556959	426595	418480	454297	439365	414114	440317	238627	395573	472859	443472	390039	386294	407039	506439	432405	406741	395193	815029	428568	390310	407392	417167	394168	393251	425902	410323	389850	408102	405706	391894	397646	435187	379569	389494	394525	439813	460806	296852	501327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic anhydride nullnullnull 1.2356654	122502	115140	77006	12624	107601	92106	24280	127562	60690	175616	49882	60388	28514	94348	80354	86739	63669	74574	79819	79311	97834	103940	106899	181651	100689	37125	14817	145158	51672	13242	101527	97011	131732	165654	121810	127978	117058	119273	121054	143067	72502	153938	88961	89371	124910	132761	106076	97507	76611	81953	30327	47728	131120	133905	66102	66898	207501	219890	139876	145779	131800	125850	326251	321647	154871	148083	118633	117279	105985	106790	225502	223525	101748	95795	134995	139047	130847	126452	166419	178084	222368	223600	254164	244229	130575	138507	281876	300607	136413	289359	198731	226985	109634	102333	280647	300142	224316	271212	151295	147653	386197	357579	146927	158798	153216	152115	144053	142740	123157	136316	121013	122186	207822	195829	48802	48158	44446	43630	49025	49060	36692	44549	39798	37056	53247	55656	37822	40660	45622	47526	47714	45646	39009	51191	55348	50039	53048	49679	37543	18292	41490	49842	54143	37288	41155	39538	33208	41425	117311	43438	44335	32581	20349	48621	52922	28471	27677	29978	44359	49063	32759	33142	110248	97285	110224	111184	94685	95685	119957	112512	86753	82808	139951	145165	33609	92976	144680	148896	89928	93631	107837	113097	84720	87934	150845	143444	85501	83633	110829	112819	208376	201006	64368	69989	105206	106865	169374	74771	102393	97228	122097	125828	84749	83728	120034	125066	181324	172253	155944	164423
C17 H24 N3 O18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	207310	208018	202084	208721	207378	205002	177791	219613	207021	190873	199053	290944	237261	218266	64596	125121	115749	113345	110695	122208	112659	115750	160570	125527	120900	67245	113863	111991	117302	106416	105255	106978	105347	107096	122699	78939	117215	107337	83724	113493	111786	151092	168697	78864	118973	111898	119261	115625	107934	111146	115175	111052	117896	117196	238436	178751	108861	84379	97947	131617	95507	92925	380133	86867	109312	63429	114076	116350	85236	80838	75712	132662	87013	98709	75477	101707	73377	108501	61532	92241	71008	107041	99907	90103	105760	122097	91653	51897	115428	104458	91616	101249	100843	76096	7874	78012	121743	53031	111683	82724	83796	78313	108191	93358	71058	103269	1	1	1	1	23690	1	23734	1	1	1	1	1	24317	17115	1	26973	1	1	1	19399	1	1	1	20135	1	1	1	18598	15010	1	1	1	1	1	1	1	20302	1	1	1	15247	1	1	1	1	1
C29 H29 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64390	72200	36889	35379	1	1	49480	42547	1	1	27794	25901	16403	18851	1	1	70367	66807	103150	103493	121700	116156	16189	15573	77272	76210	193921	172870	21439	16074	15141	13307	1	1	22863	25366	8519	11204	37602	39066	221915	222830	21196	20951	69626	66242	106186	102922	12200	11903	1	1	22919	25529	7336	9313	1	1	23533	28417	12462	11308	36737	35442	1	1	1	1	20759	20945	20373	19404	1	1	8587	12100	1	1	1	1	10713	10182	15000	14176	9390	9025	1	1	6656	8008	1	1	27489	28262	1	1	21916	26695	1	1	23695	25446	1	7426	1	1	1	1	1	1	1	1	1	1	8905	9216	1	1	10094	12051	1	1	1	1	1	1	24253	22239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7516	1	1	1	6529	6301	1	6726	7713	7735
C22 H6 N2	133296	131229	125552	122424	121920	113799	117504	120680	127529	122689	116844	120838	119866	119552	118986	112716	162333	134815	122992	115820	112520	119904	94286	101805	122300	126938	137567	140976	113732	111640	132601	131238	141495	143050	83656	93405	80742	86803	123287	123609	107248	103149	105503	111037	131355	129543	112499	113758	106737	103062	29803	27408	132698	126949	93310	95638	110134	113979	68285	74572	94756	96264	61517	63564	75600	74562	54569	56716	73820	68409	50225	48964	83024	85691	107057	102235	116102	116564	100757	99697	169569	154570	124432	123254	104720	103727	108804	105983	102543	106298	93853	90134	36541	36118	112008	107528	112634	109320	99347	97989	131925	127712	102102	107958	105291	99413	91691	86245	103114	104016	92911	96426	188787	94638	147822	156525	117420	125151	137675	146708	98604	95075	116677	118528	152707	158229	159623	160462	145095	149089	138494	134190	122233	130195	140541	144382	142773	146602	116353	121558	108112	107406	97157	92055	152930	152400	111545	115388	101090	109542	100936	105716	100085	97298	139108	141428	102301	102463	117755	118057	119653	120170	111617	109513	68447	72336	89536	91244	86336	88746	75171	74106	98703	102788	76317	83573	89440	90241	66159	63733	67378	68659	69137	71211	73925	72017	85082	86689	70236	70516	77655	78027	61211	62903	84463	83375	90372	95522	80053	76755	90848	86072	94023	95147	86206	86885	81053	86476	81703	77073
C11 H12 N6 O11 nullnullnull 1.5579993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	230380	226945	106311	109471	227445	217412	105290	102374	68646	75687	61130	59522	395784	409493	1	1	103244	95891	134815	133847	100898	96088	249427	245982	369299	375895	51179	30796	360394	358429	303562	296691	314796	321617	1	66207	206498	211786	450079	437992	108800	108669	215653	215372	110979	114517	113765	109697	33531	34920	237632	239760	196933	186635	144653	128225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
6-(2-Chloroallylthio)purine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19849	22396	27520	28881	27760	29490	29593	28649	28940	30784	28150	26117	32457	29165	22590	19939	26345	27262	18037	20710	22515	21508	29208	30139	30709	28194	28996	28441	39813	40010	35612	19403	26444	22530	14208	18856	33802	51118	34904	33767	26544	27299	28915	40442	27328	27680	32803	30365	26712	24448	35008	35179	28635	26778	47564	36050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H2 N2 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	88069	89284	60311	60233	69797	66234	44511	44780	40755	34454	39878	31277	50509	47779	46707	49528	66059	72923	56337	45259	88003	98054	48537	47073	58802	59930	39870	45237	50719	49128	43858	44592	37462	37783	34810	32912	58908	61813	45679	45499	71075	59018	51374	47096	44170	39570	34978	36658	24021	24924	65450	68027	38347	35556	50752	69400	11420	10233	15409	8596	65256	14115	12366	19841	7297	12455	11736	10189	10670	10741	11980	9641	12214	9894	16454	35520	14163	13380	16153	34452	10892	26612	13023	10391	10238	13116	11893	23458	11045	12205	9151	17390	11155	19010	10290	11306	62579	11248	8002	10374	13604	54175	11818	11579	9721	12207	1	1	1	1	1	11790	1	1	17700	19787	10212	1	7328	1	1	1	1	8588	1	1	16084	21949	20900	20226	10140	1	17118	14245	16260	20555	1	6582	13997	18487	1	1	11105	15420	1	1	17299	18907	34078	40416	17960	9696
3-Hydroxypropenoate nullnullnull 1.2144369	219094	211665	239302	251425	179581	168562	235901	236761	250665	256248	186595	178297	198119	200977	228465	193467	276513	268148	235093	239079	154205	154258	316342	294490	167155	170869	211088	221105	373973	332674	707166	685007	750252	738351	25057	25161	288614	285516	32750	26166	384907	380937	397631	412095	804843	833631	28935	27560	305107	313193	61214	69110	46529	46314	117344	116382	472399	502474	195203	204202	349373	362985	888315	896732	1370761	1359681	251341	262759	236400	212861	1287292	1385805	35775	35510	225119	229787	1309030	1359113	941768	1591094	1097555	948128	1103911	1977057	1241817	1240985	263437	285060	1236314	1288257	1252885	1313174	64974	35080	1270589	1359053	1115166	1133892	661786	640287	1260782	1280328	558885	614031	702773	699501	156641	158279	59866	66457	173112	170433	477926	599457	36580	35144	30522	25492	40801	45673	38013	37472	23751	22486	38028	36651	33703	36137	39934	37400	41415	38924	40872	46415	39517	42465	40489	44184	40879	43348	37738	33998	36783	40199	33207	32193	27290	31492	22948	22028	32687	35613	29014	28383	42118	35572	21747	25847	48243	52175	39550	43740	30139	33170	104203	109889	111671	12404	648401	9519	350029	340431	14766	14981	18867	18320	54941	9384	125603	122248	8496	143067	110983	8666	8979	11245	22577	22423	17184	19770	11955	11579	15698	13663	10003	9805	12564	11524	127428	128966	9453	7888	492335	498152	9782	9595	12343	11950	9806	595124
647.3822@12.082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	99054	1	16112	1	1	1	1	20616	77177	1	1	1	1	1	1	1	60065	51255	661266	253091	157082	53535	33422	1	1	1	1	1	76144	1	1	1	210696	1	66476	1	1	1	112677	123775	1	1	479195	26722	1	1	189855	29834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H12 O7 S	25731	30587	22146	24936	24863	21724	23658	22825	23840	27797	21488	23050	26935	22071	27718	18893	30608	23603	24601	22915	18047	19346	24200	28328	25749	25566	22593	23883	21912	24951	16729	16042	17209	15998	16338	16096	14374	15428	14371	11947	18818	17195	13281	14700	12510	12246	14080	14489	15459	14837	11340	11904	15406	14431	16252	17688	17314	21831	50530	49878	47830	48706	106262	104258	40839	38554	40668	40326	25819	26719	130116	127286	46135	40987	39076	39860	43744	35938	45032	53757	98938	99596	74676	76956	27171	25867	191486	194776	136985	152198	122499	124592	55886	61735	146247	142441	109356	107937	45068	48784	93028	92214	61473	61830	55418	53710	27278	31465	52634	53483	52761	49388	57821	68236	202259	207159	171605	167794	230249	219794	199728	199242	122051	124877	214833	211659	210404	211062	241969	236173	191312	192671	253773	260328	225637	229419	203158	204130	224930	225708	223286	225655	223680	219759	160749	159994	197694	190278	125031	120345	215050	209154	155389	163440	284591	280697	127486	131082	306481	309749	254737	241999	150415	141402	91452	92324	87033	92191	128154	134129	81428	78369	194579	197859	113155	119966	50229	60303	108776	106616	138619	139142	76569	77204	71403	72059	282454	279724	124806	115235	77553	74893	243892	241921	105054	109119	228268	224435	104179	104010	246610	72131	106996	104180	61558	236205	284420	291924	232969	234566
465.2856@11.070002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33212	23245	191295	54823	21439	11348	1	1	1	1	1	1	1	1	1	1	18412	1	21147	1	16488	1	31143	18115	1	1	82152	1	1	1	27045	1	1	1	29537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
150.056@0.98500043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	104853	90560	86127	91316	230838	241108	48740	47027	56091	58704	65285	65336	439340	440616	41458	44730	43181	47260	51150	49486	111819	119777	393386	380734	328740	320942	27267	66431	538730	535994	393995	423772	450120	260320	53257	76321	410046	411498	411309	415811	55777	55878	229542	233472	110011	116185	111395	117360	22445	26921	119075	58058	90752	80244	198816	173833	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H4 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80407	37939	53450	63079	46441	56252	51289	34327	64671	88862	75312	99625	86038	88515	13022	22491	22584	87371	18384	1	1	1	1	1	31360	1	76399	95455	1	1	1	21753	62037	183391	507233	113115	91630	254489	91058	124627	171220	149804	59880	139689	68239	57147	100499	83912	128947	94358	160862	100177	9328	56653	20098	45876	174009	173266	173531	109747	99189	165094	134577	164908	102318	192401	1	184174	127676	183543	125040	171868	129098	141848	102759	173543	171747	123497	126109	104370	152376	168575	133769	112667	143707	109214	177912	110153	136897	100383	202270	132309	160725	111882	131485	112458	121337	94101	179102	173902	120035	104459	146125	107571	90987	159591	96577	77575	96234	77903	177338	121343	143586	116022	161919	115374	80708	107404	84322	148179	119917	122239	81359	140854	62445	159089	1	106671	105179	121193	81770	98187	103161	1	118239	159072	90723	1	87835	91168	93399	132229	162902	85598	136760	127431	107147	129472	142599	134872	98675	98032
3-oxo-4-pentenoic acid nullnullnull 1.5526794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16897	16316	17477	20808	192836	202852	80135	72063	16118	1	1	1	90065	98559	1	1	35125	32896	142871	189712	564426	550580	686794	617769	467791	743457	201374	181404	611211	576519	408224	364167	270205	249837	1	54282	373830	350971	323877	345634	167449	164077	478228	491985	102546	123263	136386	136108	88229	89809	158536	172515	133348	69345	31072	171368	30277	38048	1	1	44192	44696	26760	25685	20402	21703	35289	35730	13968	15436	1	1	1	1	52607	53318	71462	71581	20854	21306	19680	20935	1	1	16163	17666	24223	20181	1	1	1	1	1	1	26315	35544	28092	28978	1	1	28141	29087	1	1	1	1	25669	25415	23120	30006	103419	92847	67153	74407	176079	160757	25455	16851	85666	70559	1	1	8662	19470	1	1	133872	129727	279096	274432	33157	17989	189094	231192	141860	153551	22969	23119	126406	134269	1	8540	82098	102189	81624	52071	80626	73965	107526	122915	161284	141305
Fagomine	61653	61078	36631	24763	24554	30914	28231	44860	59825	48976	22585	26031	25417	15052	14521	26437	51500	59511	41853	38795	42519	39177	24375	30249	27136	30224	55639	62540	65245	52219	10751	9617	20558	23221	8398	8491	6729	7846	25967	20877	12328	14013	7043	9132	12401	14383	17276	17363	1	1	1	1	18900	16928	7252	7099	9101	10714	65926	72687	100280	93792	159469	156911	75668	77451	87596	91780	36165	37411	217714	219327	90567	86274	47432	47320	79242	74128	110252	105211	168631	163261	133399	134586	43369	46466	200577	201793	162994	175485	191624	189885	107512	90108	191305	196282	177917	180755	79673	80947	121543	123402	153440	162713	132397	135592	35243	38308	112481	110708	96909	102840	137439	144884	8921	9660	1	1	7569	6987	1	1	8168	9129	1	1	10968	11750	1	1	9996	11400	9879	7770	16081	15393	11480	9272	1	1	6608	7179	1	1	14297	10221	1	1	9195	8333	1	1	9752	10004	16235	21294	6933	8049	7483	9407	1	1	14021	12347	15340	7894	14442	12769	10147	9536	7477	1	13067	14156	1	1	19447	14852	14728	16324	13638	12439	1	1	19962	19446	22856	23722	14505	13652	21535	19883	17192	17642	8294	8748	18372	14549	13136	13091	15347	19954	1	1	14621	14755	16638	21872	13283	12183
229.9988@1.14972	18513	17317	21556	18735	10009	12229	23111	22168	19257	20474	15388	14987	16928	16300	22907	19518	21132	20338	19650	18862	11115	10123	39092	43678	17735	20075	21507	21632	31821	32063	9571	9126	13089	11218	9725	8682	8199	11162	14969	15010	14684	14386	1	7497	11500	12538	15649	14423	1	1	1	1	18315	15909	1	1	20281	21654	14118	11568	19909	14974	52060	71079	12812	11239	15110	17426	14035	14808	89291	78380	8726	8168	11493	11897	11801	10505	12086	12205	33210	34166	16015	17199	12735	12074	238242	235868	56668	62446	82630	76295	8811	10601	110972	110710	16694	15883	13992	11419	18273	17466	15718	15834	8457	14221	11846	11001	11986	13089	7153	6402	35973	23291	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
374.8214@0.88002	94662	100638	96455	98875	75650	72035	100818	101558	113990	113536	80316	88833	85240	90385	73081	81119	104869	106141	92003	96043	67593	69184	103882	100521	96398	97980	83856	83121	92916	96382	51173	53226	77118	72805	58940	62545	61038	62684	48934	50893	64973	65319	43545	42850	29357	33392	43041	46819	41173	41250	19125	19145	48672	48676	58748	51100	85531	84422	111120	109193	117357	120548	112021	126020	107572	105501	117590	122429	82590	94373	90052	97992	70346	65311	106314	103872	115794	104382	101748	112299	90469	87647	113344	115113	83576	85616	64780	63885	85339	75826	85948	87344	84498	87580	92424	97478	114330	107230	113172	108273	125660	118120	120718	119896	127079	118917	87447	90529	110904	112717	128638	118082	154224	141989	20115	21943	18893	20426	25978	24454	25514	26273	9450	10830	25690	28008	24789	25423	29005	28411	23349	22526	30617	29591	25057	27099	24769	24113	26090	28124	32762	32009	26390	23100	18049	19000	19807	19674	13791	12613	25612	29058	18585	16406	29468	30842	11726	10888	38435	38918	29847	31055	13005	13346	6763	9314	7637	7578	10194	9524	1	1	25500	24279	9598	9640	16875	16592	7478	9422	12840	11082	1	1	30124	29973	39887	43928	12084	11092	31623	28960	35251	34761	8612	7622	34119	30469	6993	6949	27528	26738	6480	6811	26338	26499	34024	37166	24958	27878
797.4334@11.477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11145	1	23378	1	1	1	1	1	1	1	19537	15126	241105	34737	26387	12092	1	11760	1	1	1	1	1	1	1	1	72859	1	28643	1	1	1	85984	15411	1	1	55921	1	1	1	21846	1	1	1	18142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H7 N7 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16808	14999	16614	15879	72379	72689	9619	8742	6657	7256	1	1	89369	82029	6342	1	1	1	6326	6790	9906	10847	60339	64477	39219	42616	1	1	123755	129822	98853	99174	77078	76759	16241	19441	108959	102556	64920	67341	6813	7444	50411	50355	18826	19168	14914	15725	1	1	14901	14605	11446	11219	16664	17336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
92.0364@1.261334	118666	115523	137657	144893	90152	85177	135404	138530	131611	116321	88356	86845	106157	97906	89841	101266	141709	140316	115083	113965	92600	94137	127684	124594	97635	95766	101817	98605	139028	136560	22201	22830	24734	22228	16174	17457	20679	20219	17344	20472	21458	21619	20183	22157	13548	15394	24632	29560	14321	14826	6648	7090	31778	32116	9461	9635	22133	21344	65958	65586	97721	93980	141365	141945	47977	44912	66699	66773	62386	63049	235051	223923	134257	126799	88233	85532	34707	38011	58084	59249	125890	120517	155156	155622	43746	46944	196056	193433	144298	144488	175058	175294	45535	51026	194394	190380	150777	146890	86582	80516	133085	132347	66050	68215	91381	89536	48041	42013	82950	91862	58231	61956	119227	106945	73876	76251	65492	67767	86077	92263	91797	83337	51606	54793	77397	84015	77375	76232	92866	97046	87811	86607	99300	98913	83430	83937	90720	93820	96937	101938	88486	87210	86917	89370	75435	72329	67200	64579	45033	47258	84684	81072	55170	55807	93933	89074	54382	56541	121271	121712	91970	92332	62866	62731	11446	12729	14002	12447	11816	12703	7668	7527	30058	30692	20819	18335	19872	19275	10715	13679	20268	21345	8005	6172	29821	31656	46655	46722	16003	15026	31435	33053	41081	36777	11932	12925	28320	28199	12787	10851	30593	28548	11968	11084	26349	26090	36892	37188	22509	20850
231.9036@0.8593628	199887	199378	203349	205701	219871	210191	200721	194912	230260	217805	218758	214112	220665	219982	165156	185426	218474	217985	209770	204862	199713	200422	167109	172762	218312	226151	199432	198786	183761	197843	235695	233786	260488	264086	244411	245301	249972	251522	227006	227435	250523	253758	218583	223353	201863	203679	216284	220682	225292	232231	139148	137635	228313	223296	258896	248341	263939	272181	130236	125268	140471	143533	91605	96246	166204	159948	165826	165386	158210	153363	63663	66084	81708	76178	134887	125292	154249	196393	160630	165528	85009	77604	100096	90089	143499	137533	43575	45156	51221	52847	56915	59163	74834	59751	57390	53748	65741	72548	126169	119874	79788	81868	106560	107207	119020	116311	146937	149318	110108	104864	122948	120184	119621	125462	146521	152754	165772	163339	129591	119130	160437	161783	158348	161001	154204	161333	156942	158380	150009	153511	165184	161560	156192	150935	154687	156668	175948	168463	159902	160271	174246	177189	158245	155612	185855	180086	169868	164845	189879	180519	181639	182736	175185	177535	108823	110363	173206	177548	132677	132272	155366	163732	180662	181227	81588	80846	82558	87361	79208	78219	126153	131949	82069	86355	87683	91341	131800	126783	98347	94915	90010	94370	97849	92207	93965	95027	91770	88163	98120	106335	90762	83273	97074	99715	96418	94635	88555	88200	100258	95757	95676	93654	139187	140992	93171	98389	89572	95901	90058	95168
509.8157@0.8708954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	245976	252156	197261	197463	194387	195119	238158	244862	257424	265569	202863	209012	170046	172909	164524	159722	281210	275488	259296	234302	156022	168256	97167	102434	151004	161254	194795	194838	173758	173317	166635	189683	203572	193354	148131	154891	231526	229223	216671	208276	237099	237361	211332	207391	213563	223792	227195	232225	267248	281876	178727	178999	244539	231236	290165	264589	64966	62861	75029	73926	78523	83357	85019	81485	74624	75764	79840	77110	73088	74635	59919	56746	76159	77391	60975	59690	59264	58503	84601	79237	69352	65077	88522	86220	69021	65055	87271	90759	71051	69303	84778	84762	83382	81209	71418	74300	44536	42793	72168	74328	77362	80747	66823	68808	63707	59016	34031	36756	46372	43605	41939	41428	60004	62941	44452	44830	57545	53730	48008	47927	48394	49740	53009	49506	49109	49076	43714	47971	53601	50747	52823	53952	41240	39431	68556	70627	48025	47880	55293	52368	48979	46646	51216	49323	46142	49066	48323	49582	38493	41399	40584	39634
225.0307@1.1803029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12428	11452	24329	25295	82904	82829	7927	6848	19824	18510	7970	1	198727	197737	1	1	8913	7414	10059	10003	20889	22996	134730	135184	72804	70160	12530	11621	204351	206092	141298	143250	191140	189359	1	1	168625	152992	129181	120261	10801	10779	85650	74403	38954	40498	27414	22748	1	1	1	1	8592	11513	12087	23831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15349	14608	10339	7594	1	1	1	1	21370	23182	33453	37000	13645	12038	34035	32732	74221	73576	25605	23809	18361	18354	37099	38691	70295	68950	19882	18647	49548	48013	16913	18068	34323	31742	16796	16811	20869	23017	8698	9945	15292	14757	31587	29913	23014	24311
749.8187@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91753	89899	93721	93711	62533	61879	92435	86253	91016	80539	76865	81574	43805	39638	160394	160387	148850	150820	89731	37780	23013	33319	40444	35448	52299	57963	77580	85784	38708	41378	54510	57599	55670	56170	113860	116634	60988	56819	87160	78456	157855	169115	104571	96044	145262	148348	152606	137094	132175	131986	143501	142097	143352	138016	190887	162973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.875071	136147	139270	137349	142903	175832	160306	124606	115183	126439	132202	160647	161241	155832	158048	147274	146266	126953	121439	137804	130599	164445	165299	110535	107511	142327	152091	149694	152969	116113	119090	243128	242349	235344	225725	251342	241792	236104	243525	238519	242822	229575	227533	249062	252936	239799	254007	247627	242411	242166	248047	193190	185913	235787	233442	269025	266531	218300	229527	105715	107252	124451	124590	53096	52335	153281	153994	148817	153388	175124	175499	35657	32965	123468	122485	175427	173943	141788	136950	111770	120525	48504	47604	63140	60031	157338	160288	23628	22812	33323	34834	37924	35565	81437	73222	37388	34599	48304	56415	157913	158956	70954	70995	117172	124040	125791	127147	202697	197350	125260	130354	146653	146091	132485	134158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
82.042@1.2286487	19032	20259	14820	20370	12826	16061	15817	15070	18708	17113	12672	12483	17048	12394	13304	13336	9911	14122	12424	14254	12018	11001	21375	15766	16463	15131	15553	18227	15452	14970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18889	16179	1	1	1	1	1	1	12972	8722	1	1	21161	18020	52828	46037	73743	73367	145423	143605	47868	43358	50363	48551	40337	44831	242656	231819	51072	50913	65305	61172	54829	50707	70816	76650	220246	211328	183264	188910	57884	63798	408608	406169	352523	374439	246340	257400	54783	58057	285630	293384	226687	231291	66431	65699	237543	236693	81160	83826	101658	94731	62325	60817	119536	117960	73348	78813	139083	123463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
684.3505@11.95425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14784	1	1	1	1	1	1	1	23970	1	1	1	1	1	1	1	38074	25121	295673	105397	31525	1	1	1	1	1	1	1	9389	1	1	1	29976	1	28476	1	1	1	35698	16919	1	1	140772	16188	1	1	38812	1	1	1	30700	1	1	14186	16388	15480	23320	21851	1	1	1	1	20538	18795	26761	24778	25530	27852	15650	1	36104	26017	1	1	1	1	23167	21563	43358	47144	28429	26184	1	1	24115	24860	1	1	1	16374	15360	1	74701	57179	1	1	31654	31766	33690	35348	1	1	23012	22647	24361	14251	33721	19054	1	1	15776	1	82266	86296	1	1	1	1	20423	1	1	1	11985	1	1	1	1	1	1	1	1	1	1	1	15237	1	1	1	103692	1	1	1	16018	1	41978	74908	13358	1
293.1991@9.271831	29266	16360	13447	21939	10378	33652	42758	1	32194	18303	8117	14192	14597	42554	1	9777	9663	14218	39565	32037	7881	32166	1	20240	37945	40244	8629	22646	18889	17772	45040	49234	7161	26647	21858	37450	13472	17027	7584	13972	20882	20296	8842	9112	8362	14806	32797	44265	19309	22966	8031	9194	14243	40890	10541	8923	16014	8628	1	20009	1	1	25187	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7730	29128	1	1	27753	1	14898	30004	13395	1	1	1	1	45042	1	1	189712	1	21460	19374	18278	15870	23907	18349	18019	18498	20174	14866	18005	18417	20351	19720	13980	17352	19652	16032	15691	18698	18519	16410	16178	19151	20016	13555	17314	17372	21657	18036	15389	14119	14882	14719	13828	15053	18019	17070	15919	23631	15404	19088	9851	13464	14774	12521	14356	16998	14825	16462	14174	17553	16977	16788	15481	18224	21480	16240	16694	21353	21507	13067	18339	20468	19088	14157	17093	15111	18937	12677	18933	19236	20498	20905	15203	14510	19682	17708	19581	18325	15507	11747	18751	14480	14246	15618	13988	13637	15402	17816	16611	13176	16526	12293	18044	15242
Citraconic acid nullnullnull 1.564499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41668	46203	33151	28596	91309	90643	61118	67680	24546	24019	1	13597	80960	71035	36346	28738	48791	47805	100144	102146	101690	87003	106009	94222	175197	180323	41195	36518	141128	131992	166729	169186	93625	88154	1	38091	147530	168462	217674	213982	117332	126850	250345	246452	68903	77203	82062	70105	46984	46975	84697	84513	47162	50932	58829	68505	1	1	1	1	12174	11608	1	1	1	1	1	1	1	1	10370	1	1	1	1	11922	1	1	1	1	11023	1	13899	1	1	1	1	1	1	1	13996	1	1	1	1	13741	1	10876	1	1	14220	19805	1	12329	13820	10526	15093	1	13875	12171	30814	31446	19543	20164	58821	63082	1	1	34425	37760	1	1	16724	16143	15053	16564	76293	76380	59738	61019	19892	19445	81068	76410	52507	45277	14329	15163	42875	38589	12605	1	60899	52246	30232	28354	56504	51620	69769	73410	59791	61075
C3 H2 N3 O3	105916	112434	154643	120973	24506	20838	41207	140848	32726	162040	36220	16923	29645	43284	113800	110509	162232	27078	102654	98993	7802	141857	102752	120255	165266	202106	185569	178800	170292	144646	49914	27660	27331	51392	57067	15794	53486	9328	29973	148690	31893	47619	36077	56198	152969	141558	31380	184238	151950	173881	199118	158761	28420	194526	167517	63533	57940	62107	132724	124004	115990	119475	54269	76576	105353	86864	133256	106243	82907	86878	76718	68623	120856	127759	178559	118658	143445	131645	94766	144217	106825	110381	75817	94959	134780	107552	64845	61329	92716	76516	60760	79967	61535	112638	85145	94931	105620	181850	147475	214722	137417	135578	186797	108047	204240	141661	197282	150466	165951	211450	192134	179641	260612	207644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H N O10 S	99381	102061	98549	94681	84466	81398	100630	101275	94919	91186	72507	76028	90129	89403	93608	98032	93367	91259	94287	92191	73194	78693	111443	104313	89546	97436	94740	101137	107424	111596	44305	47266	50152	52192	45352	41562	42364	41044	50234	51405	60460	62806	44499	43836	66117	65953	54906	61463	34266	34841	31564	31300	60764	60837	16376	14369	75203	78358	138059	147916	136503	134171	116633	118834	121222	118743	125611	127435	108912	106723	126045	123574	132959	124044	128356	126807	120338	95589	109088	109009	110158	113886	130354	127257	102880	104784	92645	95900	113121	115621	121211	128102	98926	110602	146612	147734	158531	155212	152119	154891	165754	160928	175383	176142	167633	158708	104871	109011	169572	170956	159933	159432	212407	170748	87797	87234	74544	72956	81021	75145	83928	85091	60029	58978	94442	90206	92243	92522	104777	102957	85817	87020	102494	112764	104783	104015	92203	92719	96933	97564	99787	99299	101435	96770	73899	74612	83167	83711	58130	59690	90512	89881	75859	78988	101016	104063	64991	63927	96609	100899	114850	109813	70353	68141	32965	34618	29281	34069	40793	43411	23286	23378	66472	64589	37305	35744	51511	52434	31854	31833	39657	35474	25273	24851	52708	54151	81672	82101	33960	34495	55492	57064	73084	68599	33181	33484	65216	66513	34022	32212	53654	53801	30393	32865	55766	62337	59473	57096	68003	67009
303.8952@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89292	111066	89532	86066	146711	139743	79259	79066	86775	74815	67310	67292	169555	148451	67450	70119	64922	65787	72611	74169	89861	91121	106660	111001	108295	114607	66650	73965	217088	216270	187235	206477	190300	208568	122061	141742	221525	239669	175046	178839	75707	75170	163049	169356	97246	90906	102524	105336	62301	59100	89571	102893	92982	92512	124938	100751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
157.0262@0.93399936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	521819	535278	487690	473389	556006	569690	549982	542852	569275	562859	505974	487085	561629	574351	436322	419636	521264	539313	546958	528945	471900	494496	348914	333138	480380	503021	458506	467259	462311	455692	445617	463778	516094	502760	398821	422299	573906	557254	613398	629331	567701	566943	582403	568264	541328	548103	594016	589379	565609	546750	490566	477401	578904	559830	712462	671295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Methyloxaloacetate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61556	52248	178474	179374	580157	571006	100043	95919	65270	66112	64864	46575	846513	876888	32619	21112	84990	83386	118284	121242	158414	171102	667494	521441	357529	386500	164139	167874	1491080	1548135	802684	822687	819228	818309	23849	34262	721225	747179	444888	471549	163068	158864	568112	559413	150657	159048	132835	141373	49626	49901	69279	68941	1	60391	199391	123369	186369	175481	170260	281792	155043	150726	209129	218162	206894	300451	184075	85001	189152	96133	272268	101650	171279	185528	193165	78503	311432	218790	300134	233500	68247	201354	91071	215853	209801	227045	163782	171215	78549	210002	98707	201526	101105	100333	226303	221636	189283	202591	263118	170851	130344	89148	85528	212505	217144	53938	385454	291114	119721	350697	163327	266607	332906	261057	375090	417137	181973	104557	135363	84695	215152	212537	136595	226093	613863	348403	193511	228258	69019	92152	182451	88063	267732	221975	80405	504763	360729	65572	214842	200928	342385	386555	183915	209309	136567	90516	360110	185087	302772	495168	296024	261413
289.8659@0.860084	148319	148595	165736	153565	161463	161837	143107	145958	161263	162074	173540	162477	178404	162844	144228	141460	149558	157755	152962	154841	151160	149221	127443	134910	155550	157597	142260	144966	135280	144636	198712	192151	205194	201088	200368	197641	202226	198702	186200	189812	195276	198402	184022	188143	176001	178616	187460	184665	181891	181289	116504	112792	192544	186493	205500	207853	206962	207255	141740	141745	150852	139904	99962	95644	177123	177993	175979	180865	161928	162626	74253	66970	93360	89047	149121	153022	175995	229300	190165	188253	88791	89754	101188	103215	166177	157541	52704	59989	61328	62443	62827	64821	71534	68328	63340	62664	86239	80505	153051	140152	91648	85446	116857	122063	133253	126599	169978	168290	120516	129262	139009	132440	136648	143535	167173	166540	192702	193441	132782	129100	194678	190542	189675	192488	190532	182142	181487	181560	177168	171905	191571	184284	173963	171495	177219	180226	195170	201161	176784	177490	191192	191656	185685	178142	214961	216830	178341	184805	214166	208218	196034	200416	194730	187414	108985	113556	188474	189755	127417	123734	176907	180456	206200	198905	84057	84914	93677	94054	77157	79186	142401	144400	77951	75982	97204	98115	147424	144777	97787	99431	93820	92277	98413	98020	87814	87875	72032	72941	103600	100698	84993	88845	86481	91953	104371	107066	76889	79726	102123	97261	99672	92640	176137	166567	87347	93738	83452	84611	88817	90992
58.9829@7.8739953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45776	49437	38256	32439	129608	149631	7443	25502	53386	60733	49369	49232	125348	117724	15961	9537	14965	13228	1	1	1	1	143229	154260	64281	60716	13720	22626	49431	49806	181545	188513	76598	72444	30577	32299	57188	66304	60581	68228	33150	60475	74085	77358	69807	70326	42188	127129	45153	41260	22960	1	71876	64135	28095	49043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
431.8426@0.88173443	128516	132215	126884	125115	128148	130315	124330	123634	154067	150439	130521	127573	123295	116091	82457	73668	138067	148251	116734	122523	115226	114092	97323	95286	129487	152083	109488	114029	103150	114104	142221	143142	185083	182115	168934	177730	178831	179091	123271	119385	164811	179092	117918	124326	73042	62378	101180	102614	133716	138765	61872	69103	111612	114532	214886	210941	194926	196508	146608	147840	101209	104880	116322	104894	137505	129184	152074	147217	103583	101897	82096	88179	102145	98282	151488	155587	144915	121898	71323	80127	43249	40995	80545	82097	85074	91190	60805	55729	60982	71642	82437	77942	53393	60239	78635	76543	90675	92080	141044	134733	101385	96772	118794	118252	127593	133585	155608	157304	87816	92269	135053	135414	151461	155962	112787	104920	131414	134850	153786	152540	149020	149760	137991	139232	139416	134381	122689	124364	88399	84350	131563	131342	91701	84213	92910	91479	146329	138143	110590	105717	150508	160007	111087	110646	158968	164085	125244	122956	160399	163067	152939	159765	133479	136442	72654	74324	126113	132297	143081	145376	101382	102003	106071	105935	64568	61843	97143	100044	88410	89990	141738	131653	85548	82204	119519	122998	82119	85805	97854	94031	111590	105621	108469	100282	83583	80674	92584	92430	123631	117988	68528	72045	137170	131957	93245	93146	96505	104541	94402	99243	85988	88589	71032	72170	96360	91927	59531	72579	68551	74038
C24 H2 N3 O15 S	89741	89937	85329	83503	131847	134395	74801	75720	92898	91085	125797	128254	111924	109640	107419	100834	82210	84191	97427	98482	141960	140022	66909	65736	121737	123299	115467	113558	80020	79914	272528	273021	279198	272820	293879	286239	290866	281407	271849	265127	276427	278215	296182	300214	291822	297304	283291	280996	312235	324817	307048	301816	286536	291269	332526	327070	287677	284069	69474	70036	75096	72807	29115	28315	98909	93562	96000	96521	96665	94346	12450	13058	159189	148891	172494	169143	108253	45055	24861	27145	8972	12251	19816	25503	78732	85924	5983	6895	16242	15363	17656	16967	32436	65497	24956	23243	36113	38206	164442	166760	52749	52546	113094	111078	111343	113699	189492	189970	116044	114886	134712	132086	171188	120519	169483	172806	185875	179423	160099	157607	169989	163118	193431	185060	176193	158732	164779	165691	162506	161415	175200	175521	161191	167588	162096	166427	175084	172035	173887	166882	169924	167351	175464	171876	189242	190837	184583	174424	193509	201087	174140	172738	186351	185611	145671	150066	196036	199435	140673	142475	171517	161356	187803	187145	208236	207299	221809	219240	202674	202773	268867	260317	161146	163877	228771	214247	231059	236997	248893	231523	214095	210117	260469	258435	180126	174242	134052	136829	233763	222174	162827	160757	155617	159837	231475	231798	153873	155478	234183	238715	186574	180457	277497	281995	185123	191666	155941	151877	172137	174433
210.1624@8.937802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19854	18516	1	9360	1	1	12358	13267	8097	1	16360	1	1	1	1	1	1	1	1	10896	1	9465	9847	12728	10016	9554	22498	24460	20157	21009	1	1	1	1	31586	29519	15076	15979	24419	19120	1	1	1	1	1	1	1	1	20673	19578	11521	10132	189731	40975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19345	17253	1	1	21260	21970	1	11224	19659	21910	20471	25582	22832	26490	12931	16750	22255	21712	1	1	1	1	1	1	17358	17154	16371	17842	1	1	1	1	1	1	1	1	1	1	12568	14313	11378	10133	14608	14882	13098	14207	17471	16937	15196	17357	16742	16377	17033	13508	17362	17164	16132	15973	17096	18360	14615	15763	17247	14860	19686	16641	18210	17613	16585	16687	19863	16936	14375	11338
C16 H4 O17	109852	109295	111439	107290	149499	147365	97544	98473	111403	113093	136932	136403	125798	125457	121129	120579	105347	102029	116133	112285	140980	140089	91681	92215	134181	142859	129194	127571	99050	103584	236381	230239	234041	233788	246229	244621	242293	236878	234101	235859	234143	242527	250368	256181	250056	247719	243536	241855	265852	276097	267273	259475	261088	255714	280497	276939	255222	253482	88266	82538	90948	94619	54459	62623	110646	106036	109195	104271	106012	103935	37022	19573	179415	165363	171817	180551	117963	59357	41528	44923	30167	30068	39938	49480	95074	102978	23697	27100	46287	40920	41992	44722	46681	90429	56119	53623	69513	71366	172295	183818	83029	81935	143581	144278	136814	135727	205667	204980	143254	137888	157166	156814	202555	149949	193240	189700	195023	196161	174339	172498	190026	185014	199794	194426	197275	183724	189950	191087	186981	182795	197387	198913	186187	177817	182930	185208	193960	192862	194936	188237	188031	189699	195394	192618	197660	200366	201333	199014	196829	204642	183123	190380	198117	195416	157944	162932	199388	205046	160615	163408	185236	178181	198880	189441	219051	207236	221243	211539	202472	202070	259254	255879	184818	178578	225972	224844	236937	236864	239944	239622	221938	222496	240542	241483	203537	200474	160098	163888	232279	224949	183413	189606	183323	191784	232161	235363	188641	182469	226452	236780	205683	204083	271593	275929	203170	209056	183094	185850	199305	198852
C27 H48 N4 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31184	1	1	1	1	1	1	1	37264	18483	36728	19545	21399	19366	94447	159982	90675	385074	1	100028	91839	33463	23754	18258	57644	19034	40315	21035	39036	39269	25859	188890	33380	101743	122524	40865	27566	33229	32466	29914	79921	168874	45904	28096	34822	123664	187753	30128	30463	2734982	41519	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83496183	62535	66039	61787	57620	111457	108095	48968	50246	64817	67462	102108	101961	84810	84029	80458	81483	54541	60723	72385	73173	126305	119905	42254	40132	86362	87251	80063	78559	50043	47450	308010	320540	300971	306183	324058	323611	326923	330051	286869	290574	314168	310287	327786	344903	318104	310437	298704	294293	351496	356806	346437	343920	307294	304926	385218	380413	296023	306387	47487	44795	54059	53946	13440	13430	75017	74358	70308	73559	69264	69000	1	1	122180	124972	151039	147847	88103	32212	13798	16057	1	1	11582	12062	64904	69767	1	1	9863	8754	8769	10141	35843	35228	13396	10074	18811	19326	135363	135880	28136	29344	83225	85317	82712	84541	169559	173643	81996	83069	99842	104445	110770	88418	185095	180049	195613	190199	164606	164954	173969	177647	217850	221014	176086	173789	186263	185255	175523	170285	184373	177424	162400	163535	167598	170521	169821	173651	166905	162660	164572	162152	171932	168043	189249	189140	184954	185946	206993	202163	178348	175590	187943	191645	134425	139161	204179	208210	130642	125270	169484	162328	190958	199714	188032	191510	207154	210131	182742	181076	276123	269308	122649	125939	198957	205774	206613	208652	228329	228156	197977	201638	263300	260179	147688	145242	92410	96596	218405	213507	127249	131537	116462	119562	231862	228090	123918	125628	225625	236907	149921	148859	286205	278840	157346	164744	117052	122604	148930	149772
375.0443@0.896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15290	13508	1	1	1	1	1	1	22047	21027	1	1	1	1	1	1	1	1	12073	14583	7934	8306	1	1	40435	40531	26608	24730	18605	17724	1	1	23951	23733	12431	12922	1	1	8586	8556	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Dehydroascorbic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32905	44239	34512	54530	260090	268621	33566	13405	40125	33899	18506	28565	242110	277868	40670	32304	39416	45529	35624	35637	22508	41392	137305	128401	57223	62316	7811	16426	808686	959165	230056	263703	314296	338498	94849	17586	458156	453228	87029	68856	20965	1	85939	58744	39416	11915	35643	24696	30057	1	105366	41493	72367	24745	147124	78167	17878	12053	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7553	18073	19601	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14134	13112	1	1	1	1	17004	18362	1	1	1	1	1	1	34441	35792	1	1	16706	16037	25704	25359	29928	32644	19773	18469	25968	23443	110426	115847	1	11362	40792	41268	93228	92900	10768	12933	70708	68150	10318	12680	27991	28913	1	1	23551	28312	107869	100657	41984	43120
299.8946@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135277	133002	136768	139422	83203	85765	172037	171120	160398	167079	150336	149293	53698	54032	87695	84313	136191	140368	152208	201116	154890	158671	66999	64408	89016	87003	159010	143953	44582	38479	53697	44388	51104	49093	62722	62934	52407	54343	63306	65396	135982	131152	68610	64871	101019	102957	106745	111392	152323	161073	106262	109793	131616	127302	120721	121042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
217.9335@0.8549997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87658	86250	45409	1	1	1	73288	72422	1	78734	69184	88655	90055	77549	1	842332	1	1	1	1	1	90505	1	1	1	72287	1	1	1	1	734729	1	47120	50035	1	1	1	1	67609	1	1	1	1	1	1	1	1	1	83007	1	1	1	1	1	465627	1	88462	78666	72068	92068	60302	63045	74520	87095	69596	90792	86511	79765	84843	82996	80503	72370	93814	89867	83386	97984	105683	89287	83033	833063	94801	76839	71632	82833	82103	82765	52156	65526	79196	74365	90292	111377	78597	64923	91987	84581	57776	1	1	79492	1	1	86557	86865	89650	88553	31023	1	38792	1	1	1	48956	56327	1	45276	42511	40432	1	1	1	1	1	1	50626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43290	1	1	1	1	71463	1	1	1	1	1	1
Furfural	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48774	52175	44249	50093	236479	189882	62461	54251	52641	55559	16148	28264	118081	129440	43473	37690	39242	51849	59919	71099	84169	69129	167270	157950	184996	205163	34763	35328	380929	360948	178285	190787	148186	127664	1	36403	249105	262437	178464	188078	89488	84953	287858	280121	66326	71815	72112	65103	46308	45973	90223	73775	61470	62821	81230	100895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19740	15203	1	1	1	1	1	1	1	1	1	1	21005	22847	13049	14003	1	1	21542	24492	10770	9666	1	1	9389	9243	1	1	14561	15483	1	1	10846	11725	19116	18580	15745	15541
C15 H9 O14	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14204	13554	14845	12995	48440	49481	1	10702	1	1	1	1	86195	83915	9199	9592	11303	1	1	1	9471	9064	46078	51941	26857	34272	1	1	152339	152070	90511	98985	69840	73848	11667	16558	94404	93604	52233	56626	14995	6287	34140	36599	17871	16870	14506	13526	1	1	13733	13333	14007	7132	16631	18062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
231.0652@0.99399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	99450	98210	95630	81501	94343	112577	114848	114111	89502	109294	102009	89355	56720	85106	86326	67357	72735	85191	87702	94015	81679	90744	70562	68344	78567	76630	83552	69997	44187	62587	32439	65562	74884	51323	82722	85010	80171	80579	80718	66803	69623	84210	78722	48919	86577	89849	81220	79896	70386	83357	74597	63241	83540	78395	42263	92531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
757.8279@0.8389993	135305	133059	138355	139982	107068	109255	150440	148142	135907	138460	117324	110615	120583	118908	128353	132655	130033	134512	132382	126901	101824	100725	153314	150717	127607	124965	121622	125467	145384	150613	22157	28057	28671	28253	22154	20614	25427	21584	30425	29625	25671	26437	21920	19369	20405	22585	27773	30604	18172	19323	24877	24234	36609	35434	18428	17479	32534	34687	79783	73059	85398	82244	107442	104890	66324	62960	65126	65213	53060	50956	64982	69449	133017	138877	94201	92981	78669	29353	36242	39206	48291	57189	72899	86248	53922	52234	53012	59932	96809	95378	99333	100775	180441	183179	131569	129890	156112	150059	116173	122639	173247	169179	148327	149853	142926	151698	69311	65519	149482	137368	124262	124943	220301	156832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
263.9832@0.83899057	163145	166473	178694	183839	176961	169683	166938	164708	165596	169506	167281	175587	174095	171685	176985	172615	167134	160047	162611	160276	158433	162015	155238	157904	182293	191169	174119	168991	167860	173476	165021	165842	174871	169239	168090	159411	169875	162383	175020	172472	169571	170264	168755	171943	171333	176558	172801	187291	174736	183865	181080	184764	205948	195755	187657	176671	187972	200025	87482	88866	96572	101628	74713	77376	105894	107050	105244	107563	107108	111257	51321	54914	142128	137767	143065	147982	111713	70842	61864	63044	47321	54527	61440	67416	100808	107446	48135	47743	67431	72478	70453	69337	58156	120134	88933	86514	100271	103425	152814	156822	123988	128502	137124	146540	149099	145078	165365	162227	145884	144205	153680	149672	211715	158980	142752	145396	154244	162305	141601	148539	159727	152625	147543	139467	157222	142969	146826	160131	151587	143178	154810	147998	153822	149159	143887	149143	146519	148316	160634	152933	149738	155214	157367	157099	154873	166724	160361	151296	157086	159162	155603	158044	159829	157520	139255	140409	157580	160306	158361	149567	165350	156838	161866	150331	156198	148162	161776	155575	158491	154268	175442	174676	153031	154728	162645	161661	177033	185364	166715	161944	155953	158001	168094	166639	164926	166872	152985	157004	164266	161614	164157	162558	163731	169086	162806	157412	160178	159074	164994	165925	163283	160160	185150	184230	161878	164531	162677	162485	174031	169118
357.9291@0.8221423	40156	40758	43797	40586	35090	33342	41202	41142	45909	42743	28788	38491	40289	38531	35975	37043	45209	43705	38844	38732	34319	33221	40203	44820	35807	40742	39774	34887	42539	42467	19219	18715	23094	19960	19214	21611	20628	19409	20240	18737	21147	22085	15702	11885	12955	12215	17076	18194	13111	14213	11904	13441	21653	22030	19209	17777	27526	25427	26588	26732	25319	25397	33766	33055	26351	25073	26738	26055	25937	22351	29226	28101	34732	34046	33387	38314	31044	25427	15533	16859	16450	18092	22132	27928	20467	20852	28588	25744	31973	29385	34978	35403	41765	42850	43247	38316	42523	46389	37239	38034	47094	45599	36236	39671	39282	37430	32501	34673	35665	36967	36536	37775	54877	43158	9734	11108	13490	13623	13645	12675	12537	14252	10863	9585	1	11162	10428	10015	8877	8472	11697	12122	6949	7141	8902	9528	11510	11000	8870	11059	11154	11262	9161	8643	12948	12903	10215	9904	14786	12041	11820	14429	10038	9309	6466	1	8289	8707	12693	11561	1	7959	7529	8848	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Benzyl 2-methyl-3-oxobutanoate	48207	60675	24670	21244	14272	18206	16611	25210	26696	22682	28403	26355	48294	50703	69627	67173	41095	47006	33374	29521	28559	37350	38297	44507	19785	19591	23016	26925	18295	25313	11854	60713	12699	29607	9028	8008	12382	9678	16703	19607	20302	20129	9169	12848	47110	6056	22202	24839	1	1	8396	10138	25525	29145	1	1	19933	18056	11999	13897	29966	30687	13356	14230	14029	12884	1	9115	17514	15263	25104	25114	24839	21550	9051	13137	10948	10846	37673	41269	57296	63751	63034	73254	28511	26061	28256	27437	33210	33914	31296	30595	24852	21808	40902	42386	58449	56152	27413	24274	53799	53765	29422	28189	42802	37670	10246	14120	58230	53877	26379	24485	15646	36211	24313	16647	11901	11094	17904	17465	10101	12725	9993	9959	14631	12913	8572	1	8625	10946	6964	1	16553	17712	17797	26266	17418	18482	12570	7656	10985	21319	8604	1	14708	11731	1	1	1	1	13159	13310	13631	11242	31711	36080	6848	1	21182	13246	11403	12224	12719	13421	12671	14547	11657	12245	13020	10729	1	6978	20540	24931	13034	13052	51688	48600	8781	8952	1	1	8744	7893	32211	32414	41057	32511	23811	27586	19655	17163	13335	15556	19598	19886	23333	28292	7817	9464	24638	24218	1	1	16240	12475	1	1	27911	23241
Beta-Propiolactone	157781	174210	156800	160896	109955	101416	152618	154529	178958	168914	116364	102949	125345	128191	119005	129548	154534	168718	141112	130453	104043	99659	160586	157599	111463	118852	146757	143281	165287	165867	112005	100477	190683	175564	125613	114226	93181	94267	190488	218033	117616	114516	129010	145365	132929	130960	195521	199735	55057	59413	45212	46746	212628	222549	45997	42249	172409	183251	34902	38484	33140	46046	1	33706	20306	23037	26286	24522	11134	11688	37726	37314	37562	36036	26560	28256	37296	26346	42184	40749	34026	30658	66011	68065	31225	26490	101954	104880	44142	46023	30706	31684	15471	28125	61830	62111	51211	69564	51664	50491	55308	85542	39075	41529	43499	45993	1	20162	44004	48831	43244	42658	56940	37293	25220	1	25085	20059	23279	18811	21389	16255	19113	11268	18262	22707	33283	27445	28009	28655	20617	19344	25524	21622	34178	23769	11203	23480	19531	18817	12700	1	27728	22906	1	11591	28627	15848	28275	30583	15730	18832	38329	32236	40850	30577	21320	19037	27778	17591	8430	25742	35723	35930	21706	26632	17731	26057	81677	70229	22054	23616	150151	151055	36002	38791	60487	55675	30367	24010	53635	43249	15438	15356	103782	109080	59538	61592	31298	22093	69158	69978	45676	49026	23326	24319	48923	50266	20123	26424	58681	63517	55437	48448	89897	84439	67661	71011	106282	89548
cis-2-Methylaconitate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21135	18450	1	26949	32745	23454	26100	25624	26538	25909	16641	15860	32697	26428	16781	19510	20664	22054	13569	18807	30843	14193	79952	75298	43736	39551	12609	29968	474849	483620	120264	89923	37883	40561	1	6169	119073	133409	65293	46280	28257	23781	115677	77582	13610	12516	10372	11362	1	1	24780	25520	8074	9829	38108	19754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
369.8844@0.85105246	74992	85059	87629	78779	57006	65321	82259	80159	84151	86709	62416	60603	74537	69994	71488	65197	79534	85578	62878	80655	53900	52425	82536	83435	68614	72958	72520	67639	68791	89712	26085	28967	27335	23878	28268	28894	27164	33992	27903	27758	25579	24663	21425	23046	18940	25600	24382	23228	20829	22593	19884	15617	24611	26931	29192	30194	34607	36465	120825	102121	121395	118007	139135	130641	105287	111735	120034	115758	88381	91704	121187	124418	87560	81216	98094	99584	111250	86938	80583	100228	96521	90329	111954	109975	81180	88633	90838	100328	112036	92005	89917	110798	82278	82803	117707	107514	132353	130216	100775	94924	128052	127894	115283	114142	121473	106652	82099	83918	114096	109580	103044	102315	111123	124752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
387.9306@0.8865571	67410	66217	64338	59670	58771	58622	63654	66358	67732	65599	30056	34974	67242	62605	53873	54670	62905	63917	61181	65093	25695	48949	66024	66064	57939	61984	59994	57604	63703	65206	12352	35525	46298	18356	14301	12159	9123	29679	41110	13924	25554	23421	12159	26258	28252	16135	17987	14971	15860	18631	23980	25865	41540	40875	14946	22211	72807	68585	155917	148912	171454	164220	160482	158662	151610	150817	148087	149577	96665	101369	112879	115825	121303	120853	127370	129084	150857	119369	141208	145483	130670	124802	142580	153055	84583	91018	85413	86623	107461	110338	115511	118348	123406	122283	131635	126567	157192	157830	163389	170946	166679	175294	188335	189445	176494	178325	89569	90888	164342	169212	173652	170887	200665	197656	46953	45868	39406	37915	53902	53301	54330	54286	18582	18105	47512	48251	57581	54503	57641	62202	46316	46051	61603	62974	56160	56754	50001	52562	52074	54971	56704	58523	50254	49988	39074	38652	40599	40385	22542	23221	55761	51360	33242	33470	65866	66080	19995	21882	86951	84340	61556	60274	24202	25771	7529	8342	6562	6599	11216	10456	1	1	32221	31613	9077	8116	18736	17270	7428	6665	11951	10336	1	1	35480	36926	55187	55140	9625	9902	32381	32462	42816	42103	6626	6752	38630	38559	6465	1	31249	31727	6763	7329	27516	27975	40977	41502	35643	36580
C12 H13 N O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39380	40664	54999	55525	14231	11974	37645	38670	15682	15897	57752	55286	57348	56072	32568	30709	61954	66796	65020	61026	109288	98738	106470	109564	183052	175593	117476	109774	95516	102668	55817	59588	40894	38663	41021	51797	107746	107386	122949	122137	94512	79993	124171	118966	63087	70422	112677	110602	80995	78380	75206	74655	83079	87909	69414	76405	44092	44145	57505	54616	78071	73820	83693	76359	14616	15275	52876	44616	48902	61841	71687	79900	40787	43631	70705	70493	62206	59734	28527	36333	63186	64504	72501	85046	76225	64398	39152	38438	57900	53774	39388	37010	76204	65422	27308	25302	112574	85987	41807	48689	101388	120799	57863	56266	37312	30959	1	1	10049	1	23297	27178	1	1	66453	57495	1	1	45221	47097	1	1	1	1	1	1	60845	62435	50553	56279	18086	18508	13250	1	36637	37018	17295	16281	48652	52207	1	1	42134	43057	11604	13055	22004	21558	1	1	56043	47982
516.9861@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78161	66187	68225	76060	104449	111389	45895	41049	53093	57355	85234	87649	118394	120826	72430	71617	69756	72616	49059	27416	35320	35938	85919	88622	90749	104705	89774	92743	125667	124380	95908	126074	135333	132439	63252	84332	57983	153723	223864	159749	64028	62404	141520	139923	79754	88197	87532	87572	101813	99385	90973	94380	84279	78999	106952	92626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
535.9333@0.836715	96821	98959	89543	91856	134456	137459	87387	87674	101787	100875	127082	130094	116963	112650	108731	111741	95068	92722	105753	104714	141669	142497	75216	84306	127844	136237	126660	125104	90272	96314	251271	249107	256032	258023	267838	269265	265335	256928	247254	242315	247613	253742	266388	269699	272772	263058	253026	263349	283950	303407	282763	272564	268065	267360	298524	296229	268976	272917	84398	88167	92024	90387	51368	54214	114600	109147	105694	104994	102690	104057	33592	32227	165049	156200	177467	168108	115150	57271	40363	43964	29777	31892	41386	45369	91662	99561	23465	26585	34206	36644	37014	37549	42246	84655	47391	47714	67381	68572	175425	172655	78328	76247	129599	131800	129928	124308	190791	186609	127581	131918	141124	144675	191530	137234	168450	172438	178100	178823	160015	157150	167692	171147	189080	179520	179501	168532	163946	164564	166701	162922	178780	170890	165148	166211	173660	174405	175710	172097	170207	173376	168325	169692	180381	173093	190282	191149	179966	183092	187958	193780	177094	181023	185975	188894	146439	149520	196721	191510	151637	146141	172564	170524	184490	182605	203864	197551	212302	209724	194865	192834	256959	252211	162528	160691	213790	216662	222978	233879	233045	224363	206174	213760	234379	243986	173246	179607	143145	141939	220218	217748	163642	166619	167845	168349	223584	225749	157865	159519	225084	226106	186436	184670	264973	269336	188671	189733	166798	163897	182477	183334
C4 H4 N O4 S	37271	34786	39571	40313	41729	38833	38626	32623	46622	45639	41007	43508	41277	45598	30754	28605	46385	46374	37827	39896	35306	40333	29895	33344	41398	49159	38014	36026	30375	36062	46646	45578	50118	56634	47473	54843	51462	56117	45101	45200	51932	49291	38418	40740	33823	33837	39104	42444	42565	39951	23881	23366	49056	48455	59067	60196	61528	59648	41630	41525	38509	38417	42842	41288	44101	44064	41524	43796	45008	41404	39854	39434	35138	29600	50760	52181	55437	54406	41848	45784	30521	28985	38167	40799	43693	46222	40213	40377	39182	40557	39764	39999	26885	27887	45718	42613	43802	50441	45666	44761	43230	44209	37735	38628	38826	40928	48404	50838	33898	35409	50694	49817	44148	49026	43040	43607	48330	49772	51110	52141	50910	51386	44282	41635	19224	42662	41267	46911	34694	35676	48349	49183	34053	40812	41924	41226	49092	52052	43827	43628	51789	56726	46637	41142	53159	50401	41737	45306	53435	57678	52137	58458	51157	45827	33906	31030	40905	44710	56396	52619	43025	39653	37491	44443	25496	22902	27170	24630	21086	25413	37105	32299	28870	27573	31983	31325	23824	27244	29122	27343	30272	30345	25339	26053	30092	31543	30885	32355	31035	29681	27294	25755	39278	37900	29195	30581	32092	33818	30151	30964	36252	34040	29271	26852	28612	31567	26311	25377	29070	28521
498.147@9.397872	12846	11545	13507	11698	13790	12707	11868	11952	12712	12537	12666	13393	11560	11165	12208	11771	11486	12566	13830	12460	16335	14469	14145	12646	17743	16432	14168	14173	15348	17577	16281	14998	17367	15116	16954	14241	15558	14494	14338	16138	16376	16104	15839	16338	16225	15134	14936	16918	15322	14467	14567	19069	14785	18373	14363	18003	14996	16160	10082	9778	10803	9774	12737	8107	9124	10455	11236	9842	8381	10561	11365	9758	17168	15749	15178	16616	12993	14146	15656	12976	15190	17513	13452	14611	16061	16592	13022	14794	12871	12532	12617	15013	10673	11824	14398	17590	18332	16128	16306	17386	13239	14611	16911	14606	14598	16152	16127	11341	13525	13930	18282	16492	165054	17821	16674	15015	14295	13228	13232	12025	15289	13739	15471	12785	16044	12301	13918	14552	16170	13419	13702	14633	15109	14777	12536	14328	13056	13785	13541	15926	15740	13887	14257	13697	14302	15708	14180	14600	13849	13559	15221	15234	15672	15234	13461	14212	14065	13623	16323	15789	16166	14792	13277	18308	19901	16933	16098	17645	15390	15523	16234	14401	14550	15636	16162	15606	15269	14514	17321	15571	15533	15764	15866	16278	14461	14195	12753	13455	13654	12860	13914	15048	14015	15294	14945	13688	14952	13302	14027	18955	15581	12358	14370	14666	15789	15592	16347	12730	13755	13953
C4 H4 S3 nullnullnull 1.0909997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143178	233178	145421	231241	74613	181578	231970	234666	173237	232772	182627	167235	164834	72874	196922	51103	73452	184135	195094	188681	73659	72794	153080	124737	164524	181837	80286	53619	167954	113058	115050	148068	72502	157343	561052	302889	159468	200754	142562	201093	92529	255684	60522	230151	86732	83144	233619	199081	256096	264632	234750	98226	90221	188978	1	52167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
302.8837@0.88552725	78894	81000	82842	78275	78722	74511	83803	83503	82016	85861	80393	77493	81077	81016	62336	65417	87865	77027	75562	78478	72421	75453	74865	70725	81369	86142	69047	79236	76875	76421	84580	85891	104187	105123	91795	92350	94027	92525	77913	78532	98272	102994	73325	71139	64854	63459	71703	75152	72331	69609	38699	39242	81112	78167	81544	79861	119205	121037	111338	113329	114027	114343	89642	104861	127729	120229	131125	132564	112578	122353	98963	77312	82503	81673	141539	139359	126876	115741	83996	94995	59081	58808	83835	93977	105038	104022	81182	67469	84001	77068	84969	92849	67236	65116	99390	107531	106180	111282	119628	130926	104064	100244	122642	113131	126868	122128	134021	131514	113153	117089	136255	130447	158145	129989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37630	36577	54550	54164	177192	173074	21804	15797	23010	17580	54451	56623	61579	62141	9342	7712	36086	34763	6956	1	26542	28281	114056	115052	83002	87309	26555	27485	70061	66720	108117	107940	85475	89619	43641	14587	105557	106941	122652	123826	20343	15659	178671	174810	46184	47587	46935	47782	34506	33448	19431	22412	33414	34364	40225	59715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Thalicsessine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23531	22895	47553	44913	24742	23980	19800	19151	9900	7302	29153	22447	55468	51005	30207	28643	22218	23371	17883	15679	60503	58183	77585	104038	160617	147321	48635	40629	65994	63198	81905	80204	72254	71109	26783	25697	108997	103022	151941	154960	46897	46191	99956	94679	63492	53854	87468	77862	18470	13788	57962	50192	62835	58301	74535	64587	12969	12493	18764	15580	24290	25022	29207	24727	1	1	22245	20374	14723	14100	13500	15382	1	8977	21706	20125	21346	20771	21940	20771	13542	13110	7668	8976	12656	13522	21354	19115	12366	12777	1	1	24008	18640	8430	8697	48914	43445	8532	1	30659	29293	11290	11383	9165	9071	1	1	9019	7330	1	1	1	1	36251	38491	1	1	41203	39291	1	1	1	1	1	1	25113	27352	26650	29680	23758	19583	1	1	17632	18877	32049	25468	30739	32832	1	1	9616	14712	1	1	1	1	1	1	21378	21750
Hippuric acid	39385	41383	60043	48725	33532	32867	45781	43454	35643	36242	33917	33867	40567	34600	33342	28972	52913	50279	33719	33313	37965	42466	44244	41940	41917	36558	45613	47278	46346	50732	475399	459648	606362	642794	231258	239054	225741	210866	634658	617910	322407	312287	243611	241348	385756	385282	704967	710019	106807	107036	126184	133863	612762	587752	150444	149090	631304	607624	1	1	1	1	1	1	1	1	1	1	1	1	1	11497	1	1	1	1	9959	1	1	1	41907	37036	18212	10833	1	1	1	21307	1	1	15325	1	1	1	1	31147	22765	15549	1	1	24183	20100	1	1	1	1	1	1	33936	25288	13741	14801	1	1	24109	49784	1	1	14018	1	24098	41559	61921	26287	39764	17078	24366	55694	28705	56104	34974	19889	59337	1	43863	66816	19715	33930	37429	13245	36001	16208	14949	39925	32646	11035	1	1	40551	30052	9349	35135	24968	37122	28769	39975	38688	49923	47713	36809	56293	11810	17262	18239	286104	278989	89763	71145	58384	63431	59828	53616	80440	67819	162368	160878	77937	72604	318089	318138	153263	143374	99699	102576	239873	237689	83233	99581	195374	184167	325277	331196	101946	90050	72573	69703	66896	64354	209523	202354	161472	162662	33652	42889	221151	209300	287556	288575	99310	94700
L-Leucine nullnullnull 1.4100401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17916	1	1	30669	39340	1	1	1	1	1	15806	33358	37427	28305	19217	39955	34304	24470	22440	53684	100929	106245	100168	57585	71730	23593	22076	97065	120440	95760	112875	104962	91248	42381	44321	237022	234462	136082	140504	89214	88305	214505	200081	62389	76165	112516	110384	43509	42430	76720	84031	83722	79743	174371	151341	22617	23296	36685	37533	32500	33549	136852	137654	24470	25475	33344	36579	64439	59861	30516	32400	38583	39106	38262	36504	40555	41997	42483	39542	106638	109433	37615	36546	108669	104456	24394	25995	38732	39874	36872	37763	27799	30519	37450	39018	33825	32145	28586	28985	44486	44025	30726	30800	52281	56570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Benzenemethanol, 2-(2-aminopropoxy)-3-methyl-	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17481	23568	28694	26943	14074	16973	26102	27070	1	1	23309	21801	29602	18407	28775	33058	30931	35149	31630	33774	52747	55597	53180	51250	51551	57637	36112	43761	22673	16719	29870	22072	21433	21127	21833	23494	41512	34280	70530	53017	49818	53678	40661	55553	32104	31241	37450	54468	34394	26718	62113	67678	30630	45075	730358	32093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glutathione, oxidized nullnullnull 1.5427206	127372	129569	190392	200244	120029	118838	221102	228914	217260	214664	118565	119008	169709	175036	194545	189421	137986	134251	172819	177137	44687	45576	290226	288681	96263	101098	97485	95306	153990	155425	26512	28648	45656	43986	55093	54178	37206	36176	69427	62586	51476	49447	39110	40558	30452	31193	48278	46082	10364	11706	14203	15663	89223	86103	12974	12626	66672	67126	36696	34749	43354	42424	124899	120050	25119	25463	20020	20441	28131	28025	135043	140682	18317	17039	28170	27593	28118	30004	39641	40353	119585	111644	101681	99635	33571	32895	176575	179133	149180	144180	139322	136730	1	24312	163747	162535	126856	119011	38002	42514	122459	124737	36633	34494	63437	62991	25672	27328	33911	39448	37871	36599	65639	50939	54623	55389	66215	67833	57485	59527	77511	75413	35098	35650	54277	55876	81321	77367	65858	70318	69768	70960	75482	72036	63447	64668	57294	58285	64500	58904	73159	69691	55639	52675	52236	51821	54903	58334	51509	53734	67419	66257	57134	60619	84439	82567	52288	52428	106481	109029	54702	55545	54567	52898	25737	26648	34529	32875	24561	27507	9081	8602	28007	26439	40908	44453	42966	41549	27819	28165	49275	50593	11448	11777	44352	39967	31667	29498	49388	49206	41449	43923	23368	26368	28035	27498	31858	31034	28442	31797	40798	41648	15703	13977	34679	37059	49176	51099	30541	34496
?-9(10)-EpODE	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21275	22411	1	1	37440	41186	35298	21283	187259	45265	34261	28491	1	13463	1	1	1	1	1	1	1	1	30738	1	37549	15117	29679	20881	56468	39034	19404	1	50072	14829	1	1	43430	41911	24102	25263	70659	18195	17775	80150	35152	30331	22042	20971	134196	132837	59079	62515	111177	110659	48627	51425	138140	17351	77395	76615	27313	168295	32027	31837	102922	106247	14478	22339	27416	21635	22549	26152	76475	80036	30301	31562	53316	58329	115703	121928	44773	47505	99423	97772	69123	64859	119700	122303	21119	21430	23966	110392	26367	17193	34541	32184	67684	59744	18494	98642	44461	39499	68849	64361	33308	37731	15818	19569	1	1	1	1	20096	15767	96444	12769	31927	32135	28417	23412	28705	27103	31388	33899	38088	29022	1	1	49353	17661	81376	82508	1	1	1	30610	25134	24029
> limit nullnullnull 0.98199946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20526	20595	24904	26501	86555	77372	14557	14259	17393	17147	11832	11271	165086	167679	5555	5762	7506	6802	12848	12321	29659	26276	97903	100737	79558	82079	12390	12051	154848	156067	121304	121991	113320	119215	8638	8845	108355	107534	89365	89487	7809	6970	55413	60427	23598	22756	22858	25109	16625	16278	17804	17265	15222	14746	27386	29545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Alamarine	1370998	1440266	1207135	1234893	546989	557796	1186948	1157887	1178329	1125325	693659	704681	975894	975201	760360	773102	1481325	1479873	871872	897631	885383	920301	1245992	1301999	569355	582042	862926	875151	1387041	1462479	1	1	1	1	1	1	1	1	1	1	1	11499	1	1	1	1	1	10159	1	1	1	1	17051	18074	1	1	1	11582	9114	12012	22916	24595	8853	9184	1	1	7676	9858	11625	10518	51809	47204	41098	41214	17868	13662	11651	11436	30202	29909	93896	88844	163796	165642	14139	14181	151962	149425	94702	95814	99197	101803	18649	19203	101900	98883	133772	128853	23786	21135	120905	112684	32371	32245	66165	61689	29109	25641	103931	103164	104127	104424	54334	56432	16028	13456	19018	17287	28012	27549	16184	12621	1	1	14308	17028	20530	20835	1	1	13745	1	16228	13996	23419	21774	27166	17404	12030	11362	13796	13143	1	1	14446	19531	24171	14802	1	23571	11951	15464	1	1	51186	56019	1	1	37414	38206	19232	13962	15157	15775	1	1	23490	23265	30703	30317	27182	26288	39258	40621	14020	14220	145979	152285	19030	22512	21654	19992	1	13008	150665	148146	42876	44562	28468	27803	40965	39626	34338	31264	28470	27257	39955	43277	1	15453	51474	51733	23500	25215	31013	30513	26823	26097	40712	38520
381.0134@0.8469466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48072	56919	51878	55300	96435	76219	89411	31017	44872	50897	116277	95014	62672	63602	76849	64141	79497	74731	44312	32452	31340	32485	72492	75852	83732	95801	108803	121457	94855	78308	97660	111931	137589	145293	76504	103958	152479	154112	183571	183026	63450	64842	159986	151778	75058	77970	101042	99356	132178	129914	103959	100933	87956	93104	109852	101427	89182	92117	92443	96921	66042	69154	97630	100033	91914	91191	101313	94979	94726	93204	92865	94323	96064	92583	94979	93202	99403	95906	99710	96631	103741	103508	95130	94708	102277	98894	96949	102568	90360	97117	94529	91269	99878	99080	97982	89495	68922	69088	95109	97879	70668	72195	90987	94263	99175	92633	51760	52693	50584	49250	49272	45831	62035	57749	56206	59828	50796	50252	66254	72284	60332	63127	49513	52116	52882	55214	49781	49209	58396	58769	54596	53732	47919	45402	56930	58520	57925	59336	50665	54537	53535	52960	53155	50791	63604	69467	54318	51035	45976	46444	54028	52802
60.0212@0.9266565	15553	822576	102061	167042	1	3281953	138128	1176415	589677	590040	9214	110054	308489	173804	28672	878879	227222	130088	33248	871399	215545	115269	405793	79857	180894	116483	641117	444394	263012	140112	231259	542182	538350	557910	773117	373624	271782	336220	621087	1054693	315819	205826	347385	300107	292198	244606	618953	704588	132478	125991	127021	154822	651359	682225	77042	132225	474211	819972	584425	1	1398420	450570	1385815	590042	1	1	575353	1	1	492671	1	423124	1585351	1777258	1	1096851	1125906	595916	47376	1	241875	59447	72903	1	1	99641	309780	302104	5699065	373278	70617	92432	473651	168712	68292	77395	108101	85293	47873	1	98077	84626	46686	428140	45069	1	208466	1	49999	80490	31152	116174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
711.3968@11.893874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10246	1	1	1	1	1	1	1	23837	1	1	1	1	1	1	1	25140	20613	370386	239925	26469	1	1	1	1	1	1	1	1	1	1	1	37985	1	33121	1	1	1	108303	8402	1	1	55092	1	1	1	26311	8903	1	1	52463	1	11695	14695	34637	22109	44417	15788	1	1	1	1	16326	15568	20351	23222	69774	64216	1	13460	56238	62643	15343	11009	1	1	22702	25289	52200	49818	20630	19472	1	1	18771	20781	1	1	1	38270	22641	11550	55909	50128	1	1	60950	55716	46832	73569	1	1	9268	10776	14827	9294	22199	36789	19205	1	14018	1	36738	28006	15064	1	1	1	9666	1	1	1	17953	1	12122	1	1	1	1	1	1	1	1	1	27246	1	1	1	45714	1	1	1	14701	1	25818	50359	18295	1
Proscillaridin A nullnullnull 7.621678	53526	50886	1	1	1	1	18908	17736	49998	49294	9979	11680	25396	20159	34645	32158	28629	15841	18357	16248	10466	12345	14741	19262	15126	14125	71857	69699	20603	22728	467430	462064	267870	271027	155300	157491	375067	367216	113141	112436	352418	353873	218636	224385	1159190	1170026	102429	96492	199919	202744	23045	22657	94609	85080	70278	67977	266417	262009	1	1	1	1	52038	56008	53631	59280	1	1	1	1	53258	54093	16356	14390	12645	12346	89947	92966	47507	47237	17310	16172	12696	13826	1	1	56434	53631	105119	102902	12364	11776	1	1	60375	61071	33152	32263	62340	59146	196312	187057	30756	29925	1	1	1	1	16900	14668	1	1	1	1	11697	15487	12850	1	21493	23025	1	1	27690	29403	19723	18436	1	1	72689	75515	16754	18511	15082	13814	32210	28646	37182	37399	11110	9788	35127	35791	54716	55530	76990	75335	21393	22696	257735	264656	104254	100658	100476	99329	52319	53341	139488	140796	34520	35231	1	1	204249	200979	18598	19568	11384	8896	62881	64759	269168	266013	57570	56286	1	1	26945	26827	8816	8907	9112	8648	17713	18944	9579	9622	71822	72769	1	1	13136	10987	13251	12021	13851	13343	20234	20466	7880	9423	12943	12309	85722	82857	1	1	11269	8517	16256	16018
calicoferol D	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22046	26447	21671	24221	22904	29510	24954	27827	22281	25151	17429	20664	24835	32375	98937	121562	105959	108790	100962	100884	100308	100447	102842	135714	165904	167240	131441	124156	97899	97957	111730	101320	109300	123638	112922	112332	116639	134508	125319	135691	103475	132171	125306	129097	143184	131466	137950	148338	151522	145134	111102	125242	124701	117765	211702	135847	86104	87719	88903	89092	91404	80812	76254	89864	90028	83046	85787	91228	89903	83175	90015	99501	93294	93602	97096	90415	107645	101332	99520	96412	81673	90086	89105	94225	92024	95313	96916	100832	91353	89258	93824	92443	83370	91906	86871	84729	85295	96907	100583	103340	91785	89143	93813	84231	98000	97742	59058	58393	57608	65483	66784	68873	61026	73458	58540	70794	71481	46121	79582	82729	71553	65008	63023	64202	59483	65514	70157	71024	69501	60534	63770	64296	74876	67336	69626	64020	62627	67446	69773	61972	69590	68255	65084	91425	68571	73689	64713	72245	53453	59218	82361	84214
Fumaric acid	153626	158860	134102	141995	101277	101702	146267	138847	119372	132262	95471	101974	106257	111665	114652	109177	197754	152907	132307	130024	94224	99725	168481	171086	138605	131308	127606	142014	189089	185168	448911	464249	492243	522098	16539	21385	98308	26007	70433	67639	39971	39316	324861	324558	658818	676484	29169	31138	266406	277716	22727	17339	44890	33851	95303	102258	1105710	1159353	58420	63843	40890	35885	97230	92168	917873	918252	29661	31341	119623	28749	141995	144998	28641	29197	29627	24724	939137	925259	167133	175579	84462	110699	69626	70923	806581	781977	193058	206118	111668	104801	116920	109159	28839	18017	118263	111862	108564	95093	61528	64325	102868	93787	34685	326606	46433	55242	23114	29884	63791	68841	62599	60174	113895	45175	15382	13579	10764	15095	25665	24547	12275	12901	9119	11014	18816	18057	12807	14064	14523	13005	14790	15396	16060	16612	35768	40679	51989	53327	20255	19861	21956	22213	19321	19092	29985	28676	14649	15579	16518	16435	12285	12345	26893	25251	27405	26775	50308	50366	22484	26237	14442	16395	20153	19721	7540	9660	17561	15172	17521	22533	14692	16615	31432	30010	13259	16765	23214	23603	9037	9052	19681	18069	8425	7311	31843	38812	45912	47853	15013	16010	41472	37572	52319	56329	11738	8646	36626	37576	9610	8962	26551	26986	32924	27493	28159	24701	38644	39447	41984	39766
C19 H34 N4 O3 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	131690	139248	128791	127575	137576	128276	133485	136711	134857	135894	132538	127376	132795	129026	134536	114738	129090	120736	116466	115851	126956	122418	111131	114514	109253	121962	116014	116869	99956	115986	117451	121668	123846	119099	94307	139108	137737	133261	135028	133742	135705	147301	130308	133139	138431	136942	129823	136536	138666	130893	133138	127478	135325	134902	1034814	142630	27564	27506	25422	27327	25156	25726	24392	28567	29458	26384	24589	24102	26364	27750	28134	28682	26807	26649	25454	23422	23269	25040	25836	25116	24647	22868	24982	22439	24030	22619	21750	24445	24329	23857	27299	25860	26913	26509	25491	25587	26468	24569	27804	26839	22323	22561	24496	25822	24912	26022	23275	21924	22420	24627	21970	20774	22310	20878	21250	21151	20629	20546	20246	21495	14703	13960	12855	12529	12260	13462	11979	11682	10515	12594	12769	13104	12227	13046	12790	12869	13076	12967	11759	13709	13249	12585	11547	12040	13817	11918	13413	12680	15051	11274	13319	11564
635.3781@11.812006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47334	31874	58657	60439	138792	35529	78081	68095	19305	14351	120207	67997	191881	52539	42804	26483	40552	24791	30423	27195	251384	261671	1993774	638770	184500	72167	89767	64879	20347	1	20798	36699	91355	36487	16020	15345	251008	54636	219435	43546	84229	45998	347039	158317	37028	32257	718695	78543	16827	16856	279713	135170	31652	34409	167258	49334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
779.5283@14.190998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17346	1	1	1	1	1	1	1	19557	1	1	1	1	1	1	1	27523	19229	207374	47765	8652	1	1	1	1	1	1	1	15103	8294	1	1	25308	1	20478	1	7852	1	26017	13367	1	1	78532	10731	1	1	18231	1	1	1	15529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8724382	246696	253203	275775	270613	230843	222358	287745	288331	280426	257316	241832	239698	256032	253736	239390	235358	266388	273115	246122	263981	226551	220820	291421	287020	244562	254441	249405	253289	289730	287849	175593	173619	182350	193628	177509	173500	183579	181291	183850	191675	179990	180279	159671	161461	159196	162585	177554	180435	150463	156717	113087	106307	190004	177829	176872	179417	190606	194026	98237	100675	112063	115821	167104	169054	92219	92777	95545	98868	93948	92679	197288	198834	78974	78271	77891	80680	77419	76703	106596	105422	183596	191580	163549	167092	91528	96641	194503	192509	184356	188636	198091	185993	156279	146930	195618	188664	172969	181604	105604	98684	169039	169446	124188	121389	129403	128449	75245	77119	124496	131053	115516	110575	145055	135469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C6 H7 O7 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135578	71835	116071	109935	149971	142077	48078	57915	55397	47850	91116	39641	187047	200762	76297	85417	43855	88953	59552	54048	164422	160225	131035	137665	110139	114305	49665	127440	204713	207946	169592	181428	173553	179262	185611	176112	193287	195430	150296	159054	77721	80017	134833	135403	104697	107712	106857	90306	36614	36573	124850	95581	83137	86076	114279	100880	41514	44627	37823	37395	34785	46462	69797	38025	36573	40833	49653	43003	44439	37856	46150	46583	38960	26636	48698	48980	39935	44587	46808	44230	43174	37212	48242	42300	32891	45172	63847	38815	35356	42118	16876	36877	43468	44135	39000	36847	51030	44948	46103	39919	44191	45961	37550	39664	34767	31636	20961	26984	29570	26036	20202	20781	23589	17976	27046	27221	30479	25928	25038	23195	27332	28464	29329	28843	8457	26884	22302	23708	37899	34008	29815	30345	25431	25124	24875	26729	26905	29181	30636	27250	29487	21713	25838	25832	24437	23048	26224	23741	31497	31826	29292	27582
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C3 H3 Cl3 N	206399	200071	205755	201534	206195	199620	205672	198048	206068	174918	209608	199382	209109	207988	206616	195651	191307	213023	199436	202634	225378	216430	190796	201662	198485	217216	223924	217987	210454	219168	201179	205963	180412	178869	178030	183386	183100	177432	189787	195618	182624	180132	207735	209691	261049	248651	213472	218026	241271	245336	160190	153581	203488	200530	212106	206797	168095	175188	146815	151272	139710	141864	103063	105874	141845	142027	141942	145867	154123	150434	119513	122912	146717	145492	150203	149443	120552	110344	123433	132261	123242	115571	126158	127569	145715	139947	106608	99184	111700	112837	112316	116955	113098	120239	129271	127661	133577	137522	172980	164980	139577	132568	171143	168278	152445	154147	163397	163801	167237	175285	155673	158857	200692	156181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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445.835@0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	132497	132277	135216	134714	145958	142458	144873	133000	137922	130061	112446	107707	173281	176189	88832	86113	119698	119284	137292	152452	130948	125877	115025	115472	121295	128760	106653	98260	163732	155699	146653	136865	141504	132209	86067	79551	149238	146906	136549	129949	130929	123216	129189	123922	122792	129323	127615	124938	107287	107903	117868	120884	126396	126950	135207	148001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Actinorhodin	116280	109548	164530	166188	110534	109197	196563	194957	196249	195973	107402	109669	167091	160303	169457	171752	126906	122388	154997	151463	45378	48059	241447	239486	84178	90885	92848	94257	135453	143860	26840	28305	44442	41723	53700	55172	38641	40184	64474	67267	50403	47707	39292	41011	31021	31343	49183	48838	9473	10198	11160	12204	89853	83214	14485	13791	60381	63246	35946	38988	42107	40210	134701	134297	27798	26091	22090	20140	27477	28627	148648	154401	11819	13351	26994	25079	26613	26510	39707	40817	116861	107204	97313	91585	30406	31688	168832	174064	143581	141887	132437	134107	16275	16681	151484	153034	116688	120951	39235	36721	118565	113784	35355	37815	60351	55334	22991	23728	29951	31844	34381	33499	42451	42600	57710	57839	73246	70330	64672	62354	81543	85816	37597	38342	60637	59774	83345	82065	73642	72356	74667	73521	76851	79676	65982	72698	57902	60445	65796	66019	79246	77868	61035	59098	54736	54324	60847	60557	55515	59712	77591	71931	59805	59534	81741	80533	55784	55020	110024	108894	60413	56164	59117	58376	16516	16327	23505	24956	15629	16170	6039	1	17260	19204	28563	26479	29111	29251	20804	19989	35068	33596	7777	7270	28580	27891	23751	23713	32994	36244	29444	29419	17871	19454	18825	20048	24773	23988	20743	21946	28792	26330	9526	10409	25214	21949	39060	36461	20770	22118
Taurocholic acid	20349	18055	28447	9519	1	1	36173	10053	58506	59043	11117	10144	30796	31401	25240	24534	16469	41270	33404	31868	12000	13015	40412	44323	16123	19109	61869	60886	90431	94057	52268	54627	55709	58119	109921	48305	106595	94811	283432	281670	88853	87286	91512	94237	91033	89586	121803	118655	16114	17588	8455	8700	169248	166055	10537	9895	54324	55412	22051	24361	32631	32869	40689	41726	20268	20164	15877	15096	16378	16898	109029	112965	16353	15343	1	1	18293	18448	18607	20638	33397	31397	46589	47443	31944	32287	63638	63242	110522	109926	76422	78676	1	1	78335	81473	140015	139682	23832	24446	207645	211358	30456	32219	12614	13339	9169	7735	9748	37414	6626	6728	36013	10215	1	1	1	1	1	1	1	1	1	1	13142	11250	11498	13722	42723	44002	1	1	1	1	20393	20058	23274	20541	1	1	17583	16495	30126	32906	24379	25058	13185	11430	63488	60244	38072	41696	16385	17078	11110	1	40090	43298	1	1	1	1	63992	63660	88217	84683	77841	81852	1	1	40813	39986	54553	49452	64163	72043	25028	24661	73112	73525	76901	71184	76228	78011	147536	142341	46451	48025	56600	60525	103319	106194	19858	20725	52724	49765	25888	28543	52528	50805	191987	195769	1	1	97314	96335	298279	304002	82833	84131
235.8756@0.86866707	186708	185755	188805	179778	220235	216505	170481	168437	181148	177433	212081	206962	201525	199033	180470	179468	182878	184760	186616	183743	221317	221251	148581	144069	185970	207697	209218	215252	168557	174777	282759	280386	271017	287132	280280	266619	290607	280926	252373	262855	274483	281049	283294	290220	292106	298067	273697	279430	327496	330844	176868	178839	255943	260392	334325	335733	244507	258609	144165	149067	136209	140220	89284	94612	154833	149952	152671	152294	163782	165662	79595	77659	126096	121990	162391	167144	135274	135579	139636	140079	87876	87973	99549	100772	155185	155015	50157	45601	57946	61171	66880	68337	80908	79563	71871	70829	91684	92146	167612	159839	95115	99343	145603	143821	138150	141129	184020	180991	143448	144907	151815	145278	156799	145107	121362	128382	139145	130003	81035	85865	116143	115816	138727	134954	130529	129837	119044	122406	134300	121202	131224	126049	139813	147518	132542	147893	124704	132456	142443	132613	119295	115253	135570	141726	130748	131352	136740	124820	142803	141719	117937	123222	141959	136937	93627	83139	147411	140563	70339	69609	132412	134218	138479	152973	73940	69340	78520	85241	70562	72057	89268	89673	70806	68376	81324	74016	95485	91517	102746	94887	68235	66942	95712	98907	56922	56045	63848	60451	75806	77360	59652	62780	64615	61832	100157	94538	61266	62715	93272	91173	62219	60802	128025	115305	69202	68031	51470	50964	77162	68868
C9 H4 N6 O4 nullnullnull 0.8848956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	338823	333278	54039	57927	58303	34274	43567	43384	33338	34735	196539	194248	51021	55401	177688	168627	87087	90544	126276	61011	145155	142339	386877	371492	228342	220952	195688	198431	512559	506178	393193	389702	71983	74989	153272	176483	119539	124296	147145	156773	34663	32203	121382	132707	172042	178904	151001	144889	130461	130875	228754	238260	251316	253835	280235	206791	37378	39821	69346	74107	211979	214384	70163	83439	18885	20753	66226	62456	92210	76312	121316	115784	53339	56899	85793	89211	16831	14167	28608	28590	143374	140556	21247	22404	137360	146789	22139	26790	65338	67968	34696	27799	93598	87976	18939	19555	171414	184335	37522	38184	253495	244269	96107	97342	23119	25155	14677	13313	9867	9235	23147	19913	11421	11637	32943	31134	21005	19039	21599	25733	20648	20917	20567	22237	14396	14536	28297	29401	16418	18838	17969	17971	20320	23164	15361	14892	16434	15602	13242	15039	17202	16796	13887	21224	13058	13206	27854	28304	23523	28106	27203	35158
218.0427@1.2687843	461218	476969	172018	229926	133522	126229	132606	167703	281589	266231	122172	132225	270941	270595	325688	344514	209388	237606	324330	309853	172631	180322	298700	314093	47427	42338	175890	169548	132964	144380	111201	110472	183313	178512	410541	395741	160886	165406	423168	421389	226917	232417	168388	171613	135417	129247	260878	244025	78473	81973	61353	75960	547566	538141	65813	66758	264730	279623	599428	591767	471607	480651	1114314	1081255	820153	818754	601974	592699	398714	393682	676132	704275	410835	378059	468554	450235	465107	431092	549125	605812	713408	701245	795610	845776	471640	471419	995224	1000877	875429	927620	619943	607868	319157	369361	1091148	1093677	885268	885343	690181	689486	1394786	1378609	568095	568699	564448	571874	552801	560201	495637	520498	419661	419806	105601	613765	178276	155606	233188	235951	212247	227048	237820	252295	173486	174042	217717	207602	232704	236902	281345	285617	208727	206411	235738	230255	181660	191785	179550	170622	201413	186611	206299	204038	186995	172760	111609	116676	259330	255900	353206	351541	265034	256575	345093	330073	296282	304529	233915	231621	328261	330159	242905	240813	341212	331238	537468	547880	450773	447762	434109	431851	267120	264633	791170	822654	432181	443984	692850	703002	399701	402052	608075	595549	356191	361561	884362	891441	672150	689744	505333	502859	1494754	1481470	810161	829473	454614	472060	692530	701386	448661	462303	769581	760992	331611	324012	755523	745117	1119656	1097831	829688	844275
C35 H51 N2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11744	15777	68597	337049	49706	14105	125234	231250	72890	1	1	13977	14505	57389	504154	57626	79942	170403	91327	127091	97353	40058	231249	17293	208822	89347	53482	120807	139019	331677	286736	83355	1	1	20372	287859	204055	14972	50007	166563	393258	158142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
162.0504@0.9977285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	408830	156580	300655	278159	280553	251717	253106	223369	270679	249597	154744	159929	245907	204238	308053	303554	376051	403454	401457	333198	231654	297696	203154	143853	321259	287781	205231	222401	335014	317514	284701	301991	206297	190432	285025	271565	263998	200989	93211	100089	422793	159614	157453	380706	285749	308502	110038	112788	330701	318208	474706	499224	413961	412305	274508	329652	20755	20935	14337	11703	24872	24608	20360	16127	18832	16668	16185	19158	21603	20727	23143	27558	17170	17784	17712	18312	16598	14076	17191	19088	20427	19718	17013	16243	24571	28879	15457	18514	14627	10740	34069	32914	29725	28398	28945	32509	33793	29762	24277	21586	43291	41776	18102	23000	43826	29116	19397	12811	16510	16166	11466	15154	1	1	23935	27838	16334	19642	19067	15219	9004	9896	39776	29244	1	1	24665	26367	56979	44850	20743	20466	16029	18717	22892	22625	10614	11800	22593	20993	8620	11524	21770	21901	10816	9932	10934	8935	18128	19258	15508	19466
551.7754@0.8689656	113771	107534	110397	112747	116860	107671	97335	99827	125002	121978	113241	110789	113556	115109	67149	71844	122888	124546	105828	98419	104960	96729	76701	79112	116424	120038	92433	90908	89784	86846	171095	160989	204687	200264	184755	182191	194427	194992	137754	138923	177238	186223	145506	145439	102358	104617	127924	126008	152642	157844	73491	73506	126824	125274	221438	219021	205162	212917	169713	171253	129254	124836	134884	125469	169220	161974	178867	180756	130974	138414	130968	129448	101133	98840	192098	187383	196508	188836	122065	125744	78239	83421	114118	113175	120333	127032	118022	106410	105248	115380	121259	115208	60603	59094	124624	120736	131205	115652	163220	160289	124582	117464	133152	140193	145969	140388	203775	198933	107084	111207	160980	153145	169254	169009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Bis(2,3-epoxycyclopentyl)ether nullnullnull 5.1998196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54562	82084	43599	45851	35175	27918	1	1	58546	64020	36008	40906	117336	105847	36861	1	36031	35910	146861	155531	241213	186143	162542	172340	94202	71014	76677	64559	87040	50958	85794	51333	114441	139505	139504	76688	136597	145942	112543	97599	150335	133675	72000	91377	116816	74076	1	15912	241620	228525	106544	97596	131847	125823	187899	173346	129659	116153	181596	175809	115594	135217	109294	111634	133208	119277	87639	93250	110924	90963	76664	86722	129562	125330	180121	185455	171102	167790	71687	85173	63205	68552	64085	82680	126561	115021	82318	72687	86948	31851	94042	104422	101025	90912	345677	321787	95953	78643	146107	147318	69459	57796	92252	102307	54790	66291	53939	53019	163965	153681	53018	47121	105764	101972	94601	86284	177564	163859	52792	62890	30217	1	31224	33648	22175	72280	178969	172775	106117	100216	34644	34057	55090	40435	72136	85635	85193	87031	41091	47710	101174	46655	34714	35407	44946	29911	1	34750	59284	52803
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N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	263944	135363	234370	102118	471154	214934	241435	184368	98863	105506	268075	301798	479336	269086	78819	60318	81615	68105	73116	79196	56449	1	1	21983	1	1	36109	151105	64479	76267	133291	91835	136390	458499	339751	53498	1	1	94699	1	46856	42930	148775	45308	38705	58572	216236	61542	48084	82388	229481	57642	177206	71575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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2-Oxohept-3-enedioate	588957	485461	51248	56600	185329	240199	51046	50958	344519	66556	158198	178169	324749	349892	370507	380994	39466	275911	53271	359483	228204	224133	77646	83719	47829	53247	60265	54797	59834	46674	129178	131045	195306	201236	424499	411910	175637	170502	434011	439740	242305	245025	180924	187169	139405	153036	280617	291214	96697	100248	71347	87333	570848	558164	76234	84533	265256	307671	44864	46346	68704	66133	194033	187977	33259	39464	44954	42197	55057	49909	116849	107362	24604	23406	48847	51794	24528	24120	47246	48868	130661	133660	107995	112630	40083	42493	155843	149427	136133	147904	109507	116564	54874	45019	149864	153659	122196	110854	39055	43045	173811	174947	66736	74087	71207	65872	49083	45911	44812	46006	58560	55084	127851	91944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
491.818@0.8860106	109200	99769	101475	94694	103564	98826	105057	100750	124704	126057	111348	105998	105409	103362	55717	60075	115434	117434	102882	102482	92795	89470	64568	67714	119064	129320	87811	89206	78382	82147	130692	124787	176430	170635	148861	154611	156918	157122	96681	94812	146378	153267	91703	107901	54005	59711	87168	92799	111217	119053	48031	50008	92585	95981	187123	185349	185021	187972	140352	138235	91533	87810	92339	94012	119218	123276	133649	144092	97181	93070	63300	68075	89410	81652	154471	152747	140018	118362	66035	71322	27940	29967	69785	72139	85395	89353	53074	51331	41918	50880	61181	59244	34364	41552	61808	65738	81096	71957	123075	131672	87515	83139	103338	109539	117964	121626	162304	155879	75917	75575	129273	126427	144861	144399	90895	91804	113231	113453	143844	138849	131775	133982	111559	109060	117874	119261	95549	101801	70600	68891	110937	110831	71311	70626	76773	71825	118590	129794	94700	85924	133815	133085	96061	89149	141378	138772	99441	98009	142863	132430	132061	133846	115607	100427	49810	56442	101037	100208	132731	127300	76936	77012	80066	82165	51770	53249	71827	70316	59707	63332	100686	106509	63692	69301	89269	96994	60222	63666	73498	69726	86171	81471	77616	78414	67754	67219	83109	77495	90016	92983	54583	51686	116322	117281	68114	65298	82605	79999	66007	73908	69904	67178	65125	52913	74795	71433	51899	48747	52981	57115
C11 H12 N5 O S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41430	45490	43605	42048	147698	145106	23945	19739	19423	24948	1	11487	89107	98818	15310	16566	19082	24422	24444	17838	53471	57253	90133	87763	78614	88667	13119	14859	169816	179544	120364	131932	113422	102088	20277	28782	125461	125492	106662	108066	44284	38526	105121	105019	42711	49549	52480	45042	9613	1	42249	51316	37197	36144	61120	53542	31431	29045	43493	35187	40719	38021	40847	34740	37691	9905	51626	48652	47614	40578	53525	53499	40670	38057	63087	55864	41267	48153	43606	43480	52889	56687	70510	67432	44301	49336	23430	23152	41051	40267	8878	49578	44668	43587	17368	14402	62547	55141	10699	40217	124895	101040	63415	59558	11489	10570	8471	29104	29931	32049	11668	13477	30289	32389	36933	39143	34790	33535	18760	18500	29627	6763	13129	34118	24529	24920	49176	50071	79213	83549	32915	9624	46551	52668	62686	65242	29310	7888	53020	57628	31537	29424	39542	45190	25030	25190	35255	31456	64877	61731	41338	38388
245.9035@0.85694546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	259444	258582	200691	197313	183305	184041	250508	254049	251053	264589	218840	229386	156303	159348	172595	164084	254498	250088	251651	253592	213001	214925	132436	119174	170044	169878	196037	195155	103915	105123	111431	114920	125647	129274	103133	99758	135733	137863	159008	155831	219446	222485	166463	166590	203793	203923	213065	209125	259358	250572	181484	181772	224140	220326	231958	233980	120765	122334	115829	126320	91025	89094	121476	120873	124017	127822	133625	125160	124224	119811	124860	125595	125145	134224	132354	127836	129954	133619	129143	135536	126916	128952	124113	123406	128763	134649	131449	129840	120686	124087	131479	132598	124397	126274	123138	124481	91226	96075	133770	138563	91257	96610	140040	134514	133958	131020	65369	61722	69307	71913	65966	62636	76301	81482	70696	69034	72974	68261	90564	88659	73680	74851	58006	62737	72435	73992	52025	54428	68309	63238	65118	68895	55347	54768	67801	70223	74051	71084	62574	62600	72937	70705	44642	53903	84770	88948	67304	60671	42993	50222	71458	64091
L-Proline	35900	37084	44667	51551	29639	25914	37728	33985	41310	46230	28414	29035	29522	29228	36030	31098	32464	31307	31208	30533	21638	20862	42499	46220	40487	52717	34802	34478	55431	61832	19622	16737	26821	21983	26402	26873	10969	8667	19979	13779	13535	14199	21546	24409	23843	22939	31343	35066	12100	19316	1	6955	25477	24606	8219	8983	31835	33792	29674	27468	16979	16419	83095	75503	20474	22128	8841	1	8750	9597	34666	39194	32139	30372	55437	50332	15544	19598	67834	79198	64929	62459	35340	44100	17782	16426	151764	161281	92878	95583	64374	56359	23758	27960	139829	149161	91793	93752	89670	97095	176695	169799	35391	39350	115037	120766	32187	30147	29182	29375	47338	47632	120804	117744	15939	15028	18447	20111	33218	31553	52645	50096	16719	15301	8316	7882	25316	28365	13564	11352	20226	17965	10402	11657	23333	23761	20861	21879	49666	47096	10544	10941	42781	45218	15847	16525	13991	16557	22670	24056	13177	12621	28518	29256	16297	14537	20626	22034	20908	19043	10103	11396	23529	25195	70596	70678	95033	94850	77086	75468	67849	71343	247715	264993	98999	102181	129143	136852	65654	64384	117917	111245	44089	46386	197564	184294	336707	341870	94749	96363	198863	196498	328352	330709	65699	68787	260799	260027	72456	79411	139627	149216	82898	81617	166831	171071	212013	213013	243227	219929
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315.8735@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	148636	146818	132566	122413	149784	129892	159227	155222	159941	160570	116462	124706	120849	124631	86392	89868	136616	144282	165913	186474	149901	157002	109016	108100	132328	127520	110520	111185	84919	74867	84587	82443	104363	97576	78915	76222	94103	86010	100055	110406	124992	127379	120386	112653	110129	113259	127260	137582	135739	135865	106373	109176	128416	131628	145097	136010	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.1741@9.049002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27647	32758	25207	26959	1	1	1	1	1	1	63624	60272	1	11654	1	1	1	1	52361	51913	136664	157996	149581	168366	22021	17698	86520	81228	99428	92463	75458	69207	28204	28938	123542	142229	172053	188854	30349	30697	144868	151213	47477	47579	70320	75100	1	1	52900	57158	36447	35214	31155	56069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H2 O9 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36831	33475	43913	33582	93826	89532	30422	32354	34631	37467	29795	23285	112939	115158	51418	43865	31253	30951	28930	19590	24988	24179	64446	68577	60630	65570	30213	21187	147949	157313	131566	140732	135187	134610	99132	102708	156455	161902	114065	124039	42855	36318	102182	104617	54637	59574	51351	56037	23987	28753	48577	52800	45059	42076	79502	61146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H8 O15 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	79543	79753	86657	82749	59710	59303	100678	92146	95992	90884	92789	92147	44958	42089	136073	129049	139323	132393	102629	56864	42080	46974	33826	37548	48470	52837	81700	83200	38042	37959	48125	47393	52621	54855	46150	88200	65069	66117	77531	78798	144039	149933	90596	87934	118853	120707	118765	118134	154304	152545	119682	117929	128330	126438	174641	131201	132389	131814	136752	140845	122360	127784	131164	134804	141735	136306	140813	133159	128587	132452	127435	131933	138329	138240	129386	127970	129199	140590	136326	138762	142506	136365	135954	131697	141830	138944	144363	145206	138292	136501	142496	151266	139029	138051	144281	141631	124602	123874	153935	156173	130853	123997	139286	139912	143270	141591	153227	150449	160870	158140	151032	143627	186602	180717	134576	136549	166530	160071	169363	174859	177210	167949	164024	158041	175818	174521	148688	146198	126561	127484	165442	164036	138220	142172	139561	142534	167644	166752	131984	136137	163649	173807	151362	146660	196672	189452	145540	153120	133464	140513	141972	147188
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2-Dehydro-D-glucono-1,5-lactone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41133	29520	44537	45519	110340	105256	862026	864180	13622	15198	55983	59577	57275	75850	15820	11064	76919	75355	868401	844651	757492	798232	127532	127802	591729	600604	735692	721229	99616	169028	132330	165897	67843	79345	19383	43624	98734	122530	470767	487191	435165	427001	536180	527369	214433	214648	193648	181746	29419	31421	42535	40987	28686	36717	65854	75956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
345.8982@0.85001737	75858	73482	82460	66758	90945	87866	77943	73127	78353	68709	85821	87986	90079	80775	71924	64384	64810	76381	73717	78359	82999	83910	64574	54522	81531	78993	80880	82522	64466	56967	110756	109485	111843	109666	98240	102319	97118	105507	91568	98302	101717	109388	96890	101731	100003	103276	98978	98928	107981	121528	54205	52252	96237	95576	115377	116301	99983	101871	447171	439632	398248	393165	386219	376469	423372	429592	420321	441847	383903	390950	331443	324968	264402	248657	349449	344277	372561	394492	382517	415687	329823	321379	346301	358923	351502	346107	220448	189125	252142	264303	270697	251566	229533	214349	320575	298300	334008	336443	357891	362253	360672	311065	380511	361212	356636	368355	344889	335083	353300	367821	371998	367497	347120	357191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
475.8706@0.84273833	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	136663	129621	125123	119727	167472	158524	107667	108953	106613	110306	103050	101331	159541	163802	83986	88001	89799	89888	96492	73602	84883	92885	122413	125849	143030	141367	93482	87597	129925	134566	141332	143024	138481	140929	112678	104435	163114	160508	169758	167939	95906	105724	161812	168572	138640	139456	135278	125824	74212	78440	124142	131763	118629	114880	131781	132999	42476	41617	38206	43420	43346	44002	47903	44877	29913	33442	48064	46476	40934	39154	52953	50794	45384	41285	51735	54243	52969	47469	50703	47905	47617	46177	48121	55124	47002	45415	37771	35514	38225	41277	32379	33072	43025	45065	37966	35704	52915	48192	29449	26088	61321	54920	47387	50101	29413	32824	37450	33283	32534	34246	41529	38256	21963	26022	63939	63002	33105	36039	39099	36875	39529	35402	35519	39710	28631	27840	51201	49763	80483	83141	36833	37362	57214	55954	69577	65775	30884	33327	61796	61684	33266	33836	46503	47524	25841	22618	48936	48164	56761	58130	53532	56271
427.0291@1.1759999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24256	23488	22205	20872	47931	48418	1	1	15872	16474	1	1	187162	196370	1	1	1	1	1	1	24851	23703	70299	66187	31134	28719	14063	16767	73737	80302	43745	43258	130474	129541	1	1	100259	99682	44152	49565	1	13197	26498	27642	25075	26336	31282	32099	1	1	1	1	1	1	1	20215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Bis(2-hydroxyethyl)dithiocarbamic acid	42201	41578	33767	39391	19328	16283	40418	41715	39762	43018	19477	21205	37797	36200	36055	32404	45052	38010	38753	33297	13904	16563	51437	54136	22738	25393	25211	26228	37455	38049	1	1	11157	10326	1	1	1	1	1	1	9124	8997	1	1	8845	7256	1	1	1	1	1	1	7374	8613	1	1	15069	16362	28205	28282	36156	38531	43934	41734	23419	24265	13753	13808	17465	15993	103162	106192	16018	15046	33280	34170	37003	36985	62235	63851	126371	131710	91021	91597	25690	23913	137648	139451	96098	102945	90223	86164	13562	27248	127694	122972	109818	112471	36716	38120	105027	101592	57558	57557	59235	59380	21222	21610	60076	59263	52463	50112	61557	73612	19531	21788	39705	42413	27140	28782	47855	46964	9641	9901	28253	30977	30314	31309	40422	40820	31140	31366	38268	39766	17490	17880	16897	18716	34225	35131	48417	45550	33161	28516	16404	18154	30792	29165	16303	16234	47381	51252	14634	15856	33765	32846	24877	23526	48753	47267	47158	48827	18024	18206	1	1	1	1	8480	8478	1	6667	13671	11322	1	1	10723	8761	1	1	1	1	1	1	9290	11620	22101	23705	1	1	1	6576	10440	11887	1	1	14250	14992	1	1	8104	7125	1	1	1	1	1	1	10042	8863
199.9413@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	201716	199387	196733	196289	148328	129225	234082	230169	231066	233550	189719	192716	95919	99347	156658	146664	210458	207792	243799	222025	168951	183509	90755	92146	123638	120812	174325	172074	85915	84900	92430	92216	94831	96243	121621	121588	119575	116620	127434	128070	217217	202484	142776	138695	177376	189310	189594	182858	207125	207431	175176	170017	205479	204074	216429	217000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
58.9827@4.884999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44880	41410	44517	41502	38199	36063	41305	40616	41241	44655	46106	49258	30626	42069	38159	29960	23020	32540	26879	34884	27268	22904	33709	26052	30152	31270	32503	31383	34204	48044	33572	35177	33248	32180	27613	36046	36272	45813	32306	45210	34299	66900	32922	36527	38039	44429	33560	44314	45182	33256	43276	28868	33748	30253	247988	42802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 1.1702977	1	39384	45501	1	1	1	1	43285	46496	1	1	1	1	1	306643	1	115659	1	1	56380	1	1	108255	60436	45954	47401	48048	45544	84788	77546	29007	1	17261	9229	1	79305	1	40282	36884	25713	181185	79820	26389	1	27613	1	30402	1	5796	1	18906	27629	50689	47985	10881	1	54874	54447	1	66421	1	54859	1	23792	1	1	1	1	1	1	1	1	26614	40608	62109	58163	55137	112055	64650	64823	66616	63274	66122	76086	53524	73605	48574	1	554174	64879	89181	86737	34185	97403	60487	122671	136927	52157	59261	53150	57752	56051	66414	63583	59068	48699	63376	51551	369850	33966	50574	64412	58692	51190	1	1	49640	54000	1	1	35780	36127	185200	1	63065	51326	55257	42840	50632	51220	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20854	1	1	1	1	1	58704	1	1	1	1	1	1	24731	42982	1	1	1	1	7075	1	1	1	57826	1	29223	27756	34349	7069	1	1	29822	24424	36661	22520	1	1	31759	34317	1	1	16651	43435	1	1	47728	52584	32038	22339	43227	32574
201.0304@0.9360168	277893	273462	232965	252918	233777	230208	228035	216807	314649	309226	260141	260348	276652	271127	153271	155593	383893	342791	253980	232146	232786	242647	138043	159512	233057	251884	219266	215388	182465	197226	299500	300008	345839	337435	328671	334434	332786	327524	265953	270209	328477	325745	232641	232136	161530	170751	205875	203925	269795	274761	186742	186264	254041	248331	360874	372109	365245	369959	129118	128446	97639	92624	114052	117061	111654	117335	126099	120379	82767	82954	121668	120916	75057	69497	148362	138398	141881	137818	95128	95999	36699	33981	90487	88028	77809	82686	80108	80863	79772	88247	102253	106033	34543	45715	96899	99928	119969	117452	111148	110487	103059	104419	93782	93402	108993	110186	115740	115673	80959	80067	108304	106863	164811	145631	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.0683@12.527529	9111	13222	8005	7545	9292	6332	6225	6477	7511	8223	5468	7356	16091	12447	12364	14503	14555	13913	14618	10970	15340	14684	9443	10827	16791	17435	12756	10210	5716	8702	6093	8527	10472	11571	11997	12434	9806	9503	13452	14306	8960	15607	8988	11667	10231	5819	20164	12350	11735	12397	7003	1	27864	15936	12020	11008	12073	10874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24654	17785	7721	1	1	1	1	1	1	1	1	1	1	1	11982	6189	8681	7049	7027	7065	9762	6288	1	1	19515	6366	1	5864	7238	7073	1	1	948866	1	6818	9569	1	1	8748	9567	7116	6746	9985	7923	7868	8937	9496	11532	13668	14243	10052	10331	8460	13867	9461	10499	8481	10635	9935	9202	19010	17293	12986	8937	11550	7707	11347	13863	7923	5832	9391	13842	9760	5587	18467	13560	9822	10847	14909	11821	12468	12947	12881	6786	9643	10449	11562	9788	7181	6430	6961	7130	11172	6638	23535	29586	10507	8370	8455	9341	10145	9042	9958	6319	9587	7221	8501	8606	7238	1	8037	7025	7084	7405	1	6163	8011	6413	1	5931	21287	7688	7060	6116	7199	7940	12666	21114	7512	8614
421.1913@7.1260033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11992	12547	8886	10832	11839	12222	8113	7820	8948	9080	1	1	14044	16652	1	1	1	1	1	1	11099	10662	1	1	1	9627	1	1	14501	13372	12283	13007	1	7773	1	1	9795	11027	15953	16203	1	1	8125	10579	1	1	6998	8781	1	1	10062	1	11759	11725	26739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
305.9747@7.8655963	11488	10934	10264	10081	9441	8805	7890	9278	10915	1	8837	1	10215	10002	8868	9394	8969	11913	8652	7034	9989	8674	10029	11180	11073	9674	10292	10013	10066	9154	12111	10363	11178	12561	10284	9559	12001	10092	10176	11291	9578	12057	10362	9894	12522	11002	11414	10785	12763	10419	12399	11514	11594	12333	11215	11187	12491	12615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8959	1	1	8472	7880	7871	9294	16975	16862	18720	22995	17706	20350	18018	19846	17499	18696	18143	23865	22411	19213	18014	22320	20382	19246	19254	274594	23433	14270	15137	12606	13312	14982	16418	15771	14685	14415	13800	14001	15025	15071	16146	16068	13853	14445	18161	15614	16915	17738	16177	14735	15839	14673	14254	15292	16442	17210	16737	16920	13213	15185	13956	12051	15639	15880	16269	12955	13857	15624	17150	14972	15893	19056	17638	19303	13482	12419	13801	12620	14906	14228	13200	17312	17738	17011	14741	17028	13520	15797	17294	15551	16165	12631	14306	11865	13528	12100	12351	13277	11738	15670	15748	13016	12225	12866	14869	11340	12293	12669	12758	14170	12546	10913	10012	15178	11853	12384	14882	11383	12229	14880	12922	11407	13696
492.9396@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36875	41615	42798	43516	137489	137595	26397	27180	25535	25364	13568	14020	147631	146528	18693	19320	15931	17917	24730	22099	38346	40065	131605	127524	106654	106553	13950	11244	155942	148443	137839	142842	131596	132303	42359	51782	150520	154471	125199	123294	25187	26006	102948	104525	50526	48628	45050	43736	1	1	43755	45769	35049	36931	50707	53307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.3216@0.9809998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19538	19276	23473	25831	74934	68257	17654	15570	17377	18626	12123	12383	133622	135647	6436	6428	10692	9950	16007	16301	33526	34065	106643	103468	78887	87870	16917	15209	160477	159264	126874	121500	118634	120860	7450	12671	128123	122481	106609	107446	15239	14723	78148	78235	34229	33636	35705	33439	6839	6994	27290	29705	26051	26291	54395	42003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
205.0211@0.9379998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2201375	2197792	1985344	1993286	2380452	2368350	2250933	2203222	2256495	2248309	1949022	1910389	2384998	2410024	1755390	1629098	2254732	2128212	2154789	2192287	1980810	2016297	1257979	1205301	1939383	2038455	1880619	1871779	1936482	1915734	1850029	1886565	2086784	2088626	1375139	1519618	2350182	2326150	2421044	2478384	2178583	2225437	2244556	2268274	2094559	2152764	2273005	2246352	2246065	2209415	1713164	1741809	2160330	2111413	2658265	2569831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
245.0366@0.84500027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	113316	105284	104769	107720	172431	178352	62527	64003	95373	97140	183677	176863	230985	225900	98455	100876	110149	113764	72702	75067	76671	80887	192914	205198	190514	210237	193316	195404	236131	236055	231478	241658	295464	300512	139352	159775	301906	297571	304524	313716	86113	90337	251279	249133	109068	118050	144101	146669	180455	179410	148058	149143	137762	130043	159766	155487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
639.831@0.8485803	23499	23433	23206	24613	21092	20794	26958	23521	26549	25650	19854	21128	20134	21106	19339	23209	22317	23135	21442	22296	19765	18147	27366	27810	22189	21617	22543	20599	27205	25664	37221	36917	39252	36734	39655	37888	36512	38689	34334	36129	36514	38369	36954	38543	32341	34883	31799	32644	38218	37630	26761	25059	33948	32785	42555	43762	34712	37601	131062	121515	121718	132960	77651	71138	156507	154580	151606	156287	144433	147736	57016	56277	106048	108861	156936	158048	144254	118668	81707	89471	48729	55385	76552	69499	138046	124380	65670	57945	68573	60656	62692	70684	74142	76894	75984	72871	83050	84187	140004	139748	93262	88665	114830	121109	114187	116379	154799	151780	121502	122754	127022	126339	117198	125091	36693	34061	38013	33393	32320	28845	35475	34117	38639	38593	35696	35187	36649	32937	33353	32521	33281	37962	33918	31968	32994	34461	40008	38697	31933	32682	39386	34720	33323	32205	41684	38297	36989	34696	45650	39191	40260	37773	39610	37299	23523	25691	36065	41075	26088	28191	33709	36909	35858	37770	21873	22074	23271	26344	22445	23474	35415	38298	18958	22692	25748	25352	32651	32631	25215	26540	24098	23214	26510	27205	23515	21968	22666	19996	23013	24253	22366	23190	24281	21723	25782	25546	18112	17532	26863	27576	24881	22820	40408	38847	23187	22075	21293	22882	22601	20468
286.1432@5.949998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6507	1	1	1	43359	36302	1	1	21658	22073	7231	8022	32273	30743	14354	15853	1	1	1	1	1	1	41253	41244	19488	19559	1	1	144237	145118	42722	44504	47466	43665	8408	9517	85035	80666	16961	13515	1	1	23822	27585	1	1	11178	11080	15557	15503	33233	34965	26270	28427	46795	38254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
233.9517@0.8445098	138182	134113	138025	142886	123019	127330	134600	139819	130843	127261	118760	111536	134756	127485	121251	123852	143244	129931	134384	125655	123516	106975	134725	126561	117329	120850	126583	130657	140360	142280	89882	99236	99725	92520	75684	86591	84454	89107	80947	88869	84805	99006	91325	98783	104491	107311	104585	96797	115091	115632	56102	58375	95611	93464	90976	91912	98832	89621	151729	164072	129694	135186	138565	143616	138326	128865	148280	132187	139181	124220	180065	184757	93386	100468	118673	109466	115419	142409	170028	163142	157141	146112	162509	152947	119861	117735	129991	137368	125039	127793	130258	131993	80822	91100	134740	145328	132873	139253	121422	113178	129452	132826	124130	110522	124745	117992	115645	99385	122733	126432	121158	115213	123517	121251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tephcalostan C	28376	27721	43959	40027	28076	28013	33378	34780	50021	55525	35720	38420	35184	34190	45258	47337	36338	32086	44333	42794	19229	21857	29673	31935	39901	40013	40875	43157	54524	54606	106475	102552	183038	187426	266164	251766	97105	94908	564617	552482	94265	98065	114763	116090	153260	157782	242493	248848	73560	72036	21960	23003	449087	446825	45348	45059	303822	290423	64885	61496	44448	44208	18382	20141	26833	26735	20053	22344	1	1	22492	20610	39658	38939	54889	57968	37673	33291	51236	62365	16290	18291	24918	27454	11986	11233	41371	38019	50831	51006	19891	22147	17413	20799	24651	23827	41901	41617	84689	83459	68084	69788	41435	40435	49435	49171	1	1	144138	141489	71354	75075	64865	46499	26311	26452	14117	10786	29885	40325	20509	20586	21566	24337	21119	20067	10992	13291	32137	33098	21051	21684	29794	25992	35176	33619	31408	31942	20069	30033	19555	17861	37582	36960	25265	27013	13902	16325	31214	28781	28456	26310	29641	26950	41518	41793	17344	20023	36773	33693	29297	20782	41478	43068	22876	20466	22825	17217	17395	17906	14091	12153	339499	332184	24521	25460	32641	31897	20239	20486	32118	29411	11597	12845	26074	25348	37782	39843	26241	25614	24504	25069	33726	31091	15816	20134	31956	31649	12692	15522	36339	36441	35058	33660	19642	23155	24786	23710	83885	81926
<none> nullnullnull 0.8628185	73709	77839	80450	81465	83685	84508	73123	70942	81539	78498	84750	80478	81644	84106	73175	68860	78043	76387	77929	78785	82348	75164	65268	63755	74472	80516	75314	76102	67140	72763	91012	100188	100769	98715	101130	102511	100375	93542	95022	96624	101282	99314	96159	88449	83405	90091	84863	96003	90266	91418	56965	58054	92744	91960	98452	101318	93460	105075	100903	102642	109203	110948	69193	71915	133457	127792	133604	134274	125720	122694	48408	51207	67994	68825	120540	111338	131731	157434	132275	129210	63430	53828	73745	68897	114710	109851	29317	31157	36235	37809	41927	42381	55607	47562	41703	41390	51095	52861	102413	105555	61930	64423	87106	94751	92275	98279	126335	123207	88227	91301	103329	104127	99560	103198	96018	93775	108547	110782	77925	71513	106293	102123	105805	105468	104408	102592	104833	100336	101372	96645	104284	108145	102468	103839	99510	108287	115273	113521	104973	106640	114104	113213	105989	108762	125187	118953	103562	104487	125734	125151	119362	121060	115298	113812	67806	74370	114818	117921	82076	81486	106033	112316	123135	120057	50577	53690	60101	59739	51658	53933	84840	86050	52793	52127	59575	61540	89604	91624	64474	67350	59237	60131	65593	62867	57226	56779	56187	53327	65618	64651	59730	57507	57537	59331	61649	63785	54840	52878	64908	63731	60342	61482	100502	99406	56757	58733	57832	54968	57355	57081
549.865@0.84235436	174467	170666	177500	190382	221202	218580	172785	158306	188762	176046	209661	207548	209975	217114	184174	175540	190267	181849	178719	182370	203284	207665	145818	160734	202567	213324	204365	203217	175125	163975	233687	228358	225953	220274	210512	215600	217904	223585	230641	216821	225506	222388	220135	219000	241313	252174	231461	242058	248625	256405	134839	136869	248076	243608	249706	253986	237136	239955	133523	124801	119707	117514	87941	81395	142158	129815	133079	136189	128852	111861	61088	55565	97711	100180	133870	141347	120491	98853	75075	84227	57447	59248	75713	88922	120024	116443	50896	48958	62113	58713	66397	62482	69621	70535	69195	68694	87180	81116	145022	148998	99837	93274	132166	136939	126941	128873	150401	147651	132785	127372	141905	136235	129834	135803	164345	163027	162539	162004	107609	112004	159674	154159	165674	170298	152405	154191	153432	154361	153967	155595	162491	154904	158344	157596	167378	160555	165949	163950	155577	157168	153623	158461	164821	162585	168189	166657	152617	157447	162668	160205	154950	148102	160477	162287	101926	99819	171036	167144	93734	98875	155395	158419	158415	169266	75234	77477	81415	82089	76835	76859	111837	112163	72951	73248	79267	78044	112453	121011	92639	92559	74305	71862	95069	96963	57774	57707	63656	66678	84309	78219	56480	56144	67476	67758	87655	91151	68991	65325	90054	87883	62701	57914	120761	117319	66648	69907	52140	53839	70919	71623
605.4686@13.699253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21790	29286	28056	33283	28571	24780	23551	21072	18456	14759	14225	12576	14134	12569	16464	25862	20813	14877	14647	14071	13164	10002	9956	8055	8784	1	10986	12264	12297	9876	12263	10963	11840	11457	8016	173054	1	13162	9636	10228	9373	10373	10999	9902	10167	9225	9439	10091	10290	11061	10655	12155	10721	9037	10875	11856	10571	11171	12029	9262	11955	11251	8809	9833	9383	9578	10648	12099	11968	11168	12301	12604	8296	9733	10629	9525	11015	11688	9695	10005	10762	12223	12955	9104	11904	11385	12535	15140	16795	13650	15463	14666	12499	13627	13585	13465	12630	15184	15257	13673	14568	16084	9818	9899	10002	8733	9468	8954	10538	9254	7761	8946	10049	9848	9224	9253	9428	10219	9558	9291	10003	9645	8542	11396	10469	8962	11443	9672	6952	11885	12524	10127	9551
Benzyl 2-methyl-3-oxobutanoate nullnullnull 7.213997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7895	17236	14638	89305	35004	38547	42662	9674	15581	27994	15714	9440	17523	45739	18779	16994	9534	13577	13655	16272	31039	22257	77771	78980	43051	51312	27944	14437	20731	27051	39942	52411	28417	42097	21719	14464	34022	28766	40040	44243	21316	20461	46714	39966	14565	10035	32655	23983	11008	15105	33990	42673	59879	42916	206577	35639	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H N2 O8 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30261	31006	29225	29231	74809	77803	24145	17354	20288	21676	15115	23259	134974	140229	20527	22865	15435	14520	15977	13628	26372	27749	89868	89914	67462	69090	13132	15129	156887	161989	125354	119713	120262	121728	39029	45769	132664	132358	94783	100089	25625	20152	76721	82886	41267	40513	39362	40391	8279	7210	33689	35158	35412	29585	50320	40934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
355.8651@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80240	72084	51268	50718	116716	108459	57392	72275	70370	75630	58898	42166	157700	144887	40324	30075	66319	61447	91664	100794	59841	74971	98204	94069	91176	99862	59426	55483	158084	150910	120332	117691	122477	118281	53876	51817	121926	113919	98096	99970	63648	68034	84545	84364	66341	64509	74604	70577	80122	63834	55618	64734	62792	78837	72230	90995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H30 N2 O19	13195	13654	16695	19997	12230	11076	22577	22393	17059	20704	12484	12735	14284	14546	19253	22046	16063	17394	21158	22094	9140	9327	26283	23987	17022	16146	17949	15226	22265	23560	93471	95777	217354	218769	268358	252912	106379	107408	631872	614402	85588	92087	164464	160492	115295	114810	283712	291570	45244	45702	28514	33782	687836	683426	47530	49229	456582	460799	47683	45671	33786	34593	61201	59551	17788	19207	26573	28738	13392	14173	38039	42265	25088	22426	37961	36862	25869	24688	35901	37821	26478	26697	60273	60145	22542	21637	137975	135836	107197	110303	34666	36518	10742	16526	63799	68627	73770	72864	62202	65588	110913	107405	30420	32247	39132	38959	16841	16343	94050	99789	73342	70807	70874	51911	15333	16674	19895	18888	9772	10499	18304	19431	20285	23748	21479	20565	27141	27320	40297	37989	16747	16525	21925	21679	14685	16287	16588	16414	29226	31585	12862	14796	26762	28099	16936	16202	17548	15895	34960	35138	43542	40879	41609	42257	18509	17712	31352	27976	18828	20579	26601	25057	38009	41409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H3 N2 O15	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14294	11835	12882	13869	60089	56879	1	1	8196	1	13011	14202	113676	110645	12766	12626	12082	9171	1	1	1	1	67227	62955	43578	49554	11800	11825	167995	159477	103171	103783	107954	111111	29120	32926	127031	122968	41122	85436	9829	10880	64178	62211	18000	17479	23404	18279	11406	11576	20359	21449	13859	14697	22464	20739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
396.9867@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23729	22152	22273	24839	98112	60616	12567	10605	19307	19163	27564	27546	123926	117369	25158	23146	20237	19557	16399	1	12652	15030	71302	80884	66040	80870	30037	30947	153431	152451	131992	144752	170889	170497	49002	68445	177706	184940	162901	157351	19510	21552	118820	114066	33944	35535	39554	43515	23492	25829	40301	39758	31147	31972	49758	40972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Monapterin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45352	42841	101438	1	185463	184780	55161	57481	1	1	151974	154146	682887	688665	1	1	98479	101454	20581	21904	111209	123224	613027	631851	253972	221400	1	139793	239939	241599	136123	135888	330256	332141	1	104008	384817	370885	257140	254611	49966	52572	124952	123315	126158	130751	123070	123155	83919	88258	69541	66314	44652	48129	172863	169362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Pyrroline hydroxycarboxylic acid	374830	382181	495103	496410	304942	294765	521142	518162	422223	445511	319278	324157	398728	411354	479418	466942	389814	375970	374838	374436	266271	257597	648018	676233	389820	392485	364791	374716	540074	553665	19356	19539	42318	39483	13011	14887	55209	52429	88490	83771	29293	29195	12367	13220	30046	26702	54280	59186	7525	1	26664	28012	90396	84958	1	1	38997	39289	41982	42908	42134	40802	104695	102312	30375	27644	35807	33894	30310	26178	83318	84351	31969	31506	34493	37274	23320	22476	46851	51292	80602	81830	68186	64966	35921	33935	167159	165037	121578	128477	95921	99823	29689	34012	104622	105896	85102	85330	46051	46832	99493	92307	49329	49107	57671	60103	26354	25900	59972	57226	43807	40852	91513	64902	90696	85130	115114	114771	64128	64835	92879	92123	48892	50416	120797	119787	97383	98280	155571	148911	109371	104869	167933	170967	125676	128820	103385	103765	138177	144763	137328	143732	147242	145688	66854	70568	123158	133508	45434	52376	121018	115272	69662	72355	121975	123890	61973	59723	159718	156563	168513	163887	66983	73568	49432	93231	88681	46189	55774	51929	23702	64613	113531	121210	137499	47915	72360	88183	40853	59424	58545	51631	38288	40663	326314	314264	162537	167583	45435	51112	415257	407364	172761	162517	98922	44781	146413	87563	55282	54514	307012	311665	41372	69383	260447	266846	435979	453834	164752	161967
C21 H21 N8 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7552	8275	11091	8408	9805	9011	8315	10213	11439	10029	1	10206	8948	1	8720	1	1	1	1	9590	8460	12387	10741	10296	12706	9931	9557	10980	11373	12552	10745	10894	10399	7975	10898	11147	11229	11674	11785	130256	13116	16552	15151	15543	17514	16394	17161	16063	18181	12329	13448	16136	14489	17843	15073	15751	20296	14743	13963	14425	15753	15319	16681	15667	14563	15224	16474	16072	14445	14380	14071	15123	13425	14208	13289	12371	11885	13979	14217	15953	15717	13576	17006	13530	13598	14285	16497	16656	13745	14133	14790	12436	11849	14277	14727	35390	32571	31979	27627	14048	14088	17372	18335	25028	22175	15527	13496	17338	19057	11324	11823	49686	35280	13182	14407	18143	15949	32131	31184	15659	12477	12796	13816	14232	12729	14900	14503	18570	22234	9954	13531	22588	24118	24856	27392	16425	17416
407.9117@0.8800001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34012	34537	40123	35956	48694	49198	27272	32481	38129	35263	34583	33349	71433	66713	35592	29132	39641	40641	28796	19292	28397	24448	50226	55196	41686	49890	33281	38228	61525	63161	50748	53561	60068	58797	26226	25852	48464	54304	49441	57910	38371	36030	51324	47276	41305	69283	42584	39181	43669	41053	45104	40331	64235	36991	55140	87137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Demeton-S-methyl	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	150007	152075	113568	111180	169275	151468	134661	138332	123791	122794	117032	112225	136237	135283	154267	140154	147246	145403	160314	158691	124448	140817	101578	93383	152518	163643	123562	112882	154253	153933	156372	158860	139293	132382	148698	146926	185956	171811	204746	214123	169238	174037	211655	209153	174645	182851	177647	174560	172410	182707	169466	176430	200278	188030	204312	196637	126698	120817	47764	50397	91920	93617	106019	103800	71033	71595	94892	102150	55648	58548	164540	155662	107612	108195	145621	143334	128890	127074	107480	108805	136396	136646	94048	93413	147912	150947	71370	76178	57987	63613	57116	52865	99012	106093	85984	82828	262033	265102	75261	72582	122958	117342	143356	138432	77525	79594	30990	32082	38577	41620	73052	77033	49248	52558	86306	94528	49554	46860	105528	108071	50790	43683	62423	61079	43438	42693	72026	72453	117386	116234	63725	62078	82652	86347	89279	88420	55605	59538	113893	113685	42981	44622	73542	71230	77696	80703	76244	76216	79305	83340	108856	109419
956.9781@3.4579883	1	1	52155	1	1	1	48809	1	1	1	1	1	1	1	1	1	38257	1	1	9546	35905	1	1	95621	17394	1	1	1	17081	1	1	1	1	1	103993	1	1	13260	22337	1	1	1	1	1	1	1	1	30363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38417	1	28828	1	1	1	1	20760	1	22066	65558	1	1	46884	1	103050	1	1	1	1	1	1	1	1	1	1	1	1	130655	34257	119703	1	46788	1	1	1	1	1	14811	1	49141	127361	1	1	67255	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.9856@0.7890657	42438	39686	32469	40597	29574	30599	27392	24338	38013	41831	33331	32771	43808	31583	21554	15663	61090	38063	27482	23432	30071	36102	10588	13763	32361	30508	24647	20951	16474	12954	80721	81482	79366	77943	83042	82457	85945	86240	66794	63087	83918	87346	87665	87054	33634	33638	58826	60563	105601	105608	110059	104676	79836	77199	112144	108311	112999	111776	90183	92064	67210	71317	85478	73076	73344	74811	85129	85529	65443	62884	80627	79150	78292	72709	100035	107694	89292	61874	41158	46289	16001	11063	65154	68578	74861	76708	85486	82495	56752	73039	89377	91314	32041	66509	107539	103166	86962	91352	114590	112264	103877	103201	99837	105573	125371	117981	119240	121022	91245	88555	111447	108020	123261	126859	34324	30190	34593	36414	35065	38941	41934	40750	37763	39019	11719	35221	33140	35082	27531	27034	33753	35710	27101	31526	31299	29727	37842	35996	35630	34473	33921	38848	30947	32334	39301	35103	34235	30918	36791	37548	37493	35251	37099	35982	13989	10379	35188	37596	34973	35614	25183	30701	30118	30454	11038	12055	12357	12626	12585	13636	17718	20954	15312	15967	16927	18924	17356	12229	15251	14524	14603	14114	14004	13811	12757	12114	20137	17513	16243	16238	8836	8568	26308	26375	12273	11447	17781	15123	12663	13182	20232	17338	23505	20568	12797	14556	9458	10008	12023	10384
C8 H9 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	326415	310691	355431	348526	366493	345932	330445	333671	366891	367979	337788	359557	362592	367009	266052	246030	341920	344787	344799	329393	354279	362821	372558	350094	371156	357288	331451	330511	318275	313996	314779	317363	379283	376590	214001	286893	458993	461687	427534	412060	358352	371915	412209	415891	417062	422299	430398	425083	348221	353584	396942	404798	407526	399673	622903	487493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H8 Cl O S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25901	30327	27369	28068	58316	62028	17526	15208	17241	18506	11400	12963	84025	84281	14613	14919	13362	12791	19320	15188	26362	25437	61472	70082	60225	57408	11600	11443	87233	84359	73952	76812	74953	80825	31053	30447	90531	86528	73534	74574	18566	17488	62234	61621	33555	34917	31128	31920	8426	7310	32842	30133	25142	27936	41473	35914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-Hydroxy-2-butynal	107765	113805	103743	104569	89401	91075	115770	117921	112951	106268	79233	84022	103663	101154	110524	116803	55759	93555	105011	103173	79887	80193	152453	158224	87945	94453	105703	105505	121990	122544	65988	86002	132328	133032	101999	101449	71218	82079	156869	165899	89688	96768	100248	105198	107358	104552	128646	127600	56492	60067	38020	43636	115476	113369	53444	50390	151202	115413	65831	59545	78001	81092	89108	75546	56666	55562	63885	66561	70648	66154	105621	109440	41069	41327	66260	49968	52983	53283	49526	56053	57639	65900	66547	65191	53945	53475	89422	84270	92259	95633	61168	74781	48393	59123	86937	84960	79112	71919	51562	51095	85579	85285	71357	55976	56293	63138	68014	67126	56601	56455	54903	54458	74358	75157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
423.8606@0.8559315	65319	61379	63222	65058	56754	54545	69370	62682	66112	62615	59209	54892	61649	62961	49377	47328	70009	66752	62757	59233	52521	51774	60030	61412	58926	62551	54797	55520	62360	58974	67106	67620	79831	79377	71966	77685	70698	74553	64695	62196	69689	74714	64413	62556	53139	52295	54913	59085	65037	65478	36024	35529	64028	62060	79624	85138	74866	77411	58041	62005	61906	57954	112347	100439	54365	59814	65501	62709	52479	52194	160059	151566	38015	36688	53524	50486	54229	70244	63187	60820	92574	92719	86222	80953	48210	50096	153366	149548	120009	123300	117500	121752	52779	49679	128114	130938	91909	105251	46117	43541	81188	85245	54072	50810	52027	59748	46630	48949	52262	53041	49110	43368	58801	59311	52339	51246	56369	59014	45188	44615	59037	58818	59653	61426	58228	55526	55789	58230	51629	51827	57740	56635	54843	54732	52147	53388	63553	57401	53129	54801	62987	60092	55925	52177	72237	64198	57837	57814	66723	64932	62122	56601	57657	61935	38292	35521	57634	62535	41288	42728	54360	53891	61127	58817	27556	27933	31287	31350	26821	27254	47567	49359	31479	28569	32404	32376	44842	43944	35247	34242	30536	30169	30467	34680	30995	33060	30111	33347	33001	33104	29409	28045	34270	35158	34782	32308	32831	30789	33220	34314	30056	30682	49680	53229	33421	29482	28298	29438	28984	31248
367.8833@0.8591126	79309	88853	73095	81161	81079	87460	79304	70106	93353	90279	94630	100466	84162	81885	64238	71599	84247	75514	76834	78499	91425	85311	66224	63530	85908	90329	74474	73464	67452	62404	139965	149732	139016	138905	142763	152284	153829	148926	127573	119205	142263	151451	141080	136657	111231	113182	119934	126721	146519	136488	93233	93593	132297	128308	159806	156696	143140	149427	123705	129262	114984	124239	78820	98510	152876	149251	149429	141917	122772	121603	68281	75434	91677	89585	148892	134562	139254	168518	117010	124215	66699	58010	80587	75403	116247	116647	46672	61560	58859	60140	62251	64566	56239	58964	57987	68894	77585	77926	123087	128534	84616	72242	91643	93014	99790	100681	141792	134312	95687	103499	118217	111836	118449	115096	99167	97673	114380	112578	97959	90961	106618	110341	119535	122358	107808	102472	107501	102122	94621	99066	113795	113975	93963	98101	94251	99254	113071	114285	98510	98268	112044	112455	104552	105705	126537	127944	111246	108730	126882	134883	115806	121200	115393	115004	71530	69186	117657	121170	88104	82984	94936	95018	109454	112708	55486	53542	77413	82416	76378	76172	120188	116513	61850	62571	94403	89167	88995	88812	84672	84916	83570	85558	93397	95083	71173	71547	60608	61572	100449	94810	71277	67201	72561	75065	86649	88287	67662	67964	92165	86865	77759	79363	112616	105162	78504	74046	64482	59089	63958	64414
389.9284@0.86745906	87386	80360	74661	80556	70318	73252	77820	79076	74422	87631	74409	67284	85081	81725	63267	71734	77439	73378	80991	76327	65341	64617	75520	82684	74282	73619	75463	77176	75935	77394	56809	52348	57235	57122	52012	50450	50438	50869	60215	59476	63044	63868	52572	51724	56261	55176	59844	59957	41252	45133	38731	33467	67966	66232	38539	44805	83468	85998	123700	132343	131614	142908	118482	115331	131957	125901	117242	120022	81498	85767	89186	89334	89715	82877	97710	101895	127879	112738	119503	121450	103717	105849	120612	120627	78536	79614	75655	74519	90327	91009	77387	91295	84780	85161	104051	102762	118562	115834	120819	123759	120042	122412	142813	141562	134137	137411	81486	78799	128883	132584	143361	137098	158498	155081	57934	59646	59114	57772	64008	63586	69068	68521	40667	41313	64946	67666	65950	64164	71119	67180	59991	64033	72208	71850	67471	68420	69838	67172	68582	65560	71992	72275	66074	68008	58398	59734	56472	56041	48356	50793	67539	67654	54196	56246	64345	66824	47077	46003	84427	86093	72791	71545	50248	48596	23308	22251	25305	23121	24689	25169	29048	30075	39345	39125	26677	24794	39544	41945	23221	23175	29537	28724	23065	22922	42426	43252	54843	54370	28298	28014	41177	39414	50795	50688	25448	27212	46914	42224	25211	25569	41024	43138	39458	35413	39882	40180	45991	47766	42414	42333
417.8173@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	88856	88911	89344	95215	101200	94227	112934	106579	112361	104181	92155	83137	91610	96165	58768	59289	110898	110602	107460	97107	87792	89471	79810	85565	84740	82046	85247	81651	85030	80871	73070	78246	87554	83718	62477	60462	96253	84170	90702	87364	98378	97667	86313	87070	92529	86750	97458	99033	110528	111692	76566	81152	104279	103844	114977	105244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
482.068@1.1800002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37647	40401	1	1	1	1	1	1	85473	84707	1	1	1	1	1	1	1	1	51856	44935	9250	11570	1	1	136063	143696	89623	85369	91874	84753	1	1	94703	94049	20610	18873	1	1	32872	36533	7500	7804	10483	11149	1	1	1	1	1	1	1	10526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
595.8694@0.8424754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	101213	100146	104214	108629	69605	66966	116890	112821	111480	111111	105055	109707	38582	39682	106988	101554	127073	132366	118631	80575	65738	75393	36664	42131	57960	65177	99791	100249	29939	27510	37801	42309	48520	49592	77180	77660	56022	52349	69368	68196	127411	133625	79691	81365	112520	116687	123937	122257	126697	130675	112710	120532	120402	125613	130001	119162	108689	105258	103331	101014	96301	93486	106551	102570	103086	101623	103707	98508	105529	105242	104359	108791	105064	107879	105376	110882	112685	105260	109380	111465	112666	111067	102189	103406	106939	109166	109173	106835	103433	110374	104134	108736	111449	108987	105003	109144	92302	88797	108968	107809	101752	99812	108770	102950	103826	111332	81369	84765	85131	81085	84481	88592	85249	87612	102449	105152	84233	85883	108497	109469	100660	96119	97668	87890	82010	84136	106053	104802	107706	104320	95980	94363	102952	105084	113422	113467	90758	91085	108456	102913	93109	95556	109741	106195	96277	95449	102523	103931	110681	111218	106750	109729
Xylobiose	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	261167	262344	163900	167695	132854	137892	107064	108857	100618	100461	29672	33096	125738	118771	168115	157873	159112	153904	127415	127427	182350	187732	75571	70930	124327	124248	49352	49933	261716	106887	237628	243083	96236	93574	98633	98803	142751	138859	177715	179998	261521	251897	278346	267342	127989	134424	162271	160114	28190	29967	378972	383635	219523	212059	162245	145922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Malaoxon	26372	26092	38319	39081	25937	22500	33141	33801	29739	23885	20630	22578	23659	20602	22032	21213	28481	32152	23117	21769	21644	23216	26585	29199	22390	26189	28168	27527	37795	38618	16288	13447	19961	19704	7753	9975	12805	12227	14685	18896	17546	14647	17319	17991	9138	9683	19957	20955	5966	5990	1	1	22786	23555	1	1	12054	12710	32230	29823	40219	42388	79927	80226	21370	19825	40837	40971	31161	30528	150982	148908	23311	23703	31319	30528	38424	66939	96230	99530	136740	117660	117955	123375	51669	48226	123536	124792	92772	98373	128452	121706	41242	51387	141885	147733	120781	125330	42910	43623	109546	113230	45173	48746	83990	85214	30894	31833	58647	58621	51984	50621	87976	95339	99106	96971	75478	74592	111547	113178	125177	124978	73727	72010	99534	100214	87907	84593	121248	119587	107898	116294	134419	136819	104300	104723	117506	115689	126221	129082	108423	104191	120010	115566	86027	89973	76010	72458	50938	47974	106485	105229	67646	67243	111517	114125	65328	66122	143653	146144	135585	140099	70456	76250	6717	6380	5898	5916	1	1	1	1	16178	15304	12485	9503	1	1	1	1	10290	10899	1	1	8647	8234	20551	21018	6096	7044	7896	8427	14001	15068	1	1	11977	12600	5981	5820	11772	10943	1	1	10470	10340	8533	8019	7585	7885
<none> nullnullnull 0.87254465	104753	103132	105924	105209	133717	132906	93172	95062	102112	106890	130709	128852	122995	121657	111196	109432	100247	95685	106828	106364	122070	120144	81789	83768	112024	117580	111910	114467	92024	93744	176847	190251	173347	172960	188035	187632	188021	190644	177895	182186	171534	170436	191522	192252	180559	178276	177998	183976	184650	197191	134164	132450	187228	188285	216781	216844	177903	172541	76303	81566	90493	97387	43301	42696	109326	110369	111339	116016	118485	120963	29054	28212	81084	79428	123138	126735	113321	104460	92111	97958	37031	37432	50817	48523	121575	123493	16853	19121	27073	23909	28001	30105	60437	55821	29018	29097	38033	40589	112541	116273	48106	50423	81283	86622	92656	85710	150924	156349	94080	96536	105487	108216	91668	103870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
519.8466@0.8516307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	142247	145378	135810	143940	134895	129831	131076	130195	132558	127893	110714	104076	118762	112320	92245	87388	109501	109083	123238	107546	117533	133912	111274	106289	127074	133762	103714	102252	75683	79624	100687	101984	106086	99416	89860	87245	116739	113211	125573	125039	129819	126401	131935	133666	140464	140793	138015	148821	98613	90975	130417	136605	139456	133094	144814	153381	28027	40564	35070	36698	38420	36774	42799	39713	27685	30422	37618	36720	43372	32086	28173	36727	34545	31974	33291	39253	35125	43334	50700	43863	32076	29706	38390	43752	39371	31376	41249	37059	27102	33518	34833	30269	43450	48451	31256	44026	56759	37228	23517	34350	45443	38831	35110	43491	27020	28298	15653	18222	30344	14154	20569	23210	25842	28181	20125	29807	26105	18363	23429	24309	24024	28635	22446	20703	25354	18649	27501	37887	41406	43224	21048	23834	32470	26298	37732	32866	18062	18419	37685	30098	20110	16512	26489	33772	24663	18391	26072	55228	36591	35028	33764	32057
501.8593@0.8518932	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60791	66657	72398	75308	72951	75604	78721	74918	86356	78598	67190	72221	88051	79566	53173	56684	83769	76813	83518	84310	58258	59680	43349	54391	56583	62360	66801	68461	116779	119731	104882	106523	107702	107341	82057	78425	128734	124593	93434	99189	70398	70160	92048	96390	64859	70044	72266	70266	87870	84306	68643	67642	73951	66826	88163	70093	90626	88850	99386	101573	75148	76133	92955	92332	98697	103873	92518	88366	94362	96263	90020	85883	92712	95642	89527	88078	87774	83341	94825	93339	89574	86985	94725	90651	92039	88578	104500	103446	89212	94557	110869	108143	93913	95222	98205	98349	59907	59525	104218	108468	68738	69432	88125	91172	100328	101094	55631	53176	60392	61061	51119	50554	95308	87486	46563	44792	61023	59003	82347	80011	68441	60660	54606	56049	65283	66292	56994	50904	45868	46119	65438	67851	48426	48587	50248	49854	65016	64788	50900	46553	67866	64686	57249	57714	105686	103523	55423	51345	49907	52140	52921	49584
Succinic anhydride nullnullnull 1.0695074	405019	410330	425437	415577	210476	444065	203612	502208	273712	395895	354687	351583	399676	391648	369077	356906	203094	169870	371106	523715	150750	148127	393128	612096	208679	184832	358973	148570	371650	355624	38094	35416	57660	55985	23792	25551	63839	23441	38398	47511	31425	23756	38840	39564	53299	58384	27492	19589	75386	50020	1	19413	102893	103041	69158	74140	61197	50923	23495	21280	29199	33839	140948	548244	89246	91250	120838	119885	20951	24220	203519	194074	66081	58707	84452	203716	106983	332962	175328	182588	125609	138683	278178	174332	134404	149654	337914	349570	265628	169582	266631	268787	7256	28088	285494	298307	158564	180235	103950	105273	186511	172363	56727	61541	51195	42033	70888	61787	131065	135580	122361	57824	217245	199141	50089	50005	52369	56306	47720	49249	36317	41378	31173	35092	31074	31024	58232	59023	61085	41000	41581	11266	52963	40603	59652	59378	45640	44892	38000	19899	36498	29896	45088	46966	1	1	48637	30889	48312	41840	49856	57120	40469	55681	72192	67970	48441	50456	38963	55690	54622	50075	84178	75836	27591	25196	24104	25534	90137	94860	63966	60615	193366	191621	31595	32888	78762	75908	26243	27079	29483	30544	18437	20752	88812	85434	98720	99513	37676	35958	61272	62869	68771	67503	30224	31563	69585	67054	21263	23300	69744	61211	129688	125923	104944	106392	59698	60749	140068	139295
527.8803@0.84210706	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	175469	167108	151681	162749	110056	105369	191885	173251	176539	182442	167712	170164	81693	77895	144833	135976	192871	185825	172558	145399	118685	122890	68520	76844	101077	110533	159686	156741	56641	51364	70984	74883	80935	75491	103187	101201	88539	88574	110625	103439	195675	197255	129984	122420	172977	175685	166744	164051	193289	187630	169158	169175	173956	182909	168710	179872	211022	214885	211471	203135	164314	164068	211370	204498	207623	210614	206162	201230	203418	209174	205347	209401	212365	209557	212472	209435	219216	216565	212356	221352	214021	213327	211111	211557	210979	219787	216128	216629	210049	207442	221743	210721	222233	219382	207153	211688	167691	165441	219271	223063	162064	162778	217845	222830	213273	220496	131452	136204	136421	139371	134828	134048	156155	166587	165919	158025	142325	135272	183271	183863	160988	157714	141029	139485	146623	143906	149832	146986	151431	160558	143764	142825	147141	142672	161039	160901	154146	152355	153934	150734	158471	152833	149463	143177	178338	179998	147960	154707	135987	136706	154742	157902
661.3942@12.008999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37254	22283	37908	43216	89072	33481	49302	47425	19570	1	101784	54960	93372	53340	31612	15508	27679	18271	20001	1	190821	149626	2128632	103010	97081	57462	65120	48294	1	1	17048	26944	98623	27057	1	1	137064	45136	182906	41071	54771	23422	216014	120000	25040	20845	470831	87358	1	1	208840	90915	21581	28224	172365	36837	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
615.3535@11.128337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7710	1	1	1	26779	16551	1	1	1	1	1	1	19981	13502	1	1	1	1	1	1	15478	11897	161617	57877	30576	23783	1	1	27751	21567	23128	28544	30930	18428	1	1	34441	24413	36719	21638	1	1	36015	29006	8712	1	37042	13300	1	1	17957	12515	11941	9601	9337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11134	1	1	1	1	1	1	1	1	15153	15850	14426	13086	1	1	1	1	21606	14925	34244	29956	17006	16729	11039	9753	20630	17673	8815	9958	22529	14205	1	1	11316	8525	18667	14514	12966	10811	10345	10034	23069	15430	13699	12380	35618	12068	1	1	20677	15880	49531	65441	17727	16108
C22 H6 N O26	212533	581559	556647	211634	444468	224913	223333	320738	215456	208101	1	1	121995	78550	1	1	1	1	1	1	139891	1	1	1	187993	1	213392	521419	89868	271002	451685	280672	87015	194834	93023	205772	173044	408269	128760	146113	124063	135530	226845	268674	213211	190169	246784	244137	107557	444001	94202	159598	1	124426	376283	68201	145333	110380	51217	81320	98656	44542	124498	74253	117923	149532	40313	18611	185408	57180	240381	31829	98132	31855	53393	43729	21482	38934	98841	118391	254408	1	1	80554	89988	132988	66401	48588	97652	64946	162059	171218	22241	108609	205253	89075	256414	251810	194128	226769	228749	172449	32692	61763	235148	424868	38131	76841	105626	102540	84033	105961	1	94142	90320	115088	43530	164008	117379	42044	92138	127676	31856	42903	300252	91853	61526	96056	98922	121622	117796	52520	72313	417781	30016	274605	28622	30775	50681	207389	70285	89130	60597	106283	18527	70568	100919	36185	12477	39485	99579	65280	41476	143226	77112	109080	81999	220500	76761	132635	91620	59679	145253	14960	183877	232086	345853	181297	444594	192860	142310	130944	448179	487635	1	1	670195	412657	141567	138912	46186	154474	255891	266483	198480	80010	102771	227443	275534	103971	126472	246331	417778	116980	183574	151512	146280	126877	340792	504139	239049	174439	218903	109650	143447	168706	71759	1	282237	55710
> limit nullnullnull 0.8921818	82943	169335	220775	98774	154032	75551	211340	155019	334952	147236	186270	119512	207617	151043	77309	287289	137694	175057	145600	124035	165945	171079	170326	160449	189324	160096	157523	173041	256792	335236	156357	155122	61831	58814	175202	206758	211991	81244	89653	154174	97975	160632	176076	171409	165873	224362	166371	171891	153071	163370	90388	127986	74294	176259	67507	66762	61059	56851	131809	177606	160308	229915	123503	148797	142621	136974	147704	136490	144263	156796	153864	113054	124462	180366	73025	225004	155750	85103	237510	141358	167437	95061	159413	207881	121223	161180	183185	217690	844583	167573	165737	147906	157498	130032	119849	107491	543341	122169	157494	130529	150513	140582	142320	150562	135243	124800	140494	118759	124495	124480	136103	280447	219590	117004	168999	140909	116083	113279	138085	139798	110349	118884	112469	44889	123837	129553	118701	117446	126700	119416	151430	139218	127936	169379	153092	131363	140653	169728	124578	127123	117946	129165	124304	132525	130292	110948	109661	105692	107326	115300	129529	135491	107300	111032	110223	117084	110388	110070	101501	101772	120167	124613	111747	106650	133812	108542	114871	113279	122010	124645	140660	93172	101465	101623	94937	127022	117118	94536	135150	150139	107946	128964	94142	120020	87491	95868	87356	101691	113090	116173	103416	102081	86461	100557	116358	124953	129851	122648	153477	122252	104440	107548	114184	151451	128407	124906	111146	94786	109774	106368
(2'S)-Deoxymyxol 2'-?-L-fucoside	95362	102278	105439	111938	112190	109769	89665	93198	85755	95255	108275	107932	90959	90246	85035	83199	59898	79919	79114	81911	91133	98761	90989	100913	125853	127012	122954	123546	116038	114292	119577	119090	122338	120051	151002	150727	131557	127776	129454	127098	128723	117830	127905	126159	111652	118438	119022	125514	135069	141880	157576	152573	143498	147493	154390	154124	138888	141620	55642	57108	56344	55255	56348	55707	66094	64287	65839	64207	60607	60914	60101	58273	13816	15469	15044	14302	21437	21953	16517	17516	15216	18101	26531	26694	24010	22721	26148	28295	27559	29683	32496	35603	71959	87641	78093	76613	83242	86346	82478	85079	83622	74452	87680	86428	82716	89625	91934	90418	93652	90409	97013	88405	2997432	162184	102721	96403	99767	98958	88866	95520	103200	103150	102164	107629	95696	96852	97619	92858	98777	100145	97800	96697	90025	91269	90228	92334	98012	98691	92882	96313	95621	98850	93416	90353	95862	97219	97669	95789	96054	104594	98489	97425	88423	93592	90464	92703	100616	108351	91741	90404	90393	94830	101364	95277	476332	463145	456540	460155	450126	447526	462429	448983	296818	306732	442949	450498	466614	467163	568845	568939	535145	548405	538023	547764	496207	493657	441177	431540	466321	459205	451568	441093	434046	425011	465953	442035	424060	430039	444738	442424	371178	395823	401400	403884	396253	417928	409134	389255	341096	339284
(-)-trans-allethrin	68041	42821	18912	21501	22905	20166	17197	13870	57886	21635	35358	31454	78978	47247	73969	67039	176820	45493	58709	31717	75271	50990	16577	12158	16850	15304	15100	13975	12665	10040	11177	9245	17392	14930	20841	23036	23351	22526	41428	34482	34911	38623	17060	17042	1	7368	49084	39890	1	1	22443	18162	58773	42588	1	1	28469	29721	15545	13909	33877	34519	21708	14510	22006	21327	1	1	22183	20932	27649	17918	28457	25091	29476	29555	22648	25014	54336	53703	161003	81469	51622	35818	39962	34438	1	1	16551	16856	18969	15089	21985	19813	30059	19868	41654	31729	48642	41017	51268	36544	39520	37552	56852	38859	20864	17434	58029	50663	26781	26394	32173	34418	10790	11714	14126	13888	14172	12651	12288	13176	9083	1	6961	1	8391	7991	8002	9327	7892	1	11218	11002	14640	11214	14200	14624	1	1	1	1	1	1	9003	9782	1	1	1	1	12352	11366	1	1	32408	34289	1	1	11343	9290	1	1	12845	11752	19974	17594	19511	16310	1	1	1	1	21926	16810	44463	51901	25499	21174	10072	7248	12458	1	9030	9434	19421	15786	17828	13505	20302	18689	9501	8448	7939	7655	16511	16595	13969	12067	8494	8422	31837	11957	1	1	15575	10946	17345	53951	17643	11269
DL-o-Tyrosine	21954	24171	16491	16687	7739	8483	18087	18678	27876	27515	10277	9255	16160	14419	13076	11979	24564	24375	20508	19577	16023	17394	22297	22930	13720	13574	22241	23274	32808	35105	36741	36939	44875	44604	32889	33355	21739	20128	56354	55389	30649	33256	18425	18048	52333	50293	60135	68665	15313	16392	8037	9005	50957	43258	1	1	41013	41073	14298	15582	16042	12154	26370	26511	9773	9314	7888	1	14178	15426	52221	53699	13746	11886	1	1	11817	12297	19470	22676	56074	53766	34520	40046	21092	21302	47903	47439	39689	39971	56641	51289	14744	18656	57100	62532	61413	57890	14053	16870	49776	49866	23988	26087	21244	21923	14217	15957	26120	25278	26769	27638	29893	25468	8577	8144	9984	8536	1	1	24375	25829	6779	1	8051	1	12488	14893	7956	7699	10504	11294	9052	8388	11253	12760	10194	11429	14681	15537	7378	7666	17343	16242	7867	8351	16174	13572	7835	8134	1	1	7314	7922	8512	7862	1	1	8824	8236	6672	1	9227	8753	114020	112500	100451	106301	111716	116445	72024	73627	155275	156557	86731	96798	149591	139703	171549	171525	153829	151408	106520	113218	663090	643750	248424	235395	119313	115042	808185	785097	246253	238395	105115	106839	187866	182732	164634	166550	379913	384994	58105	56908	503463	508351	624223	642489	232627	223620
Probucol nullnullnull 9.066825	763117	780345	135270	141879	66231	66489	263900	257794	498193	485011	218106	221558	400516	385935	631497	611448	386484	289102	426570	401685	286170	291405	315065	343973	201187	201382	1510643	1493361	378967	396767	1387589	1404371	730179	722810	1385939	1387858	1108281	1084107	1850596	1857161	1896119	1877585	577894	582543	3857199	3762025	1434647	1479932	551113	558044	144436	157977	1752489	1728140	158248	158209	571030	576919	179641	193754	186956	199451	175696	25688	337599	332388	118577	119907	26561	23487	15711	304424	448806	446118	102444	96756	568405	566762	435408	426569	125218	105484	8034	116102	46398	46141	241555	235864	370539	46912	142161	138332	90513	99810	299282	290042	307278	294816	465544	456654	908521	112639	276740	284240	257081	247065	17082	17259	243639	246683	253100	244628	1	171129	26218	23516	15764	19317	22512	21601	1	1	63990	64569	16838	15784	13743	1	54086	58063	36553	33185	14777	15096	50367	51704	73975	66020	12158	10814	23906	25774	22012	24731	83043	82457	23548	23770	321829	316867	93101	93727	114416	118158	55910	56325	178355	176547	41725	40016	1	1	324730	326361	99295	98621	53734	53131	116500	117037	334861	335688	276827	283959	56143	56491	221404	221907	31029	31837	37906	36375	97585	86748	176506	172263	78926	76669	27648	28224	170257	171932	43730	49143	54419	56722	171055	166563	29314	26012	196322	175670	117749	121019	106871	97001	216969	213509	134294	133367
235.9242@0.86922777	198079	198517	193527	202292	192711	188432	203960	208648	209733	208851	198323	188200	191487	197239	168516	161047	217059	209630	191575	194873	175054	185425	192534	195027	197545	200596	205070	201540	205675	211148	189028	183319	189341	192999	207566	195640	199467	192937	170456	161116	196525	202475	176389	192826	139854	134640	166536	173952	201358	198783	159460	166684	173947	171026	212189	225135	201777	205162	227667	239611	195693	190435	240421	238490	222898	226953	237498	227756	183207	189947	330017	309272	164207	162985	197080	179356	198359	189307	170093	188529	210470	209354	199019	210301	149352	165889	272027	273357	230730	232726	233600	237582	128475	130648	252745	248262	224692	220390	176583	177170	200741	196366	175225	186529	188811	181121	172943	162272	168385	161716	194811	179931	176425	189234	83545	85800	96479	98209	82313	80948	83206	87888	119830	114767	92589	89432	81275	82206	69385	73185	90198	90971	67300	65250	77167	68182	89887	83278	75525	71651	84155	93858	87104	80668	96879	96853	92052	88430	107023	107599	91410	87193	88144	95328	53239	53010	101179	102521	62716	63925	68708	69401	81010	84066	48498	50959	87256	87721	94488	93163	131624	127384	72387	70462	110818	111831	82330	83306	101980	100611	86170	86347	106373	107806	60042	61018	48755	52690	101734	99808	52374	56798	69821	68353	93104	94042	65202	70181	92467	94239	72788	68017	79557	79612	73799	71508	46520	49302	62707	62947
213.8938@0.877468	143800	135456	134735	143319	169402	165081	136488	133684	136964	127385	162577	158929	153333	146361	149537	158267	142679	134937	150044	148081	187687	176661	132906	130713	157707	161744	179315	177391	147711	151182	232798	229405	212208	208836	226643	215950	224963	222557	213686	212446	210449	201050	245589	247032	277763	282023	237469	262228	278143	297140	176336	163764	231472	222286	250758	255701	193689	190156	155234	154668	138074	140707	95740	93473	156231	162296	156452	159587	168903	169178	78019	81923	159912	161071	189449	187267	142702	117390	106769	107507	74687	72121	99119	102832	145852	160769	48743	44246	69520	72634	72792	84800	100659	110228	83528	90332	102670	104718	195596	183784	117728	111200	172722	174045	173772	163725	214567	207138	167489	168293	176718	179561	199715	167425	186781	174959	169320	173574	114549	113198	165344	162872	202029	206262	177589	176352	177764	179442	199206	192377	174767	180433	191492	195502	195011	202461	180808	182009	187898	187531	164483	169224	190541	200853	177118	174148	186975	187403	186312	183437	164321	166083	197589	192620	137455	140057	218226	210363	105086	106713	192915	191458	205966	208802	131621	134949	148901	144236	139030	133341	162835	160458	119675	124349	136194	137006	172130	171806	179717	175457	130539	129404	178525	181100	106971	108062	108489	110131	142789	143627	112807	112027	111669	112783	173382	169161	113875	110670	171180	172458	103529	105002	219529	228483	125836	129501	91713	93285	134546	126329
<none> nullnullnull 0.95128244	33273	30252	27155	29466	43586	40659	23723	7381	27897	18614	44209	42018	27223	32192	22542	35469	40495	20997	1	36542	19394	40812	29460	23426	39504	8816	39434	45695	28338	30721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54039	30580	53921	75602	68993	66379	63635	65563	69484	69626	63202	69359	39644	34217	49576	48606	75442	14392	75492	28247	1	68973	29735	34617	51648	53719	60420	65621	1	35983	32915	47606	34573	36977	79565	43808	31400	48010	35177	68962	68387	70483	1	31757	29941	40330	65795	91360	91933	7427	28812	60234	66279	86225	84167	64111	1925517	2008422	2159635	2172964	1756807	1717099	2145008	2177793	2159280	2146786	2187765	2193445	2090468	2147038	2102108	2170651	2194696	2261031	2183406	2079111	2138022	2100082	2290875	2201885	2146604	2211698	2233042	2267603	2241138	2201611	2349593	2293008	2194097	2212837	2367472	2316295	2249287	2287124	2278484	2252197	1626560	1544762	2180223	2111344	1815530	1769324	1968442	2071659	2152338	2249687	1183736	1194639	1253597	1208575	1147401	1168126	1565764	1627196	1199801	1210346	1284970	1305084	1685588	1696164	1463792	1480231	1	1409638	1461830	1443569	1362381	1411131	1414722	1423210	1465876	1513214	1351676	1352251	1518790	1541377	1477330	1499338	1432425	1344478	1538804	1549059	1477762	1405922	2030452	2028575	1496994	1466378	1368291	1389119	1408263	1448356
Methylmalonic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36083	35329	90136	85695	20119	23952	25197	23850	24419	22661	142386	142410	1	1	22516	24771	16544	18483	19920	18009	80387	76146	33670	34729	18228	17383	77793	83584	51931	43662	111424	112853	1	22449	142051	142084	59188	57180	27855	28833	73012	70632	26455	24666	61826	67767	19893	18980	15383	15392	14493	12857	36552	42140	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.167@9.417225	55113	30743	40259	78964	47227	37915	66456	21126	55190	67883	42684	41989	35470	45196	40532	68752	91405	48956	52716	20822	24822	45561	32041	43478	25687	34019	22498	51117	47057	39742	28291	30923	24060	28206	33576	46637	39002	33118	27335	24241	24716	20292	35849	41110	45661	35041	40755	26372	19707	53692	95390	37364	42082	56749	45736	35069	56655	86236	1	38179	39757	45018	43162	35844	34380	32826	33294	32383	38450	37964	40406	41752	30337	1	1	23255	1	1	19023	1	26442	20413	1	1	1	16191	1	1	1	1	1	1	1	1	19594	1	18066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	336403	28156	21402	24706	17330	14353	12949	13465	44742	51428	17171	21996	41958	38530	18595	43404	31711	47235	21259	36051	15213	47822	52676	16539	19689	50570	39761	45760	64185	58700	11993	40406	23261	38105	21246	31589	49134	20198	46454	29080	16913	60507	41443	43700	29952	16492	40931	43230	55478	37882	47041	22319	32163	26831	19365	23365	41697	22553	16152	42827	54162	23902	59881	35865	14057	48512	28301	45577	22530	26216	31191	30891	40697	37792	84629	71011	26457	32449	36867	36614	33126	89106	111210	100255	68351	77030	90952	65698	37176	34699	69439	31416	34322	36914	45633	43870	130719	20008
685.0109@0.8910003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9427	1	1	1	51458	44961	1	1	1	1	1	6260	73090	79177	7161	1	9391	7907	7977	1	1	1	42069	44344	23845	26284	1	1	134342	138610	81400	85484	60359	64474	1	13199	91919	82854	45941	46351	8679	8368	38404	35684	1	10767	1	12299	1	1	1	1	9603	1	1	12717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.8752@0.8795511	110284	95616	86900	122633	134751	123464	157498	94481	174402	141275	175705	138650	134461	101347	60381	48506	109280	103590	98150	93355	121859	121843	73055	49527	124183	141891	124211	93904	69461	83950	186775	179763	224691	226126	234342	217349	230239	221050	143856	158289	219305	215189	164315	173926	91805	91323	142780	137531	188860	204207	102056	105721	145195	137538	265230	263854	204930	210213	128380	138767	92269	89976	91588	78378	136321	140365	150833	145888	107182	107240	66033	71502	113052	105983	152077	161288	140359	96021	52693	57566	23392	25183	59607	54236	83564	83846	49435	46665	40523	44212	55964	46478	43860	55150	59311	58661	63174	55115	118735	129442	69579	70050	105595	102744	103573	102633	146362	148656	72646	76609	115195	113657	121382	116701	133510	138742	171671	175206	186658	191159	186764	176964	204092	190962	179694	175887	139103	151724	119016	116921	168643	156314	112731	115477	117525	127098	181792	174482	124657	135060	185107	183956	144781	140400	202379	188991	159319	162682	212693	199347	185461	189544	164719	182621	94753	100718	161995	176023	176800	175027	126302	128281	128842	132404	86855	86580	140655	140621	127582	134822	194387	187099	116252	118598	176639	192521	118619	119126	139070	130597	152895	146955	150008	154970	114958	108157	107577	111201	166035	173504	99690	97792	159148	163914	129870	135349	139276	135732	138831	137255	120076	121563	91675	92110	126319	131524	82723	86518	102092	105647
513.8871@0.8437325	94711	94041	90111	94452	132969	130815	83864	79409	99518	93384	124146	120911	119048	116938	101053	98960	88584	89306	102605	99146	126315	129024	71122	66385	110417	115202	106704	107344	80145	79396	206236	205732	202363	208325	204871	207455	213386	201890	199125	196391	202931	207844	199208	212030	218359	225764	205236	217651	230392	238182	162964	155196	216321	218973	245801	249165	212052	215977	149497	145803	135695	130860	80738	74581	168617	164026	173044	167258	161120	144971	60625	54491	130184	126957	183274	178777	161561	141977	104532	109296	56874	61752	80926	80954	147081	142467	44535	40865	54527	51150	53863	56227	73973	69526	65598	61158	83290	84950	187355	184975	93489	93798	147589	149111	156789	147767	200446	201709	138728	138927	167427	163773	162457	155738	90405	93423	114614	105060	94092	90767	101360	104943	101477	105077	92896	101587	99496	102934	83654	90833	108551	113927	87910	91705	94027	95910	103369	109459	98997	99918	103306	104349	96361	90557	115749	110815	100568	103270	110784	117863	112518	108729	105392	107880	74752	75912	100356	104952	88142	83677	83311	91174	96046	102819	61094	58975	66263	63386	66152	57513	85520	90514	49390	50768	66584	63570	75423	80705	71915	70217	66946	66915	73473	71887	58698	58329	47224	47638	71344	72513	51704	55413	59328	55982	68461	74084	54858	51926	73834	69687	62478	59230	90383	92590	61543	59972	53019	51521	58492	53450
4-Carboxy-2-oxo-3-hexenedioate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16551	17967	12036	13104	43208	40934	42610	42426	11316	10133	1	1	45367	40525	16156	13545	35118	33525	75762	84942	70149	76390	73301	65249	119881	123847	25344	26241	64327	59367	122897	122360	51184	53288	1	17020	93965	96272	135938	151272	87461	79000	171784	167233	49351	47810	51195	48174	28116	29388	50448	48625	21077	20972	27820	35300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14787	15293	1	10165	41089	37630	1	1	18246	16093	1	1	1	1	1	1	43760	47526	24949	24749	8867	9583	40372	40857	21782	21507	1	1	22925	19717	1	1	26641	26932	13088	16367	26818	28690	32975	34283	31005	34591
C22 H23 N10 O15 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53097	60043	104908	100317	51791	99368	113694	56604	113458	59425	80001	53898	68816	100297	19795	47796	58688	33608	35930	39564	32573	36324	1	30751	28634	37590	28702	34167	19393	51158	83121	44344	38696	48728	51924	33184	39545	52844	25203	25197	35200	23827	42851	35085	56200	35814	26269	28666	21740	45113	69376	33478	20332	54549	1	23393	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Antimycin A (A1 Shown)	21634	22496	23434	23316	24382	20534	22143	21538	21817	21083	23145	20434	19921	22444	19404	19468	18009	20356	21156	17973	21919	23156	24640	24539	26976	29329	27444	26247	24631	27354	23743	24464	25022	25437	30635	31904	28141	26072	26503	27093	24559	25427	25971	26415	26487	25184	26701	26491	26063	26876	30686	30246	26762	25292	27272	23729	25096	28343	24451	24207	22173	22297	22313	22261	23856	22548	24894	23348	22933	21356	21013	21774	48994	44345	46693	41817	41038	44982	41005	41817	39037	40437	41540	40186	38549	45270	39202	42894	42657	40456	40649	43387	37348	44122	43851	42253	45115	43721	45598	39070	43810	38275	44351	41463	42682	43107	39787	40474	42149	45480	42892	42930	204123	46370	19124	19515	18274	19575	20098	19915	19529	19754	22254	21353	19549	22072	20587	21025	20375	21621	22535	21865	20920	18919	21584	19333	20704	18590	18590	21052	20678	20335	19385	19675	20383	22017	18803	21419	20800	20771	20435	21035	20412	18934	18837	17936	20936	19815	18876	21025	22532	21385	18739	22661	83400	87653	84651	86904	84794	78610	77654	84624	78834	79731	83063	82490	85216	79264	65715	60619	61847	59402	60347	59570	58367	59022	57338	57650	59250	58001	59232	54913	57500	55807	59809	57421	54281	54095	56976	59374	58274	55029	56200	60461	58412	62228	58222	58365	59985	56188
175.0324@0.9335416	121147	116319	120874	118948	148475	138329	104123	103407	164803	164334	157682	161690	146222	140848	80452	78248	171037	153334	131644	125947	126610	129260	74762	73830	147182	172930	115042	110545	85235	89376	224873	210094	225863	228876	225959	220294	232045	215657	162324	157950	227711	229300	167004	183777	124351	122674	140943	147294	188909	211499	149253	146315	184188	172524	257754	255322	270328	269168	103293	105801	84766	85099	100095	94050	102924	98972	110271	111686	85031	86229	89722	98964	81840	70526	124734	126852	122708	128707	85708	100284	40469	36349	88499	86154	85259	85163	74950	71020	74644	66815	82700	86517	67681	67208	104100	97457	110253	116359	116111	115699	105075	99368	95993	105360	120974	118888	138086	136406	76369	74741	115790	118869	135577	141305	105943	114152	133065	126246	139877	134710	146477	135209	112349	120004	117555	112046	115908	115898	90879	89282	132391	128237	85906	85691	107506	96974	140153	138376	112579	112766	141855	141249	101338	99879	145049	150909	111488	111194	149677	151011	142343	139501	124025	121344	64895	67538	106128	106309	149407	148195	90659	92613	101724	101555	65106	68718	77387	75571	68340	70639	107783	103757	78304	74700	87644	87140	73443	70683	78035	77359	92819	93589	85905	83666	86147	86973	95441	97967	100114	96707	72225	65720	124862	125820	79657	84112	105718	107108	91622	82391	89652	86586	67694	65021	81652	84472	62601	59516	72886	73094
273.1003@8.915099	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11078	1	1	1	1	1	1	23238	20825	1	1	1	1	1	1	16849	15296	149835	77991	46190	39096	1	1	16335	17602	26178	26826	18819	17260	13049	15292	49508	36951	41174	48709	1	1	66237	52719	15750	18439	39660	21120	1	1	18706	18966	12221	9973	32609	26736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12010	1	1	1	1	1	1	10804	13422	1	1	1	1	1	1	1	1	1	1	20328	17842	1	1	15332	18023	1	1	1	1	1	1	1	1	1	1	1	1	10643	13335	1	1	13251	11242	1	1	1	1	1	1	10585	10892	14550	10188	1	1	1	1	1	1	1	1	1	20196	1	1	22297	10290	1	1	1	1	1	1	10636	10155
697.6931@0.87541354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107905	117799	85824	79488	92317	85598	113779	116507	118439	117836	78901	92142	94250	84503	73914	75588	156423	158251	160516	133542	91770	88946	59453	55148	82046	88737	95888	87557	75301	70562	72799	71901	85680	78485	45525	46997	83454	78841	91043	92042	135960	137726	98333	103269	110032	111365	125771	121988	174525	174806	87775	95754	141653	135767	163129	154512	11574	15039	11802	14110	15060	12448	18110	15904	9695	9132	13511	20287	14769	15521	16697	15424	18258	11623	17401	17511	12790	18104	17211	16764	15744	14840	20561	21121	13535	13778	19046	13933	12033	14720	1	10642	18564	16551	11857	13369	14461	9663	11704	9267	21595	15237	13464	14069	1	9347	1	1	7344	1	1	1	1	7150	13184	12299	1	7997	9811	1	1	1	9199	1	1	1	12286	10369	16389	13757	1	1	9271	8273	18552	17798	1	1	9148	10454	1	1	12135	11024	8127	9251	14790	10724	9098	12153	10172	7582
380.0939@1.427	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14330	1	1	1	35408	27022	1	1	1	1	1	1	154995	147813	1	1	1	1	1	10459	16507	14935	50602	50808	23219	29910	1	1	26107	32517	63581	60480	81686	83695	1	1	19159	20214	74877	65484	1	1	10952	19000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
191.9356@1.0993806	53557	95411	114452	71572	7879	7687	16266	151306	40462	63836	147083	13979	50998	85415	42023	70776	50225	162150	131005	45131	155652	1	24414	150815	125156	1	1	145808	157279	152926	142656	193885	182192	157394	145929	177269	24233	12241	112124	23087	137033	29059	200975	157418	181676	214183	22040	122923	144002	195465	17105	223143	14659	20552	155710	165721	128917	145090	20407	87228	58315	95527	194612	217753	119208	135964	55138	77124	140303	19354	152421	189892	63724	11613	75127	126249	101653	79143	67800	83899	89800	211375	188849	83182	94502	108622	124210	122343	177691	175322	74076	188532	571762	314902	155210	213028	199563	205524	62730	97439	104549	110386	85097	97456	5556	90930	133499	11019	110400	117856	78152	109130	1	25313	263688	266640	259442	275818	275487	278932	173091	78390	184852	269707	267000	263511	273656	193902	257730	164997	259022	176128	176478	102732	160832	195716	169671	257169	164677	258478	182074	245852	261563	270170	181272	258952	274112	261966	277711	274884	258264	254045	286526	213902	275812	268210	199397	277518	276879	272041	270662	254352	277507	282945	308623	195126	296660	193799	1	1	592444	241766	218740	302105	309986	315882	313338	306837	1	259700	278911	281465	300438	139044	66854	268566	1	1	302911	120905	293735	285702	294259	304953	262821	1	243563	89303	316300	209544	289285	318330	330950	444772	316445	171754	195680	313348	334530	242358
<none> nullnullnull 0.87400025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78214	80079	90681	94281	120846	123233	74586	74908	83387	81274	77679	81019	144676	144036	67556	62810	77044	76009	77499	72362	93231	93164	151244	154335	135480	133501	84704	82663	148397	150765	143048	151835	153157	149461	117630	111357	147210	132388	127728	128768	84122	77671	126100	122159	88771	92392	98501	94506	65494	66949	93188	96933	89112	83845	105555	107609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
329.8682@0.8590356	68743	68196	74190	69879	48301	50808	71539	67173	75192	68475	52323	51024	64228	61823	58384	51177	72982	75152	62352	64915	53195	47993	67709	68168	56987	65378	66276	59649	69110	74084	19088	20868	20373	30749	23766	16270	20831	16369	20320	22813	22261	25451	13822	16137	12098	12771	13540	19240	12652	8880	7179	9794	26545	25323	12942	14221	36066	33478	84100	87134	82485	82640	111664	109464	94165	78014	78027	84978	61663	71786	132296	137751	55442	48181	64998	76720	82590	76176	79393	91314	104988	102885	97284	107306	58751	60004	113393	98286	94236	91750	93681	100030	55768	59761	104472	110534	95947	108965	69208	80523	92403	93806	83683	89958	84624	87291	64057	66058	70990	74349	73654	73004	88524	91374	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
309.9225@0.8526189	92830	87049	91842	90215	107170	107330	82458	82533	94613	95151	108038	102600	99645	104715	92339	88801	92437	86699	99011	96826	105874	101171	75154	74867	99411	108857	95604	96644	83394	78261	150938	137753	152798	145638	144144	151270	152745	151837	145275	150072	145613	144638	147790	152810	145868	138765	142277	143295	141320	148203	118826	112784	148735	146189	160231	161172	162255	156506	145874	142246	146492	150894	89680	92875	181912	170003	172288	170107	148521	146244	52229	48476	109149	110133	146378	153063	166208	185399	141694	140858	70669	71850	93463	95927	151018	141803	33493	32875	49775	46006	51972	51796	93799	84956	60882	56970	71125	81514	146437	141998	87715	84360	122219	124399	126574	127792	156287	153987	119211	117648	135135	134559	155015	141928	133383	139239	148698	158096	126300	124756	147539	146963	146454	151695	140131	140051	144493	149022	145130	137377	155140	147278	140622	143939	146453	149651	153645	155412	146726	149216	156306	157545	143966	148937	164386	165704	149527	156146	171404	167018	151478	161176	157277	161933	123964	113089	154181	155305	128673	129130	138056	143421	155974	160637	87430	92145	99432	99631	87183	94955	130563	133320	90498	90103	100692	105889	132779	128978	111424	114305	108465	105803	107847	106287	101463	103610	90665	88292	114180	114744	101246	99266	100217	107319	107988	107882	93904	92955	109690	112726	110705	106420	153517	154603	104907	105595	98754	97841	100009	100993
Penicilloic G acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	120120	121616	117901	117665	126517	118964	115054	114442	124143	122983	118505	114404	122517	117038	89259	81568	97316	96409	100077	105865	108958	111448	106410	102654	105963	106779	103028	101254	81418	85997	93341	88767	98881	97456	97904	99837	109759	106295	105643	114271	93812	93200	102761	103413	109607	109001	108861	108276	84755	86076	94778	105411	105497	107281	121339	119315	14201	13284	12909	15024	20163	18400	25225	25630	1	1	26870	23328	18751	19090	26298	26378	15692	17713	26697	27488	20706	21446	20945	18250	21136	22859	30305	29293	21796	20394	15014	14182	14036	14680	7843	7498	24129	24115	10043	9778	21290	19350	1	6468	29490	29757	30350	30365	9474	9028	1	1	1	1	1	1	1	1	14853	15980	1	1	6861	9198	1	1	1	6402	1	1	9060	9614	26558	29511	1	1	8800	11024	19875	15841	1	1	13226	13447	1	1	7779	9165	1	1	6922	6601	8627	8957	12983	12894
C32 H41 N2 O13	92606	87043	35134	47376	41673	38526	35890	26871	63880	47939	43268	47740	117421	65736	114480	82175	182505	59304	90306	57178	69643	91834	37991	37272	84595	56985	54844	46064	39498	33130	1	1	1	1	1	1	1	1	10092	6741	1	1	1	1	1	1	7797	1	1	1	1	1	8592	1	1	1	1	1	1	8944	17015	13110	27078	16544	7038	7903	11894	8452	8841	6490	19271	12578	1	1	7991	7510	7950	1	20231	17526	151389	60505	31918	20575	11913	9937	12785	11174	22214	21944	31795	26359	1	1	35411	18418	35143	20812	13964	13617	34182	23177	15207	14642	43809	14029	1	1	19794	14904	14393	14275	18288	13813	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10071	9554	1	1	1	1	1	1	1	1	19762	21618	18550	14926	1	1	1	1	17097	13499	55680	39041	1	1	12048	13397	26140	22543	12842	12584	22730	18192	1	1	14440	14502	16322	16882	12401	10802	13786	14093	18186	13085	15302	16410	57863	15051	1	1	28529	20902	58942	83356	18900	16951
C18 H6 N O20 S2	90156	96756	89868	87318	91708	94251	89995	91861	92070	92946	92907	86182	92131	89192	93924	87670	90861	85162	95587	91538	89460	91133	93137	92821	103579	108841	99699	99480	95182	94437	53158	52790	54902	57172	55435	55526	55213	51306	63711	61672	58600	55312	53677	50809	53568	50406	60163	59105	43115	44582	61361	58782	71443	69657	42205	42103	70275	71214	50917	48590	54637	50496	44018	45021	52808	54904	54216	53332	46941	49611	26786	24065	102578	99938	87020	82296	59113	20291	18304	21851	19791	22147	33677	36116	43872	49387	19947	22086	34289	36709	39544	42114	44752	86062	54392	49353	68108	68545	95549	96054	77105	74634	89549	94080	88974	93738	75954	75559	92138	89650	89936	90604	152349	96415	39483	37252	35172	35187	48047	47860	38573	36770	28949	29034	40742	40313	35563	39431	42482	40610	37728	35724	41815	42606	39087	38998	39051	35865	39934	43659	41890	41613	39666	41268	32742	33194	37390	35478	26795	31234	39135	41267	33926	32297	48919	52143	28977	30318	58671	56615	40968	38264	28865	29706	62656	60539	56730	54574	60360	59502	37899	41269	76463	73632	64429	63511	54059	55160	60702	59623	66635	67121	50140	50032	85719	84284	86848	85171	67079	65245	85333	85085	86531	83393	57448	55765	86990	83669	56078	55663	80139	84723	42110	42561	77044	81461	96565	95871	78601	79002
324.9118@0.8631057	83972	88608	81463	83838	89810	84420	79815	78959	89014	85617	76683	83233	84735	83090	76678	72178	90105	83785	86595	90647	82743	76314	70535	75957	88414	85211	88889	87844	82583	80925	88904	86701	99090	98599	93215	95581	96880	91849	83207	87252	109252	103060	80988	82003	88059	85657	87027	86465	77981	77326	61281	64990	96650	89467	69820	75701	109876	109891	168378	160812	164689	159811	194870	201496	147611	154293	156135	147658	127462	126898	206957	210800	127138	126018	130983	141492	144271	126268	157451	155526	177431	181315	197727	187496	124875	122446	169649	161371	183480	180572	187584	172618	149580	137681	219907	216501	219788	212024	162078	154888	218304	218812	184430	197907	181142	186394	116236	118385	185922	188266	182073	166436	213814	189748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.0545@0.89299977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5872	7469	6733	6762	57925	52619	1	1	1	1	1	1	71436	75866	1	1	1	1	1	1	1	6107	43497	50507	25722	28632	1	1	127801	130583	88630	94069	60996	65107	10125	12440	96553	88693	49365	47888	1	1	36525	35003	9696	12152	7919	8458	1	1	6432	7102	1	1	9461	8164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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754.3919@11.8661175	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13046	1	8156	1	1	1	11994	1	14811	1	1	1	1	1	1	1	37072	25096	129570	41850	13254	1	1	1	1	1	1	1	1	1	1	1	40114	1	38379	1	1	1	66645	17704	1	1	139337	10726	1	1	32795	10484	1	1	21165	1	1	1	1	9901	23099	26677	1	1	1	1	17738	13618	12153	15825	17233	29197	1	1	24885	20668	1	1	1	1	29203	19415	17076	19090	1	1	1	1	11416	12408	1	1	9601	11284	1	1	48563	58864	1	1	20749	29707	16162	20777	1	1	40793	49544	42911	32008	56794	25577	15855	8877	23486	1	199849	161603	18465	1	12273	1	34825	21959	13197	9201	22434	1	16856	1	17489	13668	17227	11510	9459	1	16682	19463	26345	1	13783	14137	167779	11991	1	1	40324	12043	91145	156084	22359	11430
797.2893@1.021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16007	16508	16791	15908	25015	24112	1	1	11374	11677	1	1	68702	69275	1	1	1	10330	1	1	18857	20289	25826	25615	45415	48108	13517	13184	145947	146245	118482	118906	46303	47534	1	9110	63476	65981	77074	76808	17939	16088	68936	63090	18080	22331	22485	22338	1	1	30066	31576	25875	26358	28007	37480	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H41 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12539	12552	1	1	9610	6395	1	1	1	6910	1	1	16304	13348	7162	1	10208	9196	26825	23443	158319	55184	32583	23555	14869	15499	1	1	9968	10931	8267	8215	11184	11385	19803	13933	26888	18594	17086	16907	30917	23302	14782	15403	44184	19736	1	1	33327	31964	19189	19889	34314	27377	1	1	1	1	7090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6579	1	1	1	29085	28611	1	1	1	1	1	1	1	1	1	6944	1	1	1	1	1	1	17064	12247	26060	17460	8327	8194	1	1	1	1	1	1	19268	14637	13447	13440	11974	11886	9615	9132	6845	8004	7241	7005	17273	12730	1	1	35617	10366	1	1	11186	7774	8066	15327	14460	13924
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C6 H2 N4 O3 S	33362	34036	29267	32978	27906	30721	23964	25316	38947	38960	28334	32616	40833	29568	23864	12865	53132	37484	30120	23493	25814	29332	13024	11678	26325	26296	21824	17983	13931	11092	83115	82826	79211	84013	84104	80985	87481	87589	45753	46630	63507	68005	70003	74604	28285	29247	39880	43330	97695	94342	61586	57015	52993	50631	118055	124298	89154	92234	59696	59824	42093	41650	50015	47915	52800	47772	61267	57493	46476	44909	50989	55943	47701	44570	86860	84008	83212	70834	30627	36561	15365	13265	47688	47315	46436	54190	58175	58361	43582	52653	61511	61182	21863	42990	71531	74630	63513	63469	79929	81766	74209	73184	66413	73542	84392	87674	106464	112197	60297	63429	82939	81047	84063	88860	78216	79956	98870	98911	93417	96353	108182	109273	99993	101655	40321	92253	79395	78818	58232	65857	88664	92585	63337	59929	68946	67220	105359	101749	81672	76876	99852	98984	76063	65022	108394	107077	79023	74034	110589	110791	90331	97307	85789	92074	29126	27390	87452	96236	88156	86739	50250	64991	71007	70209	24002	24024	28773	28843	33430	29097	52640	53426	31973	33070	39933	35363	29599	30753	26159	30295	28262	28593	26571	27906	24409	22140	36101	33780	31948	31905	20122	18212	46967	48605	26835	25774	31168	29758	27317	29416	45975	34287	40172	40526	25723	25661	22181	25183	24534	23210
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448.283@12.371998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87283	1	1	1	1	1	1	1	132220	1	1	1	1	1	1	1	15891	1	128638	74157	20089	1	1	1	1	1	6834	12006	20991	9958	1	1	39665	8973	44291	10707	1	1	143463	29939	1	1	26544	1	1	1	26279	1	1	1	14895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
579.8754@0.8472666	76384	75431	73189	70848	105194	113688	68874	62537	81391	77579	107406	100950	93243	93147	84012	80559	71572	70782	80041	80280	107766	106586	56272	58337	94161	91700	87072	91380	64737	69188	191795	187071	186771	194805	209209	198170	202535	206972	191801	192317	197916	193944	196533	207906	187247	183973	187829	185172	202847	202077	165965	159465	192509	186881	218362	221465	190085	196172	70281	67609	75906	76627	27870	27004	105336	101872	96435	100390	99095	98203	18121	18090	92046	87636	120810	124297	103396	83357	47168	51139	17451	15311	28063	28832	87909	92367	18743	16646	16058	21971	22966	20870	43780	46973	20888	24494	37139	33238	118498	106589	39261	40822	80168	75635	80906	78558	137043	132648	86456	85795	98658	86628	106827	90102	149671	144581	156732	154624	130206	130806	148871	149831	167674	171131	147801	154131	154620	152037	144706	150883	156000	156715	138408	142855	142994	146825	154968	151426	145446	151065	148962	154452	151707	152009	168172	163345	157762	161183	177211	174065	155277	159583	169371	161048	117980	123015	176707	175609	121603	122525	154915	149109	171847	170982	122249	119201	128447	135100	111578	112987	181366	181565	94532	93721	129353	127148	150656	155219	135357	138157	124353	122579	149379	155005	110699	108767	80348	75995	139988	135215	103304	96291	98861	95432	138495	144923	94673	94322	137414	139460	114983	109481	190372	187303	108310	111920	96301	96726	106679	104285
445.895@0.85971576	79409	79439	73968	71670	81332	79647	72615	74866	80227	81883	75234	75585	86927	79423	75223	76663	77050	77725	78368	75161	79684	71354	66019	71832	82297	81708	81874	75747	72862	75736	93166	88123	100173	99738	94503	88049	87455	92879	91122	98239	110226	101170	87841	91997	86398	87235	86191	94991	80605	84075	71870	69840	97889	97809	91807	93104	116400	123395	163780	171332	174878	179386	238440	226344	171322	164468	170730	165923	130358	130480	208714	211868	120176	117058	151062	142806	172486	149129	150783	159963	212618	210995	197664	199122	121052	118078	210197	200497	199847	212765	189679	192680	124931	134751	224393	225470	218366	217998	168277	156132	210849	206287	178970	192866	186415	178912	124310	118184	170146	176842	186226	183018	216541	207185	103409	102703	110176	107446	106110	106081	112661	113948	92421	92958	107181	110766	115266	116776	114732	111496	111800	112614	111076	111178	110029	104951	113111	114101	104940	112749	113017	119842	109452	109160	113234	112228	109567	109417	105461	102131	117955	118283	104022	105384	95753	94105	95877	102503	117537	120663	112327	112395	97233	104672	57463	58030	60478	58483	54272	55430	76015	76374	60666	59654	58941	58926	81519	80677	56852	56514	57276	63774	60159	61909	71399	64570	74458	69981	55471	56240	64474	63850	75069	70401	58543	62584	69713	66103	56048	60072	75282	72555	82303	83223	69193	67873	69288	66762	71323	69436
58.9826@8.700996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40424	54514	47982	29964	50136	56146	48489	39834	49053	46683	53853	37460	51758	43778	29166	38355	42271	36583	36115	34642	38318	35740	47100	46680	45399	39543	27222	30746	33087	36130	35401	50154	34901	38217	1	40313	33966	47277	47287	37653	27506	29446	26591	42133	34716	24121	20592	33156	43745	34693	22209	29604	31076	33495	144225	42553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
333.986@9.546274	14816	14523	17323	15906	15092	15162	14010	13912	14412	14869	13387	14887	16391	16461	16231	15974	17307	14742	13862	14073	14608	13648	12455	12819	13486	13239	13477	14406	12971	11194	12246	14134	13356	13373	11862	13596	11971	12362	16504	15125	13214	14788	13177	12398	12848	13910	13002	14147	13784	11798	101113	76617	54373	38716	32637	23923	24218	20842	12847	13268	13691	14187	14246	13492	13611	12595	12823	13398	12145	15508	13714	13002	21162	18203	19360	17165	16400	14824	14895	14499	13162	12731	15560	14411	13602	15544	14943	14259	15294	14121	14289	12865	18252	25916	26764	20365	19839	16069	16759	13395	14339	14512	11104	12456	10182	11292	11988	9792	10427	11427	9252	10736	282027	1	8837	8869	10055	10575	8018	9594	9694	8500	9278	9132	9238	8734	9884	8453	1	9467	9963	8192	7235	9930	9306	8455	10627	8742	9129	9977	10104	9445	8010	8331	8965	9657	10968	8317	9060	8490	9236	10554	9465	9362	9469	8850	8917	8313	9634	8202	8269	8437	7846	10230	9436	10349	10857	7612	9171	9108	9863	9232	9307	8913	8111	10219	8118	9632	11871	11095	9516	8868	9515	11430	9150	9420	9052	9895	10306	9589	8137	8066	9316	9098	8479	8408	7232	9211	8394	7210	8469	9056	1	8763	8425	7967	7618	8248	8004	7912
2-Aminoacrylic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	546699	548668	549655	552476	1407739	1381948	354535	350445	355873	342045	321547	303839	870270	882158	409989	391454	386029	379213	324088	289118	570377	592630	981620	993524	748416	774583	398840	408488	2189287	2172262	1491760	1548584	1250212	1288342	399458	450426	1291550	1312434	1081918	1084336	624414	597024	1068110	1053755	546368	558142	674668	656826	290502	283267	723026	726324	548061	517831	997968	651411	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Methylsuberic acid	35179	37958	45369	44816	42625	40469	50513	48246	58172	55627	51879	47462	47720	49338	40171	40668	39126	47438	40920	43430	57684	61127	53315	55128	53014	57159	48750	50521	48338	52646	52863	50534	44756	45041	52750	58004	52455	49921	55178	48489	56735	50246	57546	58704	58212	63008	40859	45041	87222	91780	49349	45116	67257	62338	46060	52608	71176	80950	69312	69679	74700	75394	72370	69138	68838	64272	68146	68091	63331	62783	70022	74332	33734	35274	26007	24308	18934	20792	20435	20639	27734	28706	28578	27852	17544	23995	29942	29912	24254	23270	19231	22408	23933	15460	26805	30232	26140	30456	29732	25563	31473	28706	17875	19354	23389	24367	23849	21489	22644	20870	24440	26234	66520	24846	44580	49055	35546	41608	69859	71286	42028	46876	46305	47909	62378	63750	49306	47816	55239	57582	47332	42918	58066	57116	68796	67125	70415	70777	79055	78681	55137	51785	75148	84733	63892	58932	44887	52111	57410	57624	49371	51868	53831	51314	63677	58276	56730	53916	69709	67056	65292	63871	69149	70639	35357	32267	34087	39131	41318	39366	41865	39247	38402	37997	38263	38394	33388	29661	54823	56048	58748	54984	54029	53602	64543	56841	64042	61090	49892	53638	56911	55744	54378	56233	58596	50622	59614	59606	50085	52126	60789	57408	65409	77058	62661	56121	59942	58180	55657	56708
825.8144@0.8389987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42005	46929	41810	50220	48836	46613	41793	43403	37965	45460	36735	36665	28639	28707	82780	82859	64259	57011	48641	14137	12824	15084	12479	19986	25555	38784	33902	35227	23866	26330	44637	50566	49300	49038	96366	103341	61844	59160	74754	69546	77689	72846	83059	86026	86725	86344	84319	82338	50566	48939	82203	81003	73251	72884	132009	88408	13361	9709	11188	13061	19677	19764	13875	16388	10994	11404	16993	15374	17085	15789	16861	17743	10526	15381	12311	18078	16029	15805	14881	15690	16336	17808	17050	17693	15971	14151	12096	14098	14644	10270	10758	12103	15444	15731	12327	13723	26029	25150	10208	11356	25810	27777	16184	15752	9761	11501	25533	23720	19590	20754	24670	25186	11775	13343	39143	41010	21871	23755	20059	21948	23521	22990	30710	32728	16077	16687	49071	50413	62293	58584	27975	25550	51615	53389	50566	52341	21715	20376	51887	49822	21204	22638	48435	45631	12972	13097	43156	44351	57972	62471	43650	44421
Sinomenine	90981	98557	75424	75362	56098	51085	72422	69860	71611	72502	70466	73712	79152	93129	83607	88178	65271	84282	65121	72828	51311	54415	80047	83296	55224	54177	51335	51972	60115	62313	8184	10570	14912	14788	1	1	10223	8169	7739	8655	15256	15921	1	1	1	1	12110	12387	1	1	1	1	12738	14688	1	1	21319	20765	18142	18832	33231	32811	19437	18886	17341	14875	8863	9602	22011	20334	41287	41298	31296	29599	22420	22153	16888	14950	60001	56417	71686	93512	123089	112055	37901	35012	43647	41636	52032	51930	42036	43463	25825	27669	71798	71001	107683	104788	44227	45042	82533	83385	50813	49684	73575	68763	17039	15887	59058	51701	49172	52830	67369	62937	30244	29573	25194	23793	49594	42777	39972	40137	9394	9701	41111	40805	20293	21782	26741	24478	13591	15580	40699	35305	44543	42217	41941	37588	25735	24501	18197	18739	27271	28205	40328	40691	19722	20505	10804	10161	35814	31163	18984	16353	76411	80092	13468	10863	57396	56599	23224	19132	15588	14052	1	1	11080	12308	20085	20814	1	1	49143	48424	8413	9816	51051	49279	1	1	9226	9891	1	7750	36079	38519	51967	50172	22390	25204	9773	9651	25990	24036	35775	31832	42299	39278	1	7477	20354	26450	1	1	12825	13093	9726	1	36529	38218
204.0994@4.2050014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21494	20661	1	1	1	1	1	1	1	1	16426	16019	16726	16798	16043	1	1	1	26911	31351	56473	48432	41346	41308	22223	27841	22370	21165	20639	21783	18641	16122	17009	19395	32151	32311	43280	49172	27367	24479	50941	46349	21906	26470	31599	31578	17863	18464	41444	45070	28945	28449	67561	40654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 N O2 S2	139519	136477	138107	141101	144530	141295	129269	124041	146760	153727	144928	142233	144373	143322	131685	128354	159739	138491	142775	129403	134151	131727	112499	116196	128082	138428	124967	128396	111375	112858	172865	175805	177426	180840	172660	175090	173721	170562	175830	170367	179369	177472	165759	168062	152217	153919	168335	169079	167907	145289	109343	120683	174112	174883	177284	174779	164602	202308	112119	110389	112080	121303	90942	89286	136594	129256	136759	148241	128223	121403	70191	65585	89493	87307	127659	121926	137991	171352	147068	148252	85004	81635	93233	88080	121807	122608	46167	43363	55901	56752	60742	55314	86689	72496	63258	62874	70674	70207	118595	116441	80957	79775	101262	101897	106306	105195	124831	130084	104856	104226	109719	113053	112022	120462	146572	136643	147507	156410	125397	135885	147546	154489	149902	156196	155443	147405	150433	154718	143695	146063	153013	154713	146590	146708	151017	148507	161448	159354	148895	147132	154344	159537	148605	147130	163884	169888	160144	152745	171440	174043	164743	167576	158715	162695	118369	123799	167300	171213	138617	134811	160123	156660	172794	166784	98409	94182	105982	107110	92182	98051	133141	134654	99225	99521	111872	109844	145721	138328	110054	111471	99959	101140	108795	103978	108301	105179	104336	96646	114779	113623	102028	95978	109521	106695	107428	107894	96782	98065	110156	110786	106012	104112	149747	136811	104233	104113	103083	105045	104296	98329
771.3952@10.808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26682	18934	1	1	1	1	1	1	1	1	176141	60956	50558	39658	1	1	16825	15578	24635	25618	26581	22708	1	1	46964	33154	55442	45836	1	1	40798	33223	1	1	27903	1	1	1	1	1	1	1	15334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.968@0.79445845	41191	48773	54041	47449	14120	63619	54818	38096	58374	55412	43283	52109	45827	53564	96589	31460	52225	43608	43831	47056	43806	42796	98850	96227	48753	55605	47725	48843	53402	52753	81886	80722	75097	85970	88582	82912	85686	81145	87421	90403	87934	61306	85536	80166	55708	88333	79485	84589	74277	88786	76795	39099	91199	56887	78556	78054	59866	60424	31135	35873	26756	27754	32454	27731	29928	30861	31274	34972	26397	25834	31463	33812	28957	28820	42769	42392	40528	38334	27950	30028	13160	16071	27073	30520	26938	28788	32629	32164	25508	26637	31007	33384	12473	22164	43724	44561	40679	42026	38223	38080	36770	38481	37155	33763	41220	36888	47496	51369	34067	30267	39953	41522	44743	44924	73981	74318	77597	82000	75455	77920	83430	86836	70555	70436	38539	70846	69671	70095	59609	60629	75229	73107	60335	59954	68547	63372	78772	80058	66850	76541	70382	74906	65036	61314	82660	77682	65528	70264	83842	87357	78303	79020	71139	72190	52035	48705	64009	67714	71723	74529	48705	60344	63097	63400	34367	37813	36949	38806	39749	55233	48873	45984	41116	38225	41082	43433	38125	35670	35743	38918	37986	54165	35865	33171	39403	37229	43285	43469	40726	38647	32785	34558	50498	47721	40428	38056	41610	38571	35441	41961	46210	45748	34415	37298	35257	38115	34210	34308	40839	36961
Threonate	293666	304914	403144	402535	343909	341879	449633	466376	487156	470635	329444	341928	397316	392838	430518	432363	281293	293212	367583	380365	245137	245442	428874	450328	269247	276394	285486	276069	297957	318349	349276	354669	349967	358790	332438	336662	380697	372013	593121	584705	441337	418950	333233	361787	388241	382378	530433	541603	164157	165489	176720	194287	504549	502204	240893	238846	486012	474872	302237	290058	469143	457641	651637	630976	377394	388228	333739	325959	302374	300968	773429	762180	316461	303699	320862	326967	271036	231667	271876	289120	546843	574712	477422	526495	287243	293632	699237	682235	624397	650373	864466	865372	437330	578635	816331	802223	849257	876422	412392	404198	776556	777842	567220	558911	623889	611539	292483	294014	423749	450439	286061	285657	667751	541936	151502	145133	107763	111008	81544	79451	111046	114748	76247	75087	111192	106194	143945	144807	167027	167564	106523	107532	226133	216451	197563	210787	88397	91720	121296	121235	94250	99821	147202	147731	70665	76796	128898	133622	104405	98052	128166	126654	136364	138756	210154	206159	97013	84210	121064	121042	160265	161582	100911	107004	96243	100291	149701	153292	184483	188043	57473	64508	201580	214656	124143	123966	255837	249397	128638	120547	104426	110685	64659	60459	234931	240566	198948	207064	159625	158027	272136	265296	135061	129580	160689	165244	163233	164055	90378	92742	197234	191716	83580	79128	179471	183449	236041	241942	203429	195511
845.6413@13.953167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	253412	52389	1	1	1	1	1	1	94360	1	105755	37675	1	183510	336071	73365	211581	49751	46129	510191	227892	473987	177085	81465	432660	44792	53790	32570	96884	1	158859	307177	149501	35710	39706	26306	693630	43921	115086	65490	280403	76440	42921	18040	334939	320003	1	254698	330492	111893	162490	39341	26816	52687	241687	1	34774	210261	1	17090	1	240743	1	1	1	18026	19901	1	1	1	1	1	1	1	26502	1	1	1	1	73680	1	1	31258	1	32582	54803	1	1	21192	1	1	1	1	1	1	21046	85925	1	1	1	1	37273	33594	1	18232	186343	67163	1	95983	82346	285574	116914	54607	97223	35857	188949	519152	83406	35022	1	1	84830	97703	1	119648	38002	26335	1	46277	1	1	1	1	42037	1	56168	165583	1	140572	170199	39656	518922	1	54471	97152	1	59670	56643	126374	1	1
hexachlorophene	125950	130177	137466	121876	143598	142532	121010	115472	144745	140070	144743	137293	134491	136309	103371	108544	146985	149638	131054	117495	133858	136572	94909	104409	136423	138909	134194	133224	119862	107267	174683	172719	196501	194115	183723	185467	189291	189062	152923	150222	186933	182421	159117	162881	129842	131619	151820	143446	168304	183968	82981	89755	150870	148525	219473	211993	196492	198725	172374	179820	131309	140084	131160	126493	171925	176728	180639	179233	151192	152552	133927	125414	111043	108624	162321	162074	156947	177526	117684	125496	76991	76843	109141	110231	137515	136748	109950	112194	97629	98792	105343	110767	65096	69006	107105	110482	104329	108483	156199	153236	118245	115056	133600	140465	134754	141209	172177	169177	113863	102530	139340	142968	154993	152484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H9 N O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70756	71279	86228	85469	103429	121124	57376	62366	68706	69204	65017	66859	147214	149897	62554	59248	76490	72692	51431	52071	92402	97465	115760	114056	95062	97205	79358	78488	183323	190381	153081	159217	174583	155211	87223	75061	176283	172355	152255	145473	83827	82888	130803	125961	114251	96477	118518	114369	52584	53034	79509	96306	87108	82806	125536	92554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Carboxy-cis,cis-muconate nullnullnull 1.278999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	679428	656005	479135	486217	1290368	1198909	960469	961038	566190	584295	420870	414235	909596	904651	373179	357454	475544	482746	566607	609042	819026	882063	1001697	954708	1137522	1146763	627131	620672	1327149	1360228	1300615	1357600	891809	878032	248343	331153	1339330	1339521	1154919	1193434	751355	761220	1627313	1597603	581184	594139	581114	578550	576349	579420	515969	530012	408150	384172	668591	608727	177609	188146	237381	243706	234682	255087	253466	239893	199704	183628	234100	229517	250929	260966	318292	319534	225349	221842	262865	267432	202505	194120	176881	178545	219917	212341	219421	251300	199097	168228	117435	126039	276437	279945	385130	371304	287026	296411	339000	349554	321417	315965	229044	235988	367686	358553	251447	239402	368148	378633	459325	465174	405598	410827	389755	385953	253953	242206	611317	693471	373398	381368	628592	603544	359349	371865	506090	502036	377806	365641	705965	709187	533728	537184	444760	446009	1131815	1104234	663193	652213	429510	420749	573244	554547	404040	417918	628195	619072	295026	309890	603853	604976	866439	851095	685073	698920
Nicosulfuron	24334	26175	30064	30614	19233	19629	25044	27130	43510	42686	24340	25463	25677	24122	34965	34137	26071	30822	38431	35410	21986	19479	21569	21998	26282	26072	33346	33780	40837	33595	158748	155920	284641	276669	358394	355017	150125	149490	589168	599642	157089	156930	158797	162446	195045	189975	289144	298581	125915	127207	49956	51364	455245	455257	77884	84406	381148	381392	103389	106278	64254	63675	27545	29938	47150	46350	36431	34948	9719	9562	25132	26800	61453	62492	69910	67964	52018	56573	73588	69098	16167	16236	27299	29993	13669	12955	30032	37582	41268	43461	22733	18552	33258	31395	19663	19319	40677	38604	102395	103629	67651	67793	47625	46050	60192	53541	1	1	141879	142518	82313	78144	45524	44018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.903067	58189	61203	58396	51412	57553	65137	44862	41852	34697	33922	48259	47956	62250	57898	71427	74453	65312	62518	65398	64108	58785	62430	55960	52542	49440	48474	77772	82009	66194	56784	47884	67347	45430	48215	50333	53717	57442	56785	106474	110246	60755	62373	91563	84860	94616	103825	122980	117462	48004	52114	46433	48909	102608	100966	37546	30238	104486	98007	124483	121845	60523	55849	72718	70909	71026	69679	74672	71468	103191	105632	72967	66803	61199	66454	128626	125678	58932	74775	112986	106907	72508	65116	68942	66673	92448	94861	106667	99081	77811	80952	56036	52029	21780	33342	84709	84403	53027	52458	68884	79083	69640	69144	42919	40177	29643	35491	47675	50581	105373	111374	42762	40347	75303	81678	128324	126842	102470	94601	173409	177313	108203	111370	87591	88142	104565	103830	116791	113540	138433	135620	98899	106656	131561	135818	137325	129491	119996	120765	113328	115837	113907	106918	123202	124580	81152	81502	98751	97894	77608	72154	116551	114533	95653	100106	181291	191370	79103	80142	111863	102568	145682	154070	108928	102243	101477	103524	89482	88971	146832	138824	66923	57844	160911	153583	115906	109107	155446	163299	106544	89034	122867	115735	54089	63084	199949	189793	148567	147597	91349	92293	167887	152707	147849	141790	84620	107857	138461	135479	86715	92896	185211	199529	83900	108654	194384	171918	181464	191937	175334	165209
373.9088@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68970	11512	60582	57692	103503	104058	12163	11130	12824	57989	9951	8421	111081	107645	39164	33586	20228	20716	19773	17406	60385	56969	70606	81160	77354	83332	41563	10420	119643	119950	101315	100853	103448	104058	60121	59618	120774	118762	107436	104351	57866	15155	93819	82148	64721	9682	13759	64902	11106	21096	59533	61002	12380	13968	14150	83471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
417.8357@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	94561	98890	95530	92170	98435	98792	116129	113416	117083	110597	98011	87839	98302	95371	61116	68417	113819	112645	115098	99943	91358	88260	88054	88151	92226	92903	85151	86023	90646	85425	80469	80125	95808	90110	64336	64033	90761	99571	98304	92929	108413	105678	93698	93620	99063	99594	101692	104703	118056	116291	85419	85793	104103	107658	120483	113755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H11 N3 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13485	15275	19364	19108	23577	20296	10508	7237	7911	6992	22765	24981	51656	50997	9188	6919	17777	19262	13904	12507	25352	25564	96393	94277	97490	92228	39347	38122	68300	64910	63633	69192	75509	68795	7518	19135	83731	85906	103453	102691	16562	20702	81966	89507	25693	27248	44898	43937	30175	29852	44984	46931	30834	30261	43698	46260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
340.2063@11.468473	55192	245375	410360	227061	122803	103379	120003	195470	227985	179016	203667	146391	78613	9905	18204	200112	422305	62779	38082	49002	207314	30699	208020	33112	220318	215172	205295	233186	220157	184778	176745	7684	111581	212792	100881	11713	241686	101174	61602	96318	184712	205300	222754	106444	209578	186629	150929	157370	115236	184181	240758	120516	22919	252433	150904	111454	234492	36483	42293	51065	37746	37814	38887	40755	41645	42666	38730	50444	42882	44016	38849	36419	44241	51164	34087	26798	1	28849	36080	25080	59668	23637	38433	22124	28088	21404	1	1	1	1	16504	19007	1	1	38078	1	27135	16475	26198	28414	17640	1	1	1	27699	13375	34330	25269	33440	29348	21826	15176	134541	24516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
527.072@1.1739999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8723	11968	1	1	1	1	8791	10687	56223	59191	1	1	1	1	1	1	1	1	55017	49856	8046	8676	1	1	113557	120612	61663	63110	46624	46640	1	1	70697	67940	12979	14422	1	1	27387	26305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Oxohept-3-enedioate nullnullnull 1.5400007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	160148	158854	109653	104597	520992	529379	149122	146521	124917	131558	24992	73803	292603	324412	56620	51445	83734	77020	72456	76618	118419	116610	290240	312397	304919	315775	71930	62151	725384	735460	449740	201400	314747	310477	1	57004	496246	489562	334756	342975	121073	114508	463067	473622	108920	94334	100947	97401	82046	80663	110616	117302	100175	97843	113039	137095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
449.0002@0.84136355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56065	58683	57521	57321	54512	50506	36474	31337	50827	53869	95420	90394	129863	44672	66514	65675	67597	64488	34925	21061	27400	27002	90303	96198	53017	104688	90150	97145	136343	137884	57398	56116	84235	82850	68328	91157	94698	91500	180158	174321	56518	56356	149107	155618	78558	79869	84968	92055	108197	113515	94787	91886	78414	80669	106661	94877	1	1	1	1	1	1	7521	6508	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6714	8865	1	1	8618	7577	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7621	1	1	1	1	7231	7066	1	1	1	1	1	1	9311	10754	1	1	1	1	1	1	7200	1	1	1	9816	9403	11321	9695	7591	7184	8849	9683	6857	6969	1	1	7730	8889	1	1	8319	8487	1	1	7105	6728	10761	8152	6558	8195
C18 H30 O3 S nullnullnull 11.252345	330093	320534	445803	504079	178392	253580	373712	395473	418895	472915	464996	451123	364953	389657	356982	363154	484056	209113	293055	507102	147524	274500	324552	375203	357069	460834	362580	355588	449913	455191	174944	387203	433189	422653	300066	462234	432761	317414	412287	526979	180714	444009	373498	434168	333186	442648	530597	207729	240385	291799	36805	201771	404275	458020	403428	375849	628849	445855	54337	51460	55863	46541	47077	48525	56718	50778	31864	49816	55342	50418	60881	59397	35825	44397	27316	29597	25129	23661	30624	27186	35583	26276	32447	25548	24684	24823	26228	24615	22649	27160	22879	23689	23215	25809	28479	28585	27168	34684	35692	30494	22768	29103	25008	25745	23597	17571	23514	30823	24755	27858	23105	33883	173819	29213	29082	19905	30672	23899	35428	29890	18383	23491	24766	25123	28323	20094	27553	28898	28776	27233	20997	20629	29884	22115	23814	27896	28778	24619	32412	34160	22046	24042	35218	33391	22512	29729	40717	23676	30343	21730	19602	21667	23850	20467	32527	27347	33209	38202	18134	37591	27161	36568	31922	34807	138018	71891	74248	248835	156552	140448	219992	202574	139424	162916	134892	170960	122506	122969	127941	180109	172903	181276	161381	122616	174184	248908	147308	276974	175268	153301	156157	179643	142167	172977	108870	163631	157747	143144	67031	143517	171747	182237	207511	150128	246386	221534	264153	172288	234812	126348
C21 H11 N4 O4 S	40187	37269	117895	121328	71681	74336	107593	115199	76319	84099	88704	89878	94000	93711	104961	99098	46392	42806	92180	88401	23183	21885	144677	153393	114385	123336	54086	60651	81302	73987	10162	11147	14914	14285	12125	13128	16019	15461	13137	14506	22107	22774	11537	12243	9218	12673	15839	17636	1	1	1	1	23517	23533	1	1	20290	20926	1	1	34298	35269	38966	36732	19317	18378	32280	29556	97828	95850	44627	43668	1	1	40522	41721	1	1	55351	56791	92116	87541	15726	15058	114420	118884	57262	56715	25040	27718	36375	39195	25865	38463	75378	78090	12593	12752	13072	15367	21088	18645	43986	46366	69595	74763	90011	93772	1	1	1	1	39774	58606	1	1	24959	25673	12066	13519	64154	62946	9246	8462	58155	58270	27437	29357	63304	63357	19744	19751	89791	87695	1	1	25839	27527	63099	62423	60544	58032	55847	47913	1	1	28313	28655	18012	18683	58286	57058	16538	16170	1	8147	22601	24651	48535	46775	76243	70987	13793	11836	16178	12557	1	1	1	1	1	1	1	1	1	1	1	1	8896	8126	6632	1	1	1	1	1	1	1	1	1	7499	5966	1	1	8393	6755	6282	1	8180	7925	1	1	1	1	1	1	1	1	1	1
182.0767@0.98300064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20518	18841	22465	25155	32818	36511	17286	18183	16517	18641	19257	18069	54999	55166	16736	12660	14967	16843	17789	16797	24240	27049	52930	46440	38061	45053	23686	24290	55200	55713	42527	55106	58499	61821	25064	22987	69251	64374	68518	61400	16010	16181	41289	38481	28746	31896	30288	29635	21993	18168	27726	31434	23726	21643	35475	31403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
217.9417@3.4427457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18490	157583	77402	1	1	74821	10846	99383	18221	27333	1	24256	58708	12007	1	53600	55231	1	110561	1	98966	1	89007	365721	126558	14820	101951	215034	1	55262	129271	70872	72680	8092	57025	1	84901	135386	211835	202381	1	57734	119434	20490	97366	1	59311	121307	1	67893	85654	48450	160197	124716	41478	29150	129240	13246	1	49688	58927	96109	74034	34760	24628	39336	1	1	159728	1	1	130410	85988	54801	88298	102203	81836	110166	140909	244227	25960	25909	1	66619	1	42030	1	1	34193	23244	1	169128	46201	53324	1	22911	35396	53988	1	1	1	24354	37921	24343	1	23758	10980	38645	1	1	12319	44347	1	136968	146619	20898	1	1	94390	166347	28133	226240	15235	15735	1	29667	38279	30262	1	93392	30137	27793	1	30096	1	19719	23408	38414	31905	1	1	1	11056	1	24280	87345	9523	1	25610	1	67310
519.8436@0.8509994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	151107	156758	147606	152230	147334	147814	135802	135925	138430	135806	112293	109510	124695	125110	94573	92783	119018	110401	124421	112662	124213	141442	113246	112409	141829	148690	109683	108652	91574	94762	113278	113922	114714	114509	97489	93741	127843	125545	139773	132760	136444	133685	145038	138552	155093	148278	142459	151051	99995	96417	142626	140204	141971	135781	150520	152776	28236	49959	26828	34416	33867	35866	37771	33996	22362	26207	33245	32197	39088	28811	27012	32935	31085	27015	30198	36779	30682	40548	44755	40137	30189	26797	34494	38457	36288	44345	38788	30921	25925	33468	30604	26268	38714	44816	28269	40964	26332	27458	21759	29712	41971	35504	37404	41217	21007	26155	15108	17775	18347	14651	19321	44327	25202	26318	20069	30568	21309	15290	23200	20980	29915	18263	18273	18468	24464	16023	27266	35180	53171	37361	19651	21586	33632	26741	35712	30772	16645	17967	35836	27515	29851	14773	23620	32551	35184	16708	22422	53317	39304	34429	35051	32878
447.8825@0.8687367	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	110283	113319	122254	121294	91204	91063	120870	128120	122446	124124	90787	90231	68992	70557	86315	80807	105328	101686	125815	106723	105406	112823	78448	74450	98778	96794	77442	83290	67253	69322	74193	79503	77195	71720	74297	73572	85167	84170	104996	100469	120595	123702	113823	91639	123337	121375	130772	125598	77582	78750	117196	130017	131631	130006	143286	136939	64692	63790	63356	60401	61669	62697	72777	75377	44689	44382	72788	65865	66847	67509	76205	69948	66229	60728	80082	74046	69156	67813	68844	72711	71265	76796	75207	77400	73487	71561	61297	57036	60775	62390	45002	49525	70469	72023	56609	55070	64570	62560	44843	46822	78135	76330	76597	78223	50560	45286	24070	24236	17925	20348	22212	25453	27546	23229	44608	42890	27507	24181	39365	41250	24785	24626	28592	27234	20003	18822	39419	41661	54238	56894	31403	29907	38104	41698	45205	48525	24794	23595	45364	47411	23747	21054	42988	43261	29363	30124	43576	40095	43451	45830	44119	45968
171.9097@0.8680518	87746	83904	87542	87186	62183	60962	88518	88250	77418	76989	68030	64868	75600	72951	71440	73442	80543	80568	74461	70603	57045	56485	90423	85907	65936	66428	72823	71807	89953	95269	19968	16081	17223	22183	13796	13622	17576	18922	20524	19491	19061	20313	17871	15454	17443	15979	22588	20053	9095	11257	11479	9316	21636	21635	10858	14036	21711	18981	64472	62052	57649	58498	81308	78025	47796	47620	46651	50753	45800	44138	110899	115302	47634	45106	41393	43146	44430	40698	62786	63424	102385	102474	91875	87403	49547	46658	113687	110595	98344	103162	102960	103685	62957	60287	99329	97312	88048	91416	48423	48765	84958	88305	63295	65799	60737	61717	33506	34317	59892	63288	55004	51621	68567	65653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Val Pro Lys	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66692	65003	22794	20685	33102	31942	22930	22349	1	1	1	1	29444	26154	20083	19683	1	1	62034	62752	44759	45002	97004	94817	43014	41401	1	1	123007	118766	71892	75263	76779	78471	42329	49286	60930	59127	42317	45850	21226	24223	37012	35219	35782	34802	30426	31570	1	1	14622	15818	22456	21318	28839	25760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(+)-Abscisic Acid nullnullnull 6.437736	64067	65542	54334	30612	32833	23925	33511	42972	38948	35702	30969	26087	60608	57248	95357	93517	40056	54060	34548	35173	44674	33809	48059	53923	14439	21828	25054	30662	25480	43350	32068	19252	29034	29436	25431	12671	15239	33004	26100	22351	39520	33669	19302	7763	12495	1	36537	39385	1	1	1	1	46593	38634	1	1	47022	32355	12512	19718	34184	35544	1	1	17998	22157	1	1	16133	17078	32656	29383	33412	23807	22123	19960	19793	18468	63749	61486	96985	106156	98933	104579	42467	41880	21066	26685	40161	46454	34156	39215	30130	38172	53676	55903	100165	109652	47712	48295	74891	89277	43638	46081	55883	67555	14061	13613	109103	105620	30049	37932	366915	54958	26567	34517	23393	21407	39194	34862	15259	33563	16414	16424	21028	20568	1	1	20179	21625	1	21872	26470	32467	34309	28700	33801	20850	1	1	36803	1	12898	23725	20140	22172	13103	22605	1	1	25262	22895	26171	22337	43407	51182	1	42245	29268	30684	17710	26289	26513	19147	15558	13255	12694	1	1	1	1	1	24993	20830	14675	1	52165	49405	1	1	1	1	15139	1	27345	26712	48281	30605	24493	21735	40902	40804	19918	21570	16714	18841	24293	23500	1	1	18618	43099	1	1	1	1	1	1	22334	21349
C3 H3 N O2 nullnullnull 14.047998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20922	28552	20988	22105	22659	19544	1	11384	12572	30037	1	40437	39895	34711	491505	180499	35502	49196	27715	43712	492837	1	158773	1	1	1	14551	19177	46412	45668	1	29349	86642	31609	40189	59120	16860	89119	31616	104611	17050	59288	16716	59037	30252	1	1	39620	26690	110883	20781	62292	1	56492	254582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
316.8612@0.87643987	64051	61689	66127	67874	56740	46554	72964	79123	72705	70765	52454	46695	61420	55316	48743	56411	78445	63960	59407	69005	41525	44748	78885	74896	59867	65187	53416	56479	69589	68651	26510	27617	38411	31858	32970	31811	26680	33467	29852	22872	30174	32885	21150	23072	19001	23202	25197	22228	18148	20912	13970	19986	28120	29009	29254	22971	41761	33173	63414	65271	74702	77032	82746	80621	72526	73204	71847	70504	56849	55325	67381	71965	46804	44560	60383	56985	68705	63831	74408	70268	76511	73207	72093	76476	53608	49735	53593	56449	63639	66963	68949	71587	65414	63687	75577	74469	85016	85442	73550	65040	80077	79723	72597	74434	79510	79681	50159	47300	76177	76790	77582	72762	99440	89114	26310	26625	34810	28155	55663	63670	34327	37309	16077	15810	29251	24971	31773	32504	40513	43921	30531	34994	39902	40405	19298	23134	23486	27463	45757	46600	26109	28841	41391	38428	16448	22541	29727	25305	21424	17553	40120	36932	16791	19155	49760	50937	22138	18769	68436	78120	42517	38817	17604	20234	1	8213	1	7614	8209	7477	10895	10357	15732	17568	9728	9853	18552	11623	9097	6330	12180	12078	1	1	19986	23216	31652	28020	9542	8706	22505	20922	25915	25720	7718	1	21821	21880	6667	9581	21133	21304	1	9526	16611	19455	30431	27633	19648	19718
563.3231@12.043739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33893	1	18741	1	1	1	36496	1	43382	1	1	1	1	1	1	1	102300	71429	608104	234327	78426	15556	22057	1	1	1	1	1	23311	1	1	1	92043	1	68170	1	27066	1	103607	42904	1	1	331689	36663	1	1	98653	33888	1	1	68968	1	1	23911	30622	28172	39792	40191	37363	35619	1	1	41792	44567	45609	41158	57077	56826	22416	19675	89322	80467	1	1	1	1	44656	44351	76514	83027	51875	50484	1	1	37033	37636	1	1	32433	42096	1	1	159349	121649	1	1	69632	73136	85404	87343	1	1	28508	37720	27134	21504	33680	17365	1	1	22466	1	138703	121914	17024	1	1	1	26217	16295	1	1	18029	1	31068	1	17056	13464	12495	1	1	1	20070	22302	38320	1	11247	1	127996	1	1	1	25816	1	47080	83280	18671	1
729.2474@10.761836	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6689	6994	14488	13227	27409	16229	7103	1	9334	1	7450	1	17817	13554	1	1	8607	8657	1	1	16663	14522	137650	62528	29304	18684	11920	9719	11289	11308	21218	20295	30333	22068	7092	1	30637	15227	32706	21823	15200	11589	32713	21512	11932	11852	41188	13667	1	1	19613	13984	14043	12904	14409	12418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9422	9663	1	1	1	1	1	1	1	1	20037	20516	17026	13546	1	1	1	1	15859	13238	53566	36950	1	1	12825	11417	27523	19620	12357	9995	21516	16636	1	1	14051	10467	17978	15651	11143	8172	13503	11895	20325	15004	16864	17406	56205	14601	1	1	28706	21216	56168	82334	17367	15036
C22 H28 N16 O	17984	18249	18183	19495	18487	19421	17050	16982	16143	18672	19675	16498	15232	16280	16013	16664	14886	16590	15101	15639	17950	18151	19308	20214	19945	20267	19992	19938	19868	20711	18254	20230	19906	19384	25657	26259	22342	21290	23087	20069	20080	21503	21967	20659	19567	20217	18999	22079	20389	20393	22613	23230	21019	19620	22673	21916	19882	19715	23781	25449	23882	22793	23214	25723	24005	24156	21517	23094	20974	22914	21799	20482	46707	41245	44917	39377	40797	42489	39849	39120	38019	42504	37264	37003	41003	41534	39282	39798	40990	39442	41875	39717	35321	44723	41570	41987	42468	41228	43983	45432	42954	44277	41862	42544	39059	39890	43084	45511	41775	44859	39378	42186	190097	46546	14999	17311	15676	15462	16073	16384	14478	17993	16734	17766	16268	14541	18237	17334	15725	15274	16268	16113	16461	17457	16329	16482	16051	15947	14589	17176	17105	17486	18286	14946	16668	14802	15167	16356	15352	14785	17675	15877	15204	15862	13498	17779	15810	14648	15110	16050	16510	15410	14077	17590	66389	66100	65214	67457	63340	64940	65063	68254	64448	66560	67553	67515	63397	65283	51452	49190	50911	50893	45282	45404	44507	45393	43713	43211	49521	45403	45447	45179	44934	44942	47328	46389	45047	45149	45831	48868	43519	49273	46729	46087	46185	45662	47868	42485	45591	43287
> limit nullnullnull 0.83817154	82675	81474	77634	74764	104064	98244	70950	71616	80444	79492	102987	95415	93875	87983	86302	87693	68997	75923	83291	85295	96715	95972	63012	61366	94989	90723	89530	85182	69066	70632	58813	57139	56994	62042	53613	47222	53944	53791	71120	70958	65133	60145	51376	50074	53323	53095	69008	66771	37417	37483	72663	69306	80377	79404	33546	37182	71342	73114	45583	44691	57144	53820	36784	35927	53530	53052	53521	58921	54847	50796	32795	30075	116843	112794	102654	108249	64115	18668	13307	17968	21605	21578	26184	30782	48718	56616	31026	31165	30898	37879	32804	35760	67250	74818	44081	35459	44176	49643	116367	114968	62412	61105	101054	101283	98258	93348	94227	94884	96325	103037	100529	96384	142485	107989	55199	55381	55881	55893	64198	62159	59579	55540	52068	52383	55980	54246	55579	56814	59265	63002	58732	54792	59713	61198	59727	54864	58591	55383	59090	58945	62466	61034	56325	58700	53745	55591	58091	54057	53055	49126	58687	61147	54109	51391	55331	63300	49273	52158	68658	67850	59513	57216	53376	51662	71044	67319	65766	70734	66973	71336	55216	54497	72399	73674	69545	71213	63321	68066	75378	72982	80661	79717	64185	68025	92122	86564	77015	79066	79661	78195	85568	84296	84191	80339	69272	67082	82647	87198	70142	71856	85625	87652	59577	54278	85481	88645	88058	85415	86074	85354
> limit nullnullnull 14.031691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18865	153290	384400	75137	1	125917	7675	200432	1	88656	62062	416191	13979	24281	73905	84544	81501	89108	138935	50820	45874	165020	1	63515	89241	164173	657860	251579	26347	22994	142529	11764	51111	148407	57105	20766	146101	16515	158575	1	326290	14288	26703	75702	21116	254715	155526	252643	20405	882676	152246	29781	75750	10898	116532	182662	110337	27627	55471	39444	38521	394697	21122	75610	61555	33948	109271	33876	1042726	21087	15752	356565	108162	23839	28615	461307	18064	30684	42526	24980	28037	77988	42632	93571	22952	44487	47050	19425	14497	97836	15279	41277	16682	52392	17835	17264	97778	78603	13201	101850	141667	60639	61315	14493	14403	14666	24010	23743	29161	44671	209951	37113	46837	24882	103756	22111	392573	136859	124500	446797	112137	24130	62443	74300	39235	1236752	202129	39091	245171	24455	110215	58834	31967	24605	87549	279040	32137	24045	129515	37450	941047	18021	185366	63469	28026	1288494	185799	19998	32504	150748	1527496	154866
C18 H21 N3 O8 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27605	28258	24106	23046	78946	83125	10364	9195	30010	32782	31316	27924	67000	70383	9358	11985	10715	9898	1	1	8572	10934	31274	44423	38491	37785	14175	15585	29471	29952	111559	104449	37185	39222	21341	18584	37597	40905	32799	33770	20373	19425	43563	49315	38790	40984	23706	27686	22665	22568	10398	10227	44310	44341	19585	32004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
244.2039@10.766875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60458	1	1	1	87512	1	1	1	1	1	93344	58831	1	1	81098	1	1	1	1	82209	39276	31658	82981	86812	29400	97783	1	1	1	18152	1	1	1	99818	111858	1	38686	56449	1	58132	47956	129941	1	115520	1	90653	101919	82389	116112	32979	1	97643	220181	1	94089	105357	75607	106350	153781	124801	100480	115335	146366	135508	56915	113469	112156	106233	106083	119885	47773	132024	108118	135355	144683	96567	134550	94923	74294	139120	61592	112006	1	60349	21283	1	121974	52878	129896	84440	52813	54356	24659	68361	71529	78944	55883	80860	137552	112658	1	25463	93728	67667	136837	1	145757	66829	134884	113598	124150	121261	128825	61831	129115	45571	138802	112952	67921	21742	61508	90119	64788	33568	60146	144225	90771	128326	137688	121701	79829	92767	78600	115267	1	128021	39794	76827	78044	111786	62006	99541	1	1	124678	122442	134652	29297	109266	55709
706.9924@0.892	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12586	9715	10875	10873	62189	59082	1	1	1	1	1	1	84291	80877	1	1	1	1	1	1	1	1	58141	57661	35782	39409	1	1	118324	116749	91476	91280	75676	71071	13626	13955	91243	92584	62631	60632	9051	1	49258	45209	16651	14986	13374	11317	1	1	11156	12375	10015	11219	13369	14384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
493.8233@0.8558956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85150	85330	81092	77848	75510	86824	95022	84499	99201	94889	82557	74730	92139	89097	54328	48761	82104	79413	87215	105644	88278	89011	71295	72281	79702	79179	82758	79183	91852	82035	72281	72742	71284	78369	42147	41471	79695	75941	77281	77414	76264	82107	71154	67333	78104	71696	74921	71634	86389	85924	74511	75543	73082	75644	78374	84109	66134	64313	81328	76395	54005	59952	74381	79024	73940	75451	75187	68379	71818	73881	66851	65763	71963	74429	65055	65298	64477	64294	79538	83392	73602	76123	77417	77145	72800	66205	85280	85563	72363	72896	85837	84946	79895	86016	76385	77240	47141	43293	73501	77465	53402	51175	64541	63627	82862	86632	35413	36455	39927	41110	31601	33016	62974	58246	30771	32911	45615	43424	56459	53752	45923	44128	36191	43080	45603	47529	29372	34091	33145	31011	42124	45300	35744	30691	38534	41879	44888	42447	32387	34508	42456	44908	38261	40118	65616	69246	39637	39588	32689	34486	39207	38635
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403.9055@0.8839998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53393	67158	79833	71130	138771	151336	61250	59270	51645	61655	38493	39647	140537	132539	60395	63280	47938	56419	54577	48053	65657	68822	123512	126329	111016	123031	31695	38536	119324	114396	126737	143062	122316	135944	88769	106360	151450	150779	155999	161542	61881	62511	151372	143142	95584	79514	69256	86770	36190	24462	75051	95750	59700	68163	112936	88697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
186.8823@0.93253195	22140	21957	17581	20811	30535	35051	17464	17605	14117	14890	28069	26512	19330	20252	31088	29976	14191	15774	21860	19249	33845	31793	17498	18489	20508	22683	25325	27322	19532	15292	65102	61322	39988	41905	46622	46993	56645	58209	38704	36929	59495	58604	77873	80789	97981	106208	57194	56341	87792	86584	136541	117500	50065	46403	71835	74444	45245	44047	18938	20255	35793	29934	16515	17540	28454	28356	25609	23256	33553	35129	10679	8207	85539	86361	51317	47069	44320	38962	53690	53741	54836	59945	37422	37445	70398	69806	14261	15480	24002	24755	23971	21927	56463	122146	35826	35692	30744	34232	67545	66908	44964	45829	67539	65509	48745	50840	58540	55843	69596	76931	54519	52635	39133	37778	20027	22972	17554	18106	13052	13541	15901	14135	23331	22559	16181	17216	19575	14728	18458	19805	17503	17178	18492	18393	20588	21067	16006	16535	15003	17737	12258	14196	18080	17553	16678	16270	18919	17258	16158	15132	14694	14235	20395	20162	17686	20456	20353	19864	9708	10027	19677	20762	19354	20584	23502	22616	22445	19817	20579	20539	26393	24605	18126	14958	15485	17100	23342	21882	29097	30795	20390	20823	33601	31593	19513	14370	16063	16282	22120	22872	18168	14154	13334	13153	26797	29375	16881	14291	26458	26199	16674	16286	41808	40188	19000	19327	14512	14902	23358	21423
C22 H23 N10 O15 S nullnullnull 11.435999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	102780	81186	1	88056	100240	98365	96303	75003	97143	98725	78893	70848	86285	88636	1	55826	46672	54369	40781	51581	39647	52795	1	46447	21722	43336	44294	53637	47839	34309	52948	21594	48823	61786	39226	46378	46437	54668	32989	20661	19200	52313	40597	37010	43390	42421	34267	45132	58966	52428	16937	49340	38481	38951	1	21378	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Agrimol C	109324	116425	35557	35924	16486	18030	65270	59318	132688	129342	42655	43354	77742	70321	81462	83075	62035	57579	69322	66249	61859	61256	71380	70336	52923	49654	227930	220227	95803	98577	183616	183513	122524	123802	251988	246918	249685	247729	273810	277807	248320	250063	125337	126665	310847	309781	195661	203952	70264	73610	37547	43379	264601	259465	32415	31098	103576	100799	36246	37879	47509	48600	39608	40253	69094	65161	27682	28180	1	1	78470	74574	76236	74072	26134	23748	85972	87379	80913	80170	21225	19567	26835	26221	11623	10186	54666	50760	69554	72287	27808	29431	16836	22256	65269	64721	59548	54839	85540	81329	128483	127550	86675	86403	38970	39758	1	1	58507	56635	53460	53095	37894	46005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20755	18999	1	1	1	1	1	1	10777	12339	1	1	1	1	11813	10929	19331	20013	1	1	52627	48184	29505	28049	20629	18183	13158	12450	33498	36227	1	1	1	1	49257	55281	40379	40232	20885	21847	20635	20575	77341	71359	38957	39430	20096	18050	42057	44719	15161	14328	16332	15361	35146	31814	30253	29720	31970	34768	12654	12856	23825	25147	21287	18961	23401	26133	20757	19069	15695	14108	25104	25878	20402	23823	13955	14235	31789	33644	19509	18197
411.2045@10.207399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23440	21476	15976	18918	1	1	1	1	1	1	49319	42838	8831	10296	1	1	1	1	39997	41076	130320	135244	140223	133599	22447	20744	59526	56950	61871	70716	55592	51671	15186	18392	101968	100139	137240	139431	23056	22397	102756	101956	41626	40485	51842	52015	1	1	40250	39032	27799	27243	27345	37230	1	1	1	1	1	1	1	1	1	1	11165	10792	1	1	1	1	1	1	12615	11973	10299	1	1	1	1	1	1	1	10220	10920	1	1	1	1	1	1	1	1	1	1	22025	20749	1	1	18535	14709	1	1	1	1	1	1	1	1	1	1	1	1	24356	28997	1	1	23964	20342	1	1	1	1	1	1	21194	24091	14275	16791	11684	10110	1	1	12855	12716	15267	16542	15274	17878	1	1	14010	18912	1	1	8426	1	1	1	21029	24156
Propanethial S-oxide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	190942	218149	197622	202580	268218	278956	275642	274931	254264	262120	212773	218320	327893	339988	191166	188578	253688	253937	264250	276163	239555	252803	250132	265651	244994	260751	224527	206819	470072	473055	399135	407448	325107	325585	201487	230942	375200	386403	334643	343131	289087	299345	302076	294936	263674	260088	248710	259320	266542	247599	213782	224419	255367	210772	325528	289222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H6 N O10 S nullnullnull 0.8393233	182013	175196	171604	169253	184052	187817	170442	175047	180366	175972	188868	184224	183203	180742	178605	178670	169254	170485	178147	179284	190478	182728	170762	176722	200513	214407	194014	196371	182638	182802	229568	217177	229750	228140	239210	222663	229272	226205	223260	233571	227018	229222	227575	236066	236703	251085	237450	246649	232971	259724	250371	237049	263793	261779	242026	246593	276249	281787	200228	103840	207033	211863	212089	207135	210706	203347	199949	196272	156599	154716	145345	141571	240600	215739	226741	212246	210295	139193	139448	153528	152372	156799	174949	183931	150346	148983	127261	123097	158321	166255	161744	168906	149325	218374	210324	205674	228229	229091	252123	265291	247103	235122	265108	262604	263139	258991	218871	214672	258839	255443	267891	261169	347538	280507	187450	183597	186829	187499	180380	189907	188886	185686	178484	179213	196390	185664	180164	186828	188695	190600	195260	188200	187736	194113	191502	195740	196316	194422	198949	193474	197714	196552	202543	195255	191795	198569	199351	189464	188616	190189	200724	201522	196355	189615	189893	188756	186526	188865	210337	209812	199987	193509	185730	188055	187577	176311	190693	188645	191340	181319	207242	205902	194192	187151	197374	194765	208818	219806	203999	203748	201917	198279	203070	202467	206560	204141	201156	206223	206046	204577	199593	204080	210532	205879	205937	197684	201832	203452	200448	207505	210005	205159	229116	227456	208715	216474	217116	209306	204118	207969
327.7676@0.872018	63467	66398	72181	68275	96945	90199	66177	60199	70844	66451	86519	86832	81926	87034	75301	74127	73315	59809	72599	76765	101239	96899	60852	58670	78259	89946	79587	74490	70935	63262	195414	189888	181430	183715	201164	194298	197550	201814	180186	183249	170082	175274	206227	202353	186337	188900	175224	186021	210449	225611	124630	117110	178380	170941	244807	241399	159773	158483	50462	53062	66633	69683	32712	35923	84993	82088	83739	87065	103409	99639	34158	30291	59625	56764	105707	99433	72688	63458	49658	56928	32452	34313	33899	38685	88788	89650	22974	20001	31340	28544	35483	32466	39586	34598	29863	34916	31799	34101	85630	88747	39063	37010	56643	62439	63193	64335	134406	129893	67628	63993	73670	67069	56012	66388	163705	150480	182373	176511	96034	97862	157738	164944	197827	200484	166074	155223	163169	159975	151994	155967	164561	164660	148982	153361	161570	161751	168734	172618	158610	163340	161438	160355	165233	171199	180789	181064	171318	175302	214957	213925	171917	172044	192736	192116	90896	90895	204054	208584	79511	80749	155200	163103	201611	205402	89804	94390	108652	111003	92015	86950	183138	189629	67765	72961	110738	109679	163076	166682	121335	123472	97108	97307	124763	129104	79658	80679	56020	57136	113212	110630	76146	74609	73277	70794	115650	120649	69634	70841	121467	121391	86393	86403	220663	219115	92962	84177	67442	70720	81877	78689
94.0534@0.86499983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20219	1	20858	20047	75740	80541	1	1	1	1	27590	6611	137993	131795	1	1	1	1	1	1	1	20336	102762	104336	88100	90887	29037	33374	112676	122667	86674	93380	118829	118258	1	7767	112732	112898	112949	108403	1	1	66879	40630	1	1	1	1	20260	20653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N3 O3 nullnullnull 3.0242765	52762	41668	62294	43949	46954	56981	27971	53432	55792	42435	63983	37855	50216	68748	51609	42923	50152	46647	53652	44439	44478	59149	48894	53841	64395	80178	49210	42842	57485	77129	57409	61551	76396	75117	60775	66402	65083	52366	55697	72669	59628	53015	61631	75312	60877	75563	54441	74439	94133	68565	79375	57345	72499	70848	73878	95047	82736	70410	110550	80588	64044	66356	68144	62136	92189	75632	76742	63910	60173	119836	66939	79521	99939	60550	85928	63939	87095	60586	59726	71288	68638	106165	64609	55372	48354	61299	81661	51505	82548	61037	56342	58655	1	73064	74575	69444	73006	110569	83944	44480	52410	69214	78920	69130	64508	44280	59818	66602	71470	66879	87024	78893	87170	105751	74647	75984	81128	85491	81764	79317	61700	70168	96892	65127	81361	76989	103139	62231	81848	68212	88778	75810	103427	90022	67282	77164	53512	80688	71944	107442	91413	100209	78141	75862	63552	75464	63648	86782	82211	104412	87833	92737	73612	85881	85150	95305	99589	71184	102758	82528	71827	71180	87676	107602	71222	72555	102119	70369	77026	100839	86570	153372	71233	83287	74253	75416	69174	56228	74237	89414	64357	66290	62679	81244	95803	90999	75821	72919	71460	72054	88542	60390	79050	87726	58433	52153	88497	61104	104195	61056	86118	67286	81836	58085	86648	87599	72992	113019	83341	104259
224.1048@4.530277	41672	9353	76859	21627	16292	1	14521	22041	20840	24968	22059	17000	35584	7001	11294	1	6513	87099	29913	26828	19708	21339	19003	22131	1	1	15934	16433	1	13371	1	1	1	1	1	1	14005	1	15282	12100	19432	1	1	1	1	1	1	17815	1	1	1	1	25801	21079	1	1	1	12987	1	1	29143	19007	1	1	10159	1	1	1	10697	10147	18191	17535	12985	11342	1	13474	1	1	33029	40119	54070	65885	38911	57967	20192	24153	21628	31179	25987	27496	10663	20611	20473	16836	36534	45437	45909	50005	18625	26939	23424	47602	26984	28671	24575	38713	1	35859	43571	61400	22394	17047	25496	26479	1	12369	1	1	1	18357	17095	1	1	1	1	14855	1	1	1	8966	1	1	17720	16288	19189	16003	17042	11595	1	1	1	1	1	1	1	14534	16198	1	1	1	24735	22451	1	1	23494	21333	13366	1	1	1	15590	1	1	6768	1	1	1	1	1	1	1	1	21377	23593	1	1	47159	40195	1	1	1	1	1	1	19538	21180	37523	33808	13786	12750	32431	7227	9994	1	12431	15637	11307	10070	1	1	12830	22547	12583	10073	1	1	1	1	33838	18497
393.8922@0.85133463	89332	83540	76494	90887	78708	71440	83441	75853	86255	90328	75703	74278	78206	85914	73101	73747	94293	94398	85399	78678	72546	70404	85898	76590	84077	81728	73784	79896	74915	83561	85550	85794	92744	91056	93506	92122	85898	93022	79183	77690	84249	85579	81065	89068	73652	68549	79655	73770	85268	92649	65335	68612	77805	78409	106692	106965	94118	89612	77424	71324	64628	70168	89123	91823	62682	66750	69368	74332	55429	65783	74844	82918	55457	55377	63749	61945	75366	65771	59431	58434	56427	72238	75262	84162	48461	47426	53597	60637	71898	66557	71080	72656	74181	67707	74340	77215	81214	86881	65095	63625	87480	84927	77963	82579	78355	80031	56763	61561	68272	76000	69927	73043	95774	91470	8954	15126	13505	10181	18234	14653	18644	12111	1	15006	12605	17436	15425	14739	17981	14504	12007	21721	18041	15193	13453	17081	17802	9818	15502	12907	19061	17336	14253	13179	11926	16366	10403	9765	8526	10266	16961	21894	12551	11047	14524	15894	14827	14856	23594	21369	17097	12105	1	11124	11116	9653	12561	11072	11928	9258	11668	11054	16321	16433	10657	11597	13059	12901	10298	11142	9866	13894	7966	7917	16388	15890	21249	20484	12930	8917	20580	19847	23835	18827	11017	9864	19636	17653	7247	9829	17570	17143	11339	7802	15129	18032	21893	21430	14486	17465
305.8423@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68830	66193	65676	69802	69252	86853	73046	63843	71529	84281	53235	52469	74458	87430	29609	30395	57343	59723	65404	82976	89219	95440	86720	83088	82307	84638	62638	59823	57816	55755	69085	63875	65844	62411	47114	43959	57313	67047	64341	67775	51732	62415	64470	70061	58868	57355	63865	54579	50247	60538	44385	55567	65148	67977	67791	61043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
204.1137@9.416993	63053	67561	31138	36432	40380	31976	25439	1	31719	34676	42834	46265	22922	57980	103315	94598	120974	28580	26057	51254	47556	53960	39266	61154	17834	38464	51775	21366	47574	49015	1	1	28356	1	1	1	1	1	20049	43972	1	32429	1	1	1	1	46555	51281	1	1	40364	34564	31205	60592	1	1	18498	24834	1	1	63354	59685	35455	36639	1	1	1	1	32856	40916	35803	41145	36432	40484	1	1	1	1	54130	55815	222909	148029	118656	91802	53137	46238	35389	31245	45585	57614	49569	17995	68321	54982	68162	71442	78305	88603	51551	36440	66259	91012	56552	49802	72778	67307	1	1	98758	99141	54181	44865	88299	69982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
513.8139@0.85401636	90674	90036	106480	98519	75821	81659	96117	96449	89164	93301	85369	78195	89991	86899	78651	68775	96455	106183	81103	80759	70248	74786	94681	102568	78696	87439	84292	83338	96903	104544	95812	104275	107093	110832	106969	102426	109312	113306	90920	90703	102866	104578	94149	101037	77050	87279	88042	89612	91588	101867	54952	59033	94988	91192	124872	122685	112154	110250	101957	94904	100412	98255	136451	136267	102194	109546	108085	114518	87314	86216	156690	164225	61806	66345	96140	102426	101858	113090	90051	82990	114088	100254	120340	125007	82853	77973	126331	131173	134824	148245	138622	138843	75183	70500	148913	153989	134205	134912	92022	85422	120499	125976	90471	88325	101319	87471	95005	94513	88024	93947	89447	99579	106185	105923	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1296.6982@0.90599936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19666	15389	18229	17522	30715	26545	21041	18640	17285	16631	20698	20582	88697	95947	23933	26461	27693	23669	23434	9802	8565	7740	54093	53292	36433	37599	19440	19322	116741	116953	77030	79144	77740	75310	21935	25507	68251	69049	50150	50335	29988	30109	26506	27532	6714	7194	6458	7548	21307	19204	26317	26874	28134	25103	6844	9402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H27 O20 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	179173	140925	172929	145115	125587	119234	148705	147310	131630	112455	108864	130710	118099	107110	56126	43633	44334	41382	53438	37215	44821	49852	1	35439	42749	39192	40700	47591	50509	32031	64976	34019	61686	44511	58627	67417	38160	55550	43210	43281	38494	47005	53363	24826	56402	62159	82092	46816	53484	51514	40507	54093	33470	52995	1	60733	43256	21017	16116	22548	17158	21535	23250	1	22555	21458	21980	19746	42529	19915	20459	34504	21463	20356	1	1	30744	17774	18948	19224	21240	24490	21961	1	33332	19729	34257	19802	18171	20439	20675	21025	16987	18657	21622	18181	1	19553	34760	23931	20358	20456	35852	35857	39540	22747	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0282@1.2579998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	111991	78201	69794	80447	109536	103670	71386	72624	84728	97490	67719	72339	250341	266263	74540	66220	115964	119099	104700	119242	79978	96447	160177	134135	114140	120050	96690	96015	1	211265	95544	181694	244742	224212	69000	79657	1	1	129921	210339	86348	92203	188582	99720	120056	119585	113420	115624	94634	90362	86434	106259	91143	100971	178677	163443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
94.053@13.402005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41423	20953	275219	16887	22863	50079	35404	32557	27101	36055	44480	210899	47107	157482	1	1	1	21132	1	123374	1	1	1	1	1	1	1	1	1	1	25543	34152	1	1	173660	37250	10694	1	135258	21290	78182	1	22917	126238	21675	1	185474	110857	1	156842	15760	1	146286	1	21473	22916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 11.400002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	124035	106574	214938	195940	218515	227571	165371	142763	167106	168659	233196	122738	214618	225156	57415	132114	58974	101945	131813	82655	120968	65856	176569	79207	75663	58679	142334	102556	185665	92290	109551	98065	59753	66120	90746	208294	65846	90537	68650	74842	161965	115596	139604	72101	60806	127481	86422	69792	122950	124336	112698	95837	154142	104779	158332	438253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
329.0003@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12455	10240	14536	14446	52750	53228	6420	6629	10390	10181	18132	17901	99148	98577	16326	12790	11814	14837	7240	1	1	9526	49627	56277	46420	55152	19763	21465	117966	116320	92974	103420	133623	130225	35544	50809	142568	139438	117298	120963	13863	13690	83710	84667	18099	18644	25440	29417	15674	16986	24993	23905	22527	17782	34155	26557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Aspartic Acid	785752	794712	635520	632478	405981	418171	733775	739759	611467	582005	535175	542888	441685	424144	540156	534677	625016	625559	515937	507671	641814	658460	754610	747246	566544	568438	908428	912955	931951	971088	97711	96065	51077	57601	21997	23986	27769	28131	138601	138042	45800	52110	14695	11933	79445	80883	97875	93137	13306	13801	40875	39872	167016	161641	1	1	72712	73616	55040	53607	65528	66037	51999	55611	51415	49628	23313	18119	53990	52141	72894	70556	101131	99290	34426	34720	55169	34303	14157	12597	56439	59090	63533	65599	41843	48670	114771	120072	77405	79760	86163	90320	78887	84033	86348	94656	77737	91278	49895	47424	66858	68469	74892	71814	24372	23293	47205	44832	132022	127208	71653	69505	32759	29054	196946	199817	238128	243032	123793	114826	165155	174966	145396	139990	275541	273704	270082	264062	283755	284586	224590	236456	434672	429704	255604	252489	206066	214995	243428	253345	288083	280666	341287	351170	135539	132909	260776	265977	107438	102902	182019	174487	156102	142583	425499	407004	133245	131299	258507	261539	153984	144008	181541	189612	316322	311683	239303	250739	284318	283058	150259	148607	227371	224588	232495	241053	338358	332507	512563	508365	352981	331347	318583	300156	497719	492844	222772	232616	250620	244517	651999	638275	221066	221911	385694	385983	251111	254104	387178	403713	420413	410908	119801	126666	368098	365269	815637	800731	466335	462455
421.8933@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70928	73698	73573	70329	47772	47668	81068	78564	75704	87107	70768	74353	45361	50945	59470	64625	86696	89670	76802	52373	44789	49808	47447	35603	49684	45337	60655	66810	50887	47375	48712	49439	48169	42894	38209	46638	53631	50114	55685	55541	87096	82659	64118	57156	66678	71723	67862	66032	83321	84043	63390	70285	79457	69205	64340	58670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
128.0084@1.2985722	44366	54973	64077	75225	60465	63124	75396	59919	71333	61157	66149	53535	56627	70904	87534	68625	63731	50167	72342	71801	45455	52182	81830	94252	91812	75847	70992	67166	76344	79523	100338	106556	117724	86357	101834	99707	92451	74413	59907	67269	85635	100434	136489	82348	79167	116334	52498	71200	113610	74700	123334	76029	112058	126966	81216	72693	115490	122633	112584	74588	68823	92638	85160	76820	106716	71706	88999	66087	64813	57094	74181	73604	59983	95512	124750	62502	73334	99725	52707	94658	51466	71098	79838	78018	76987	46571	70843	68620	67966	77427	71340	62499	75269	72364	76907	74000	81823	72889	39429	112216	78724	94787	73332	90689	90021	62385	57579	74536	87002	45015	94562	73118	67677	86703	107555	82093	116509	96945	107910	151789	91850	78099	70476	89782	73132	100971	83067	111859	63341	88142	76995	107226	92209	69075	106765	63813	65916	57197	96176	109730	51379	86542	139651	50916	89006	109467	111738	114229	95852	56805	73162	106344	90859	66152	119402	109393	93072	62496	77490	103858	59535	52362	174421	57854	64955	51325	52724	55520	91611	81046	60745	80137	70336	111192	103853	46552	76439	85741	49796	52107	60385	45040	51515	65322	101670	97738	57798	24839	68684	87290	97839	84698	82026	58479	60139	52302	60845	75389	69837	70414	86668	61121	82673	72184	83108	89064	66371	84875	96383	84298
242.0403@1.3041867	15111	18017	13375	17067	23913	21192	11162	12841	14587	15179	20256	20805	13997	14720	17043	15957	14512	12987	14257	12507	14681	19716	14734	14510	22692	24293	20548	21090	11813	11110	56368	54694	58454	57560	58006	62700	57219	56650	56815	51908	50552	58638	57752	55005	65816	63592	59648	59000	69392	74029	88024	86372	65932	67074	83837	83530	74742	69299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6738	1	1	1	363355	620879	621972	630670	450899	381358	396322	363031	430800	392635	150159	125532	127234	114556	97727	84779	99357	108808	38914	28266	30661	23441	36382	35139	22609	27098	53585	66220	73521	82394	118336	124663	113099	129224	138112	134951	111880	141825	13852	16024	16295	13728	12515	15340	12800	12811	15480	18204	13991	13843	15611	13443	10607	11178	13575	13521	13731	14266	15101	14872	13230	14587	17649	14962	17110	17785	15879	17663	14892	15646	14715	15834	18439	17041	14614	12512	19517	16276	11632	12829	15286	17069	11929	12909	10527	12688	19155	15401	99314	90677	98105	89655	85487	95278	10523	104754	72971	47614	97709	95276	58653	87849	50727	9880	57176	59342	9886	11970	65871	79572	75853	80060	52908	58073	43529	68952	76579	55892	58382	58754	50632	59742	83387	56957	88202	63260	87730	53930	16016	10177	54418	51235	50975	55706
C11 H15 N5 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42222	43758	96770	98820	139415	139436	41500	43886	80673	25383	123083	123530	411929	428472	13281	11692	75207	74434	14368	19872	85713	89241	329548	386575	152103	172058	94634	94758	162310	167506	82263	79228	204673	217196	194411	119353	281209	286379	176917	175923	41072	41058	87814	97311	99588	105749	114467	120912	77458	73018	46998	46836	30557	30879	195485	149516	356086	340260	288518	292959	266570	265219	377285	373144	125202	133501	339577	347479	170651	162146	223635	169934	641451	654738	404468	395863	236216	245189	389628	375538	346279	357646	153856	201370	346752	323869	184963	235034	290199	292672	170514	172136	109296	106330	171509	212791	134154	178353	318458	331458	509411	509167	196906	263607	302155	284300	36781	30652	118228	124211	109629	114692	113829	31623	133274	134712	109332	101261	183989	180264	144932	87267	188217	170622	73918	118549	198406	216372	227028	223097	115894	149120	236155	214932	217630	212833	122863	65865	184620	201596	66925	60804	202527	210113	131528	126709	184386	185315	241574	231401	195343	201652
C26 H31 O8	14440	15330	13838	13935	11759	10767	9366	7406	8963	8644	7530	7439	8839	7573	1	1	1	7446	6965	1	8773	9943	7529	9188	10640	11446	10621	10343	10873	11636	8949	9512	10705	10675	9380	9484	10596	9272	11317	10361	10724	9798	9425	10712	7720	9707	11394	10958	11530	11236	1	7552	11419	11880	11046	11999	10445	10034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12240	14788	17812	18205	16869	17183	27144	26327	21781	20331	19553	17341	19275	18125	14255	14064	16695	17223	17092	17357	9721	11317	22879	19900	21202	19818	25665	27616	12441	14275	12225	12543	14918	12466	12953	13081	11499	13899	12896	13306	107264	13957	18571	17784	15162	17436	26111	27784	18529	18439	16893	17673	15297	17605	18686	21439	18341	16434	18803	17687	18887	17167	20866	20383	27635	29006	17033	17345	18653	18901	17829	17386	17900	18662	19175	20671	19643	17892	19366	16972	17842	17811	27063	29166	19493	19671	25412	25162	18515	18950	18991	18891	18786	17916	18787	21203	25925	25703	17538	17495	16039	17108	18747	15918	25445	28506	17891	16085	18054	17034	16988	15528	14661	16285	14617	14091	13889	13646	14415	13084	14874	14282	16206	13975	13737	13942	16592	16711	12766	12633	35795	37591	13581	14009	13113	12745	13945	12122
348.1166@1.074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13737	13374	1	1	1	1	1	1	44073	41553	1	1	1	1	1	1	1	1	22970	17941	6358	6047	1	1	110717	109408	34822	41437	85645	79079	1	1	110854	110556	11360	12161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Sulfinoalanine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	229729	227447	250605	255770	455641	455733	140410	140796	230842	245780	486863	489621	701436	721033	127462	119981	195138	191701	133569	155435	209532	207957	721923	666134	605301	578562	516363	491805	561865	525902	457539	472666	656879	647529	230513	221341	539387	515368	99107	592723	155887	144423	111404	429984	185932	182367	271711	252641	317830	327832	59703	257767	226090	219444	43885	267945	43901	40095	32822	29893	51261	47584	40711	43495	26946	26622	65987	65391	47168	45141	62322	61222	63855	57212	57951	63804	56153	56657	31044	31923	82923	85335	114971	103118	104640	91083	32076	34185	48383	53169	36462	38260	42536	46068	67866	53061	63584	49667	39276	34917	97065	90591	81621	78946	37916	40215	1	1	1	1	26153	22911	19835	18839	10517	9601	1	1	1	1	1	1	1	1	1	1	21071	10784	44350	40486	1	1	39394	22952	11530	13780	1	1	11559	1	1	1	41960	10598	22252	21862	10352	8039	11015	11499	14132	1
394.8922@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42945	45143	41450	35176	70974	70650	43585	41931	37882	40484	28489	33023	71178	68342	16451	30595	32678	29915	44505	44007	45230	43871	50986	50706	52674	57591	30103	34615	78678	81564	70338	74646	79426	82716	45866	51883	85673	88556	78835	68432	26280	29073	70290	62958	49626	28481	36912	29001	28966	26159	31524	29537	30635	30717	46708	50007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PI(20:4(5Z,8Z,11Z,14Z)/0:0)	34901	31596	12757	17108	14555	15734	14320	13423	30745	25834	18460	18010	37437	22132	38709	27688	96905	23106	33491	20899	25749	32511	18620	18021	30916	20533	20963	20082	18277	15813	6767	8647	12976	12737	21212	22025	16895	17933	72295	62259	40496	36210	7913	8535	7090	1	72405	59374	1	1	14022	10302	83067	65308	1	1	23701	25613	15845	16971	10925	7810	19938	16991	8859	7518	8480	8338	1	1	23467	18170	13106	11887	1	1	8310	10127	14994	15478	131145	54866	27564	19791	6976	1	19971	16311	22313	24814	31216	25113	10028	8437	27945	20350	32904	24361	9415	11432	27996	25908	16416	17342	31215	13514	1	1	23258	17666	19689	18554	16756	12654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8548	1	1	1	1	1	1	1	1	18669	19846	12862	12006	1	1	1	1	8285	1	24654	17742	1	1	15179	13844	21812	16862	9432	10832	16256	14326	1	1	10737	10162	19026	17387	8167	6748	13483	14339	15392	9187	14912	15110	33530	11242	1	1	18617	15327	42488	54056	12907	10968
626.1302@1.5629998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25926	22789	9895	10760	22273	23692	1	1	1	1	1	1	71990	78535	16272	12649	1	1	11868	12106	1	1	34249	15465	98546	101851	1	1	111110	106047	27799	29249	32594	30172	1	1	48925	48785	112485	122434	1	1	37219	36453	11135	9768	14313	14544	1	1	69743	65694	40606	41310	12385	19527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
639.7381@0.87396735	83198	85900	64484	66065	76322	84268	78266	62914	90269	89008	70861	71847	83629	79041	39597	48894	92044	91447	78384	71525	69211	66721	52623	52432	81298	92093	71109	70192	48156	53223	90409	88323	116942	129534	101111	104554	100408	109097	82874	72412	108614	94900	73517	71834	53844	47480	62155	67184	79197	74853	38583	41184	77960	77142	128600	122727	126656	123502	113101	115174	92678	96676	94658	85054	114826	121719	126504	132969	97499	94743	73878	86104	66780	74677	141015	139678	134462	129849	85025	85016	59038	53723	85325	94840	85161	87453	86708	79423	63028	77344	85675	79127	55554	51043	78319	76349	88731	82554	110809	123415	88902	93403	100565	113867	119203	123087	140490	139859	77731	90861	120859	127271	143454	146410	11157	9047	11967	12103	11735	13591	14318	15341	1	8991	11825	11156	13320	12845	12191	12917	11525	10662	12457	11194	14332	11475	13063	10147	9637	11616	16710	13447	10130	12524	15272	13572	12337	10462	11452	8778	13246	16289	7058	11764	10565	11473	10650	9512	14213	16340	11986	14339	11603	8466	1	1	1	1	1	1	6674	6964	7758	6727	6536	1	8207	8041	1	1	1	6590	1	1	10596	9591	12161	12238	7215	1	10112	7777	12857	12035	1	1	7446	1	7058	1	7738	1	1	1	7971	8704	8197	9830	6943	9376
263.8731@0.85749185	37121	46051	74169	65765	45435	40820	73662	82477	71402	75642	57422	57871	55864	46049	52533	30891	51236	73114	45127	43750	33341	35830	77774	72024	58565	57221	40469	44069	45801	69353	29091	23202	20934	36867	23875	27651	34779	28852	23894	32246	24680	35305	22925	26076	29439	31333	32161	29664	23989	18960	9750	10382	33495	16512	21682	20416	19991	32635	53761	52923	50704	56792	66614	73327	45104	45660	53892	37955	45704	33661	75536	85859	25789	21916	27326	38703	32516	54475	64191	84499	96708	64559	92982	91558	41299	32163	99358	64873	80427	80302	88898	70456	87859	38564	69737	86473	78584	64044	43507	48102	64755	82299	52423	49243	62752	49269	42989	42865	51519	50559	53265	43842	54163	52176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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270.1464@8.094117	24809	31480	13851	23681	16239	17967	11335	17046	16949	13968	15590	15413	13891	14424	20880	9961	16031	10840	15652	22130	22060	23488	15849	10543	16589	14171	15480	61853	21005	23046	11611	1	48473	10797	10045	21848	10088	12403	15384	45719	1	15172	15647	14829	14384	14103	9781	8453	1	1	1	1	15273	1	40243	10711	14545	14371	1	17041	29946	34319	14939	19362	28351	19387	14826	12141	1	1	29460	25454	27575	29765	18712	13411	36621	37005	37040	45410	54469	39316	45708	43589	18672	18828	99539	112711	87529	84372	17648	24915	15467	16946	130429	118873	66522	63516	96574	93750	75063	76721	45468	47466	25640	26319	1	1	59168	64374	40934	40367	36673	74820	13421	16471	18516	10372	1	10006	10188	15671	1	9087	1	1	13116	14973	1	12353	12582	14599	17323	17821	9164	1	39245	42014	15114	15538	36640	35170	14910	20834	39979	40428	50520	55945	59933	62265	25311	26055	35356	31711	17826	11039	9256	15858	10590	9475	18533	25709	34518	34612	10612	13215	1	1	1	11568	22312	16085	13365	11227	18261	15778	19066	13374	20956	12764	14234	14529	17752	19341	18511	19127	16754	19591	17652	14672	14550	14932	15829	17963	19991	20957	13378	18071	20382	20570	23221	19847	15852	19756	22566	12888	18486	23309	16198	19623
152.048@3.8309996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19044	11389	1	1	1	1	1	1	22570	22719	10158	1	18648	28393	27749	24824	32220	22792	25000	33918	39899	72387	1	28063	28943	31234	20469	26104	14880	18301	1	1	19177	18582	46835	59057	34668	29181	56183	44984	1	25884	33753	12871	23318	28221	31297	82522	30125	34735	20749	41128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
553.2812@11.21489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11452	9328	11812	14029	14127	1	6921	1	19164	16000	34757	25549	11587	1	1	1	10391	10302	1	1	12067	9681	140471	41586	11981	1	16665	16625	1	1	1	1	15771	10752	1	1	20190	1	11598	1	16191	11889	14797	8046	6987	1	42293	1	1	1	15010	9766	6488	8357	13387	7776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11852	12905	7755	8243	1	1	1	1	1	1	1	1	10083	10308	1	1	1	1	1	1	1	1	24921	25952	22575	18352	1	1	1	1	14062	8521	94649	76745	1	1	15976	17269	18825	12794	12793	9967	11847	6787	1	1	11104	9285	8849	7109	9165	1	11025	9010	13971	1	12890	13969	49751	1	1	1	14896	9307	35141	60730	8700	1
Fumaric acid nullnullnull 1.1609995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69231	67397	104453	53010	223830	232915	918761	919596	37441	41772	119787	98120	193008	316427	34590	39154	105963	106281	933534	926494	795395	834532	247356	236298	658079	666099	793264	784000	227658	197791	266746	307579	106314	245322	28173	80179	113121	291070	544548	558123	487788	466946	662956	651661	279568	276429	278372	287442	70004	77492	100350	108169	75162	73237	93895	70210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.0246@0.9330584	87115	88879	80711	79784	74975	74110	70808	74895	87029	84291	82942	84086	81550	85175	72024	72300	79590	82600	79021	80388	75280	72771	68781	66783	72575	72109	68696	70400	68999	73651	58946	54662	56214	59964	60854	57813	57073	53688	61497	61963	60950	57839	51511	52159	47695	49081	52520	54748	40878	46549	38501	36809	67127	65519	49748	53832	64749	70497	75451	65543	64636	62216	81916	79357	68016	69937	68598	71690	66929	64068	79916	83937	56506	58158	70707	73603	67235	74316	63983	70563	62207	63286	71633	72707	63396	60246	67582	67383	77697	77208	77738	73927	51966	55578	80730	77693	83019	83654	71389	71436	82257	83277	69605	73772	72940	75529	66401	63989	60483	66445	72234	70534	85092	83360	73572	75590	70034	68505	72559	67155	82623	80709	65018	59555	72874	70129	77239	78186	67409	67193	78409	69908	78571	79658	78058	75068	68251	75046	73363	80706	80397	78839	69265	69681	73105	73518	73134	65741	76321	74821	79126	77864	73137	71880	70532	69501	63442	60592	82198	84350	70759	70993	61403	62657	60483	58264	66386	75002	65241	69504	57279	60499	71363	76496	67323	68803	79805	74066	65327	64929	66637	68106	53180	54126	79851	83221	74079	81309	74508	73272	74684	74672	81640	81391	65888	71506	77883	76163	60181	63048	76004	74174	45126	47328	75061	76630	74021	74380	68771	65675
436.9772@0.89099985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21796	21530	23626	20767	70243	68984	14430	13646	13581	15644	9382	9116	84589	82983	9213	12033	1	9686	14134	11347	19375	18652	61220	57805	45923	46471	1	9250	93547	105892	81771	82940	70551	73800	20273	23202	78461	85777	65180	68511	15004	16551	58915	61442	22648	27600	21753	24642	1	1	20718	21998	21746	20638	23389	26996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
981.0211@3.0120008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25123	29274	34671	31471	31363	34435	59944	50677	39711	67166	44244	89111	58966	50490	1	18707	10054	21070	1	23402	1	20312	17455	25838	255346	18755	16865	21528	21927	24842	25670	13588	22599	28717	1	1	1	1	73830	1	8514	1	27889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20822	17675	27475	29548	117320	122856	79530	77138	15863	12835	20589	21488	136801	137198	12372	1	55387	58298	96660	106362	97260	114158	117738	117381	168591	173557	119803	129589	167399	168308	139526	145000	146019	148870	1	21756	114503	118147	173537	177336	97504	95755	196021	191343	52927	58692	44976	41520	27518	26463	29013	24983	22526	9505	49122	39886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
345.8421@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	114268	128332	116489	123645	212646	219495	108618	108571	115820	114861	85801	81696	240369	247072	61790	66890	92757	93922	120801	114866	135992	125788	218422	197923	176725	182902	90691	76961	211676	211633	178187	186565	202327	182904	99932	96451	209211	215732	194158	187808	95854	91513	179014	163577	122473	119768	121132	123115	78379	75304	103867	119477	112914	108487	128328	139451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
135.9515@0.8707225	197336	194328	194797	204640	169992	182110	209907	205785	194726	199221	164119	167338	179448	178542	185302	181127	212486	202768	186862	182771	171715	175730	213237	210951	183587	184272	193512	197010	221021	216557	117976	106341	109492	107411	119184	111544	113519	111159	107436	105300	113399	116281	114462	120844	113277	112316	113353	120654	129244	119479	115326	114130	112261	126382	118180	121801	109018	108019	169832	172336	150246	159696	227776	231819	141384	139704	153165	145793	130837	137996	336614	319668	147014	141596	137939	124716	129844	104125	126651	138382	221647	217531	194364	212374	116836	121175	288512	290419	243188	252271	249233	251865	126906	141521	269348	266961	232264	231686	142554	142052	206440	203938	167139	170938	157969	158773	123696	115212	164639	164465	151409	144080	168475	168632	118028	112141	108544	108315	103248	103529	106505	108536	112283	117138	125673	125358	114654	118753	126189	128045	113325	120205	126181	123220	115121	124239	115859	114919	121380	117171	115147	121749	127413	126036	111417	110043	119437	124453	105529	105200	116669	108182	111805	111665	123265	119449	111680	114621	107333	107312	123110	121777	106615	109972	102358	99933	123798	119083	128670	126413	121240	117558	138717	137940	127307	127354	114685	112742	132545	119198	117325	114168	125218	120500	115509	114607	137042	145416	119017	119376	122722	115945	131050	125647	119964	130082	130139	127666	133170	120110	116507	107216	97340	101624	122247	123268	104718	112086	127504	128679
C11 H5 Cl3 N3 O3 S3	52143	49651	41194	43999	68751	64655	41758	43276	60363	61526	72281	72426	52578	53514	31528	29365	53337	49745	48417	47187	62377	61378	28646	26171	61909	65207	52023	53890	32809	37089	105264	94991	110089	114767	122603	117912	126008	120826	85084	79158	118704	115059	97090	93445	51201	47846	72853	75084	103352	101465	59824	62004	82332	75679	149137	151456	109115	106347	108955	106996	81144	80501	101934	108227	102430	100907	105842	113678	83782	79871	87434	91169	95645	87660	113328	107183	110367	71666	50999	57746	47869	56455	69173	79767	65401	62696	78763	82262	84730	83005	97580	90107	81603	81813	107887	109048	101420	108237	97832	97838	105624	106289	97463	91668	100250	93061	96426	99728	85263	78084	96534	95086	119125	109563	94684	94251	109798	107981	116590	120508	116197	111990	120175	122930	115484	112231	97260	96347	74985	74570	104435	105453	80012	72590	67462	72656	112193	108664	84101	88920	114783	123341	97988	96010	126900	131123	103580	102325	122549	118868	119253	114782	107540	104846	60875	61390	106687	108749	90283	96298	80166	78053	77155	81848	60000	55401	93182	87839	82180	91901	126203	112564	73275	76309	121005	118161	73660	68658	88632	94756	95935	94427	98052	95964	72961	72490	69630	71727	115739	113188	62605	61822	95735	95261	87081	91264	92695	83459	93854	94003	78466	78834	59022	58910	81626	88607	58448	56293	69480	68724
Phenylalanine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70464	61509	43230	44530	213458	212539	48898	46643	31715	38391	43009	51533	197510	197977	101961	71069	102222	114986	88173	90990	232428	267066	332401	348551	266698	225572	84150	74859	501602	532158	451629	457510	330307	336391	117207	125723	708253	706261	480466	496746	230412	226310	790204	746761	224080	217470	291386	301378	105608	101274	175460	181764	219277	219821	348866	309254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
303.883@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	94874	97333	93662	83797	146542	143406	83833	81960	87071	87586	73335	74120	167376	163785	72757	76680	76102	77010	82504	88321	91678	86590	108312	113222	101490	111527	69828	68862	217390	227403	191605	206442	192006	210654	130226	141475	230133	238295	173620	170969	81092	82721	157056	166565	104862	99066	95326	103979	68218	64168	97388	98539	90068	90728	125015	112908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.89842105	25846	25464	26711	24943	19645	19852	23463	21898	24223	22384	23384	24775	24284	26455	30715	30427	24088	23288	22977	25053	25067	26243	25733	26800	20502	23247	30619	31045	26195	31347	24386	23492	29881	29291	21033	21384	21095	23002	41613	39949	28710	28259	18803	20645	19871	19871	31762	32073	12426	14877	13990	14206	36074	38096	14087	13852	31142	31323	159017	156005	194951	192880	131187	136845	194603	190187	168172	168324	182116	184698	90221	97532	256302	257949	180499	180475	165450	144897	199441	214912	164316	183469	158758	165231	204806	208761	90121	91963	123945	127471	124732	121061	439627	342344	164428	157786	169484	172772	253015	262397	213868	203259	257318	259542	226171	241905	200966	203770	282173	275009	243971	241029	88296	159403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
255.9159@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76538	70423	69985	75295	77404	86939	69024	74486	84659	93226	65066	62395	77724	86477	41967	42417	69782	68760	90203	92584	79060	88202	82151	91960	90180	82592	62573	63750	93234	103732	77189	87975	97202	77080	89026	78104	79387	88636	75451	99149	54442	58585	68721	81636	59297	54544	68146	81735	64389	70519	53897	44636	60340	55036	76782	72265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
119.9363@0.8637986	169419	163118	180171	176096	168454	162786	170683	171911	178629	181964	177586	177297	181729	182142	153674	148365	172916	172118	162606	170372	152381	154647	162608	166930	169280	170968	168773	162810	169319	175228	177699	179275	190011	189124	181211	186623	182929	179939	172323	180628	182891	177519	174055	172427	171522	162616	175089	173457	166119	168322	123045	119420	184209	178709	199108	184589	188477	185231	54954	52070	55225	58547	90837	88657	48770	48483	48481	50723	45953	50432	121015	126682	42031	38021	42699	43038	44453	48344	64578	65370	112035	113752	95402	87666	50122	49043	135496	127022	99793	100372	106510	108344	64304	62835	98636	98300	87116	85395	51052	45011	76955	76229	55371	52984	55774	55538	43511	42080	54943	52399	50985	48229	61042	58424	26291	26385	23698	23216	22634	22741	27480	28638	21951	23651	30085	27188	27861	27630	28060	33765	26317	26368	30135	27763	29215	28579	27277	25003	27250	28577	28170	29383	25364	26344	24385	24326	24237	23815	24261	21860	29578	30439	28203	23633	26228	28219	25599	22057	32607	32134	26078	30014	24134	22465	20730	20075	17820	19975	17942	20726	15429	18543	27801	25228	19024	19947	22998	23530	20997	22254	21944	24277	17280	18552	30640	31897	41280	37958	20366	20530	32911	30183	34871	33588	20472	19978	33191	32927	19293	19448	29451	28673	18030	20668	27731	30169	34529	36704	27647	28480
464.9734@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32794	26895	23242	24355	74704	70588	11626	10090	17272	16363	33483	32474	112618	113991	29510	29364	22363	20849	14089	1	11589	1	68187	72288	59791	72179	30802	34146	141212	141915	118320	125827	145207	144272	51903	68101	158451	160661	135174	139665	20477	18534	106655	109025	37350	36358	42681	39443	29922	28688	49815	45193	33522	34120	58916	51394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
532.9601@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30844	31189	28842	29385	90111	93303	16089	17985	20534	21202	30306	32711	131942	125416	26912	28930	30689	27071	16084	9925	16353	13263	77610	77314	67333	76096	30714	31793	155009	155984	65412	142093	148785	154600	52069	70607	170563	174042	163896	153987	27460	26341	121908	119095	45269	43992	49520	48096	33888	31250	45994	47052	38137	38757	66508	51183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
451.8538@0.85938084	192994	184349	168937	166026	226438	214667	169752	162369	183232	187241	212622	205899	199958	204510	164062	166908	169350	184486	198745	198694	216299	215807	135955	136144	200184	211458	192503	200743	146379	152977	311377	317344	333800	337677	344094	346468	347585	352356	301007	300532	330552	323218	310549	309692	273470	275861	289372	289091	325479	319835	224930	222793	296980	297612	379429	372681	343894	357118	117052	112486	90333	95305	116154	112418	113083	113651	124046	133225	102715	89478	86864	88891	75320	76060	118561	123884	116363	103013	86128	74342	63040	66624	87574	79313	75770	79776	74919	64984	77794	66977	66533	93198	54892	54421	88315	79892	85936	91348	100843	96387	89455	82727	97061	94404	97921	108652	120574	104862	75758	81079	103282	104549	114699	106311	52613	50181	56104	55463	48268	50036	53920	56873	52720	54186	49516	53333	48175	54065	43715	45447	56411	51459	46787	49000	49221	44840	57310	59009	49726	52670	56006	54511	51481	49452	51778	60315	49677	47721	58024	55346	56556	56168	50493	55126	35032	36655	53192	50251	51800	50853	45979	47373	49438	47869	28236	25935	35316	32307	29836	33292	44665	41049	32895	33216	39449	38083	36382	38362	37840	35027	36492	36147	36871	37906	34153	33418	34309	37429	40674	42075	31411	35331	42455	41483	35449	34187	36315	36722	36057	34950	34937	35580	32270	34299	36064	35911	33880	31858	30838	32869
> limit nullnullnull 0.8349462	31733	28339	27102	24847	53038	55718	23943	22692	30234	31980	50858	50306	41093	44250	38650	38852	26470	27811	34411	34128	63394	59609	19270	16920	43058	41526	38782	39205	21045	22251	170104	177644	172446	179393	192050	194572	188209	191968	168570	161147	177430	188422	200880	204445	195519	186096	168450	178390	218055	216509	214522	212221	177937	173629	239823	235820	176500	178665	25985	30348	29606	28432	11410	9079	42791	39741	37569	38596	37033	43279	1	10334	62933	65233	82452	81472	46230	13928	1	9381	1	1	1	11035	32469	35994	1	8604	1	1	12108	1	19583	19733	14717	15830	16046	12828	79519	77491	18435	18867	47725	45580	48684	47045	105638	102651	48640	48713	60359	58334	60967	49788	106357	107291	114984	109709	89544	97684	101895	103194	125109	131077	102727	103183	107938	109563	97497	97516	104931	103012	93648	93479	98724	96059	97422	105086	95259	96367	101988	93547	101782	99165	109808	116665	110670	112324	127204	127529	103664	103033	116270	112580	77279	78117	128061	124635	71322	72567	102058	89939	109588	119526	111534	111222	120451	125872	103333	104994	164083	162001	68811	71637	119490	119567	119638	125963	138034	133498	113397	116951	158666	161164	82679	83627	48450	51894	128875	127889	70551	72675	62861	66342	139524	137578	62525	66346	134165	134039	86276	82775	174964	175970	92325	91279	65928	62338	80347	83704
405.8923@0.85842735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89188	85821	87735	99247	136341	136892	83971	90155	84904	83395	63955	56270	130917	123157	51790	57432	66445	62831	81276	76417	98760	94642	124383	125670	114228	128719	60289	53119	120746	119965	117030	136232	139666	119910	84145	94924	147575	157219	128643	147458	80738	78751	133964	132590	93916	95516	99539	95195	50775	53017	89483	98515	85620	87457	112170	112548	21426	21485	23556	26590	27063	27332	24867	23555	24872	26106	25937	25866	24141	26776	27643	29682	26307	23679	26351	24536	23311	18493	22156	23731	29432	28934	22465	23456	25499	26673	27122	25825	24531	26032	25419	27194	28652	26387	23723	21481	22006	22028	23873	25529	30381	23820	26018	26407	24402	26600	12052	8376	11846	12559	9545	7768	17615	18679	7930	8227	13488	11748	14810	14801	13358	11118	8526	11305	13787	14188	1	8606	6462	8001	10871	5742	1	1	8105	6808	12954	12806	1	1	13032	11891	7318	8773	20274	20368	9131	1	1	8785	6596	6575
C10 H13 N8 O4	113835	110600	87825	86005	63500	55224	81258	76886	71098	76467	56945	56600	68005	73736	59550	66408	99433	99529	67196	61820	86977	83088	82076	83271	64287	65205	78498	80262	117951	123577	17172	17728	16022	16441	9729	11968	8474	7196	22501	22922	16064	14715	8263	7294	19121	21325	20352	19295	1	1	1	1	19842	19854	1	1	17304	15983	218023	219728	141436	144702	241881	234121	88190	86185	117536	119300	60253	56989	57682	57547	124225	126651	138021	133103	106141	102583	128147	135000	49136	50770	187241	187358	75202	72357	77833	74845	275106	275854	46213	47267	65522	69181	191385	47569	205195	201054	197056	200079	300525	293867	101213	106930	127376	127819	55682	57370	257298	262492	211901	210364	183737	154520	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
239.0309@0.8449998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7321	7247	1	1	35252	33171	1	1	1	1	1	6961	86924	88673	1	1	1	1	1	1	1	1	43815	48173	30088	34235	6999	7325	116509	117423	73319	67767	97237	96094	15131	19977	88567	94083	56650	60189	1	1	37264	37877	1	1	9690	7173	1	1	10433	7783	7217	6286	10113	9262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H2 N S2	4342	40059	100878	1	11183	71093	8881	6492	30031	1	9400	61875	7342	7850	21734	37652	23314	14515	43525	19262	1	9241	54772	1	1	1	122779	28499	7311	9653	52919	132273	157010	24047	182531	1	147522	162158	36104	33418	126306	145524	151255	28816	17409	1	43056	87800	51904	141487	170295	87094	125149	137748	111003	48544	20700	43792	51418	50460	33911	34965	1	59391	28801	21611	9133	27539	22080	23263	1	1	61860	179160	68190	98609	53230	36405	52033	1	59565	45597	1	6464	44272	133897	42260	42761	1	40738	39966	41509	101376	45376	45445	1	62112	1	70851	52496	42052	33778	64782	49184	38634	107086	54404	59492	53625	115031	41304	1	54013	61926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
261.8812@0.85823566	79616	70307	73254	76213	60842	69474	79461	76778	83052	75398	67180	65261	68941	73302	59670	62136	85147	81739	73759	71468	59182	56730	77392	72439	67284	67805	71442	70343	78102	76510	31477	35018	32794	32935	32719	27368	32491	31667	36448	32692	34617	33154	24734	27586	27345	28929	33442	35064	25091	22656	15257	16059	34113	37454	25659	29929	39460	36061	68230	68236	72445	66588	82196	82995	57726	61865	65513	64954	57328	58724	105353	112528	40673	36851	46527	48755	59576	67338	73814	76118	83976	81795	80429	75800	58411	57055	84897	93040	74925	78511	74920	78558	53687	42865	79118	84349	85028	83548	58190	57165	72800	66139	57880	68009	61779	61081	50152	51307	56790	57980	63365	53165	58650	61751	9590	13677	13107	9296	10983	12549	13990	13867	1	9685	13093	12990	12538	9037	12382	12470	13527	9149	15594	15823	13735	15641	13818	15076	12982	13998	15488	17315	11901	13484	11164	9965	12673	11131	10927	11649	15211	11313	11036	9534	13302	14125	8878	6542	18261	16384	12443	14962	9797	9493	7502	7649	6459	1	8153	7809	7026	1	16331	14823	10369	8275	11877	11820	7905	10139	8754	11201	8118	5934	10993	12923	19774	22022	8983	9609	12229	13178	17347	18409	11074	8294	15717	17015	9661	8664	11069	11732	1	1	11623	12565	13936	13609	14416	13042
C22 H4 N2 O10 S3	89970	89650	92778	91474	83746	80613	88936	91059	90833	92792	83940	80837	84203	91020	89778	84334	87843	90706	85543	87133	76628	76577	91223	96816	98022	96259	97226	94299	95190	99506	37683	33708	37250	36071	33441	29673	34546	31940	46817	41956	38469	37048	31458	32500	35762	34304	38832	44764	21342	22176	43604	41651	53672	51181	22680	23225	47687	54608	74344	78634	82638	83115	121439	117144	68185	60461	65742	66352	52346	51769	84193	92549	107050	98606	80539	81854	71899	38780	49017	50645	81882	84233	88042	96545	47734	52056	74870	76581	94001	97717	102737	96185	70296	121700	122852	125427	135463	135829	104681	106049	142629	139979	123231	122777	120964	121533	68168	67849	116634	113298	111481	110047	179027	135682	31167	32697	33242	30407	40263	39938	34828	33125	21334	24150	33505	34667	32508	34565	38982	33796	32906	34447	36180	37684	32747	34166	34819	33772	40791	34260	40749	37112	35176	34186	28278	30400	31703	31916	25722	26499	32602	37176	29682	27897	42412	43870	22072	23708	50205	49906	38686	36905	24346	23730	51206	46690	45964	46047	49630	48736	30407	29458	68118	60518	48854	49587	44427	48859	51194	46494	55907	55453	38224	40065	72317	69600	83173	80101	54446	53642	74993	72977	73324	76181	46687	44181	68781	75938	42448	48060	72303	68363	33432	33165	66857	66665	82896	83132	67854	70783
262.1555@8.5910015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33820	1	1	1	1	26791	1	73428	41486	42619	1	1	1	1	1	1	1	1	1	21160	47338	26944	1	22916	1	1	1	28759	24603	32567	1	25506	1	1	1	54939	63826	1	1	1	46240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.8673@0.85792965	51702	51860	48786	58763	44648	37518	54989	61074	57001	55907	43263	40366	45835	44679	44041	51005	61696	48220	50097	53811	37859	29516	58302	59622	45346	46136	45736	44905	52810	53812	14712	18520	16607	15847	17658	11687	12386	14522	17242	17303	18340	15432	12381	11326	14920	14720	15471	17750	9974	8612	11682	7396	21463	15619	10525	9666	18436	19434	92077	87696	92588	81498	116649	114618	80526	74942	72752	78087	57782	63040	85849	97385	64947	68414	71712	69332	91455	65717	78471	76268	95207	97505	103399	104060	63300	56782	70377	76515	88909	91375	91359	98813	92840	100746	114921	104676	117406	137058	83294	78833	125946	119998	104767	112675	102501	104699	61005	52691	97921	100211	90465	87173	129316	120168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-3-Hydroxybutyric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32395	54878	25348	33719	174228	173577	67527	48062	40868	48603	29651	1	108603	106044	42066	42350	40620	1	43479	43976	19115	40683	74878	17362	87881	125383	47352	48813	77496	455460	41743	291108	138641	31648	43597	77022	289752	286584	132232	183314	1	10448	251233	265793	97560	71440	1	1	35244	40980	67696	62088	105765	91721	1	61121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H16 N2 O17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91676	89228	42696	43198	85259	82611	42276	40478	29824	29906	25154	24725	130447	133636	44788	46185	40266	39244	50879	48083	38686	19027	83816	81431	114898	124169	1	1	109434	111125	100244	99694	65913	101758	1	25322	63965	66932	132741	134832	40130	38824	71156	70245	43137	43380	38708	39502	14196	13635	75076	75330	64737	63517	52848	46309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
539.8967@0.8378007	73198	76840	73462	76864	80786	75461	72512	69177	68148	81589	74713	77514	75750	70707	74275	76924	68609	74939	74264	72257	76607	74454	72470	69537	82058	85947	74970	84070	74002	77828	72769	62522	71156	73791	66607	67656	71456	66556	76350	76183	71762	69383	67445	65850	70621	65080	78118	67466	59749	68202	69438	70676	82145	82672	65218	70045	85008	79335	46798	47258	45474	42506	51928	47206	50078	44150	48506	43743	43450	43548	36307	38740	89147	92401	85851	78636	54483	22778	22837	24546	32417	36903	38475	45822	47497	52090	56265	47436	50476	57180	46205	44268	75149	85760	61466	57405	69433	69128	93032	88364	76842	75021	76300	89264	83197	80018	77264	71438	82417	82277	79441	86916	125280	97559	42432	46587	45783	44972	44817	51353	50048	43093	41150	34621	44770	42266	48153	43440	45736	46062	43034	42134	43811	46361	43569	45334	40870	41180	47419	40741	49049	49878	42250	45452	42573	41358	40452	42973	47089	42216	46727	44785	47756	44690	50654	50435	41714	42127	52479	52795	48342	44022	35741	41051	56428	52484	53756	52855	54164	51685	48799	49669	60193	59717	53724	58927	55671	53269	56874	57280	58221	62890	53604	53683	66002	67279	64674	59973	60338	56348	66297	67556	60757	66396	55551	52205	60151	64988	53611	56689	66496	63682	52082	53416	62465	66363	69623	68612	65942	66154
C21 Cl2 N3 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60413	49107	70496	80870	66536	60198	43901	39551	83946	86166	42646	29733	67507	45338	50153	77797	80404	36337	92804	58907	53237	78901	54595	34334	71428	73352	38572	64669	43556	47158	42583	61499	53900	43926	82450	51312	46606	52052	62260	54872	63081	38609	58184	73860	64820	46868	79924	101695	34666	36764	63981	84381	81508	92973	71181	62007	269163	270510	258183	264424	196016	196763	265746	257270	263806	268526	252561	255684	250567	256884	260454	255913	263069	265630	267355	259596	268534	266359	272002	266355	271596	254010	264614	261885	264199	273576	264797	265506	255620	249312	268161	268555	260114	260333	252580	265050	192692	189023	275235	269099	193779	187418	272822	269995	270984	262474	159073	160292	174914	170524	160267	157749	209206	202120	171383	177707	169452	164854	213867	222484	191918	183395	160996	165396	181258	181519	156194	156519	170338	179939	178185	165290	158522	158313	180708	180999	179651	180109	164862	155306	186517	186658	157929	154414	215745	216003	169437	164646	150276	157419	184618	177723
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13254	13818	17015	18711	23618	1	1	1	1	1	16721	17340	32489	21745	15243	12404	11149	14074	21427	39486	87846	44213	29106	99542	19003	14949	24234	24580	21981	19815	18088	15210	15259	21899	35085	30579	44838	40327	49008	22498	55304	20928	14228	22713	32592	25132	13104	16442	12891	45593	14306	21618	44376	43638	1	1	1	1	1	44120	30295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50516	1	1	31465	16033	1	1	1	27944	1	1	18839	49488	19511	28555	16829	15546	1	1	1	1	16564	38287	55773	39754	38713	35136	1	16315	1	1	1	1	51389	34862	53312	58758	11815	14643	24186	33589	1	7906	16917	25122	47271	20037	1	1	57692	14376	1	1	1	18724	1	31571	18900	43527
C11 H2 N3 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49190	22144	26780	26211	54393	54979	35610	33885	20542	18286	1	1	23528	70155	26106	24413	24346	25962	34711	33659	29567	29670	54447	60926	66909	74536	1	1	65756	66279	67651	67250	61245	66709	1	15325	55670	51910	90819	80377	33643	33958	65739	67324	30752	30350	27773	21861	11568	12300	38109	40000	34124	33106	33299	29547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
233.0202@0.9390187	59773	60447	57092	58087	81432	79903	49810	46009	71571	65382	81718	76063	68409	64174	47130	45388	74484	65620	59408	62051	72897	74367	33723	35711	81112	106331	68929	66861	45223	44341	124389	115743	104894	106843	104329	100481	124681	116958	75428	76448	117823	118541	112101	117956	110461	107350	91290	101007	136382	166820	169372	147310	101207	103688	165154	167828	118314	118966	99533	105545	109032	111653	111786	105431	115011	115646	121490	118254	124639	119021	93156	93121	136817	123023	132478	123630	114642	121173	122540	137143	70171	67141	103304	116841	133084	128383	64652	64665	78526	79851	93875	94772	176939	156084	128715	128660	134069	137990	168046	167704	150077	141082	163556	162955	162350	168496	182840	185517	132269	148340	158491	160534	173862	171349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
355.857@0.8592652	62582	52095	64331	58824	64103	63367	57381	60951	65104	60559	72781	61176	60619	71471	50338	50028	63562	67981	59745	64230	62545	61048	62570	48401	54740	61314	68792	57286	60315	54050	82442	87174	90851	91472	87154	88084	89907	92591	75910	76563	84696	84885	76742	73728	68198	63465	77331	70245	76027	80682	49449	49913	77080	74569	100284	93930	88448	92045	88744	90625	75762	80818	106085	126700	106602	98266	100007	106333	93477	81328	131905	165337	52169	58009	100570	102905	104817	132218	94431	96362	85525	54384	82601	106212	92945	89863	80202	103226	100414	92005	62945	103001	58724	55932	81075	61671	112869	104943	91446	94483	104222	54763	80713	76773	86869	82297	113863	116359	76954	76443	84363	87128	98681	95072	69765	68342	79715	79492	56014	58500	75720	74141	76163	82355	71474	73664	74877	72121	70966	67567	69752	74537	65493	64935	71589	65528	83966	78610	71059	73528	81462	82952	72279	71217	87233	88514	73685	77993	93495	87884	83758	84355	79477	79127	43292	46787	78496	81067	50301	49860	66549	66143	80434	76000	32228	31203	40061	39648	34074	34881	58869	62654	34184	34384	40251	42762	55082	55030	47136	45812	39457	41497	47042	48595	35865	36918	30369	34882	47508	44442	40199	33717	37259	40485	41158	42268	34885	33329	46118	46491	40275	35461	68844	69376	42486	40939	35462	32505	35163	36079
409.2261@11.63811	54282	60937	49447	51175	52175	51319	55841	58254	47825	54414	55790	54370	44076	69728	39793	52653	24169	51014	29838	48322	38048	37004	62941	70159	51548	57544	53631	51704	50607	54974	1	1	8947	1	1	1	1	7796	1	1	8530	8007	1	1	1	1	7864	6911	1	1	1	1	1	1	1	1	10475	9386	24993	24127	48937	38536	21309	21780	19183	20668	7456	1	27646	18845	47005	44327	17096	17536	25681	24577	18144	16020	53243	44241	61892	74954	121152	105383	46742	33315	40583	42080	68153	60587	66474	62383	14028	13900	81788	69827	121666	122882	44491	42437	79248	75624	59886	48933	67492	58664	18946	10416	36430	27854	50211	44751	38501	36037	1	1	15155	11511	9668	18063	20543	20816	1	1	17117	11126	1	1	1	45455	1	1	55271	27264	14505	18580	14889	13370	21500	1	37353	69302	18396	15034	15262	13881	1	1	1	1	14222	27386	1	1	23620	36222	1	1	21435	17633	1	1	1	1	1	1	1	1	1	1	1	1	21171	21193	1	1	23375	19502	1	1	1	1	1	1	15719	18201	13856	9415	15253	13492	1	1	11642	10706	16278	11280	17126	18489	1	1	1	10868	1	1	1	1	1	1	12931	12512
805.8121@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40222	43807	44031	45330	46874	52352	46869	45223	42395	49304	43498	42620	35610	40013	62577	67658	57097	58824	45437	26132	12737	16518	22147	29461	33982	40366	39726	41888	56275	55347	68300	72447	67265	64809	89608	103381	79382	91063	83813	83204	64464	63700	86614	86859	69486	76620	63966	69630	47112	45316	64145	67268	65957	63576	107500	75318	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PPPi	78380	66109	78308	80195	56861	60135	76236	75604	73470	73029	64501	59447	68961	65638	66762	58770	80726	72551	66236	82124	56841	50321	84015	84439	75216	96432	62412	64617	80280	82911	57208	52693	68837	71003	59256	68778	78013	53438	57666	53755	60113	64321	63574	45411	43524	45223	48373	53794	44203	44903	31118	26596	60822	58403	81062	60644	63826	79967	83668	82092	88266	82778	84346	86673	94989	93240	97459	95740	81559	78554	81769	77948	64513	56210	87830	80381	100487	123883	90592	90795	76671	72628	79995	77205	77818	82909	73487	64227	70735	72403	75276	70279	65144	54414	75833	70788	68648	78916	79029	86782	75893	72411	76364	71715	74912	73151	87706	87702	73098	69737	81149	80584	81759	83711	11383	9263	10105	9006	15922	14247	12453	11813	1	1	15092	11337	11996	11516	13627	16167	9284	9422	14489	11458	12069	13612	11603	12915	12068	10594	15517	15280	13001	10467	11610	10719	10633	9537	1	1	13960	12750	7422	10034	17408	17698	1	1	25358	21431	13258	12837	1	1	7385	6897	8814	7091	8188	8769	1	1	17942	17894	7276	10191	9835	9702	7980	7505	8945	13126	1	6730	19320	18636	25210	26363	8669	7686	21635	19903	24132	21352	6656	9489	22726	19079	1	8553	16594	20588	1	1	15671	19065	24457	22841	19811	16723
193.0021@0.9341906	18553	19723	15994	17916	16125	23299	18089	17916	19924	24069	20466	18128	19401	177543	161626	16988	249681	231389	201959	22126	19825	21295	17885	20686	24271	24422	19757	16563	15928	15557	106125	109999	124147	130060	115533	115365	97927	97815	1	106933	134444	149068	1	97892	1	101190	108708	1	47279	44157	41780	45525	132338	124646	53458	52037	208334	205246	70996	60382	62147	60467	100122	98138	422358	42785	52425	60561	32652	31983	91315	91680	303628	293121	51209	49598	58294	59014	59326	65319	86581	66835	79093	76275	34920	34771	81246	70529	88478	86811	86890	89437	45569	72653	94572	100302	84456	92060	67271	62727	91653	81238	89049	82645	80044	69880	44217	39088	71871	64863	83112	73654	88165	88081	164680	166500	152726	150698	255425	259286	191609	161020	96239	103000	229319	181062	182805	180883	181219	187522	175854	178379	160628	193918	182425	187607	194055	190471	177871	187211	206803	214421	146644	166764	170567	138855	156633	160056	150419	148807	200557	203294	142276	147114	273791	273274	104296	112823	378873	315321	199141	200395	123573	105739	66685	66808	61501	64235	80369	80988	52635	51986	131760	131844	69118	69920	77173	77497	58164	68455	68160	76567	30171	54951	138474	124813	217703	200652	68888	74809	147883	122223	149213	171982	53957	61104	176747	166154	57858	54247	137959	149890	46722	38912	123939	132012	149750	155775	157171	144247
451.8754@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	105351	107611	85940	90522	89660	89745	93330	101968	111493	119114	89884	79617	63923	65777	75988	71624	108666	114372	102516	88154	69156	73511	49141	47293	68063	63631	75750	69801	51803	46955	58950	48642	51458	67963	46862	49335	64692	64249	65473	68487	96080	90768	80970	75157	84751	85311	92207	90526	105019	103849	71882	74688	95787	94281	107685	103843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
179.9562@0.7918747	30027	25033	29242	27511	26931	24141	22723	25341	30845	35392	28430	30157	29520	31505	20147	18901	32535	34328	27664	28804	21414	25841	18411	18414	28626	29530	26467	25678	20946	21070	34909	31273	36392	35289	33981	34640	37040	35491	29436	31368	32314	36568	29552	29754	22098	23266	23416	26801	26849	27273	17640	16759	31457	31949	41455	39540	38921	37724	34989	33175	26754	28562	33114	31550	37049	35910	38235	39404	31196	30977	31211	28517	30581	28416	43051	43360	43081	41436	26996	31325	15572	16210	31312	28787	33780	34505	33395	30410	26747	27050	32024	30691	19293	18816	41354	33910	37533	33573	41286	38937	33604	34385	36017	33245	36218	37164	44144	42594	30344	29027	40290	37703	42578	41773	50312	50175	56001	53335	50192	54320	52229	53396	45674	48472	13063	44779	45965	44061	41507	41749	47242	46568	40781	40730	38075	42688	47046	46020	43586	45185	45355	42953	42790	40148	48172	47443	41473	45780	50299	47436	48409	46551	43879	39666	31748	29978	37502	37347	42300	41499	24509	33722	36479	34557	22366	21347	23361	20482	21924	22831	27293	31371	22676	22362	25871	22254	19724	25073	21679	21123	22074	21678	19249	21768	19637	20939	23377	21341	23218	22300	16706	17981	27391	26335	20664	20250	23045	23230	22785	23744	24164	25465	20178	17228	20572	19517	21664	19637	18701	17458
ADP-D-ribose	1	1	33495	35147	20773	22356	43711	43247	20226	18702	25334	25308	47244	46731	38153	39397	1	1	32909	30737	1	1	74790	74655	48027	50971	1	1	1	1	8901	9631	16632	17088	20053	21524	15164	14595	14336	15173	19034	18849	8988	10648	12028	12621	16332	13934	1	1	1	1	23117	21511	1	1	21125	19365	1	1	17606	17094	65045	65153	1	1	15338	12806	43670	42348	92967	92131	1	1	11313	11967	1	1	9888	11118	64494	62820	51469	54337	38715	37852	43665	39093	52259	52371	77527	76076	8252	9977	104405	98585	74611	78713	10975	12192	53290	54700	9325	9980	24690	25800	14487	16736	1	1	1	1	21380	22269	11333	10974	23112	22916	18404	18558	16707	17907	15210	15329	12397	12194	14894	14219	39965	39596	11421	13778	13800	15754	16467	15144	18067	17514	12025	12987	14063	13264	16474	16559	14521	15193	11143	13329	34422	36537	37998	40918	27753	27748	12970	11441	27975	27632	24308	26237	10239	11092	32205	33796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
151.9476@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48625	45049	42172	45043	88907	85864	37571	40941	42793	39075	35162	34366	106171	95581	48555	44546	48102	46539	42582	38831	32606	34043	63902	67774	63789	65864	33124	38131	137733	126299	115151	107847	122387	122259	92320	93853	136922	132474	95993	99501	44891	48888	94861	95710	57607	63283	58895	61186	45359	47008	53241	50702	51756	51352	71718	69197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Iodophenol nullnullnull 3.193807	55142	1	12689	1	1	1	1	1	1	1	44071	1	11459	1	1	1	1	1	1	1	1	1	33922	98690	1	1	1	1	1	91188	1	1	1	1	1	1	1	1	1	1	17426	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44572	30571	1	250879	1	75264	255227	186456	1	216633	12185	1	34712	132219	13553	206887	69796	1	76157	78499	8234	1	1	1	104142	206450	1	1	112608	1	1	109344	1	56797	52077	24293	1	1	218874	56042	90015	98785	1	67500	55336	58961	28484	48661	1	1	47025	100904	1	1	107246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
121.0465@0.6159998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	112635	119114	85132	102190	123205	169105	180307	139169	109049	100057	169880	146542	153022	142577	103561	428110	135469	1	86410	67969	74199	51884	56944	27128	57728	1	20011	1	50813	1	539130	1	1	1	60864	39930	1	50244	47657	33302	1	10879	1	43937	20861	35099	1	36656	1	1	1	1	1	19493	615927	69120	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
373.8737@0.8757612	52576	50823	63080	58049	54586	50495	58915	59062	61827	55975	56895	47963	59715	57086	45001	39902	53740	61528	53306	52876	45000	43034	49519	57616	53618	54658	49227	51377	50428	56451	55922	55197	63491	68987	56989	66483	67404	63987	38085	45488	63141	58286	40307	48130	26188	32079	44579	40201	53965	58071	27571	33338	44080	39837	74011	74091	55767	55195	88836	95174	86018	73128	117485	124187	78916	78912	85382	87866	69299	72448	120147	122247	65995	59576	78311	77895	82916	67641	58430	59239	83860	89471	93935	95416	57645	51769	124595	119042	111874	116763	121002	122895	72026	72361	129198	130732	121326	112063	81640	75821	116502	102033	81843	81693	73719	83638	68019	64544	71279	67053	75412	71227	99625	101459	51664	57438	64258	75180	80763	77009	72894	74064	72970	74333	73809	71324	63272	64255	52884	45127	72954	68612	47079	53312	51716	48274	68460	73355	54822	58085	72577	77524	62171	53975	79601	76609	65586	70041	75235	76556	74536	72576	68720	57966	44048	42196	62376	57076	79508	74491	52800	50015	50640	53159	38544	37070	51387	50991	55154	49859	65581	69894	61427	61009	74616	67510	44990	44942	52665	51543	64795	57818	50022	52073	57149	59859	66491	73008	64136	69022	50382	53530	91292	85699	51560	51155	76450	71892	52743	52353	65975	66900	36848	39193	60191	61730	58469	60799	51599	54699
2-10-Luteinizing hormone-releasing factor	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8150	7910	9279	10414	43650	37983	9842	9806	12941	9738	1	1	95978	101407	1	1	9457	11015	11919	14394	14712	12997	63169	61287	45651	46397	7980	1	108954	110371	81794	77941	76241	74132	1	1	70615	74567	57943	54821	8095	7792	34612	33566	11923	12429	12732	12121	11254	11359	8089	7292	6892	6629	13068	15588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
324.2275@13.378621	68468	503733	56707	41157	47337	40067	28626	28076	49460	222467	30419	37905	86822	40037	29817	47362	86525	1	56443	27104	44245	24642	108240	54590	60295	44308	50308	47097	59634	35158	269467	42181	42619	47254	37755	48209	34597	36985	161639	72884	50748	72374	33062	37773	70496	89614	72550	48094	46477	49843	37735	38113	514321	98260	58556	44955	69918	117207	10760	8956	8376	8176	13065	12440	10235	9425	9168	11074	13310	1	13574	12590	12558	16973	14583	16072	10386	9779	22014	21112	31880	38401	36818	21945	16275	13208	10709	11797	12654	13128	16193	13890	20192	18577	35459	26780	35340	23719	25659	18335	48794	33135	23420	19616	47765	28884	21034	27531	41867	31867	22336	25206	131327	26500	33430	38514	29990	32078	36644	37953	33340	36234	28921	30552	37866	39609	35208	34617	38880	36867	33545	33054	45741	43827	38388	34599	38952	32222	35619	36789	38734	41064	38359	43469	30877	31100	37268	34385	30963	27728	34144	41531	33825	37487	53822	51880	34940	36675	42332	43299	41961	43092	32916	34690	47875	54418	61531	55557	50525	46999	47261	43381	45298	43561	72766	66006	43459	41320	40632	44146	55326	50605	53430	44232	45097	43613	46274	42978	50107	46077	52062	46164	52393	45967	47944	48214	54105	47838	46579	47236	69622	52505	48542	49802	55612	48975	65148	68602	52985	49775
441.8295@0.86211663	100512	97876	95397	105189	104711	104015	92765	99228	99877	104817	101125	98019	109082	100534	87634	86699	105851	101516	94063	96836	100383	92748	99854	99262	98990	104958	95196	96383	92585	88935	140653	149570	158464	162439	155681	150441	156808	153805	138329	138992	149029	155691	135365	135159	122565	128069	125094	128427	141151	147425	89195	89385	129278	134323	158925	173782	159402	165674	130373	129418	108561	106907	110234	107630	129630	128145	133713	137571	106343	97802	93623	91701	82070	80306	137051	141348	135452	120307	102780	103919	65980	63657	93108	91509	96984	86914	67790	67795	72010	74283	73647	78781	47092	51688	82134	69979	93016	88533	127351	124037	88460	79211	107827	113793	118013	117818	137446	135301	90110	92319	115508	122572	130895	130253	49879	51276	62620	60061	51155	53700	64366	66179	53772	50804	56643	54686	58073	57463	55331	52199	56442	60157	57882	55862	52843	54829	67226	66149	58063	57844	70707	67398	55130	56719	68857	68243	59209	56648	61555	65336	66188	61641	54116	54888	36047	36431	50242	61035	52077	57882	54447	59759	58421	49852	24006	25559	29106	31841	27242	25226	34727	35628	30753	32686	30482	30977	35781	37731	28825	30812	31315	34640	28243	31295	34601	31235	36936	41103	32965	33245	29622	29401	48640	45326	30984	29518	34672	37592	29754	29851	34055	31862	36837	35414	32008	29751	31520	28999	29779	30672
255.9098@0.8574874	85523	92523	112780	95231	61066	66850	77627	95874	78668	100314	70644	73434	69617	92495	51970	68931	66011	78407	86261	77183	73920	57206	83759	110364	75025	79029	89252	57758	89205	105449	74846	78402	91656	83893	84039	84053	80085	83975	69585	70411	82704	86493	74423	78467	63841	63082	65637	70340	76361	79422	46798	52203	68664	71325	98583	95962	87068	94078	35907	26328	34999	36722	49527	55891	21748	24919	39766	36891	32992	12061	49422	55872	1	9754	24719	22147	34282	37694	40257	46787	60708	74571	62245	63911	19561	24126	66884	70097	47180	62649	65685	41596	57117	47856	40966	46055	41158	66760	16008	27482	41730	59134	30569	28345	31870	51405	9760	9810	29022	19105	16277	15387	22231	30194	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
GW 4064	7632	8793	21845	24312	14419	12528	31599	32777	12847	13294	21262	23187	23559	22173	20103	21554	9502	9073	18110	17196	1	1	45805	48625	28373	30068	6972	7079	9801	9874	41109	37634	60706	59336	14309	14516	42071	40132	49260	50475	76678	77882	34322	35413	32650	31065	70754	69219	12388	13453	13618	14570	67191	65576	13055	11251	122889	122469	1	1	18084	18504	54714	54049	6249	1	11153	10622	15627	16068	103864	98751	1	1	9616	8696	1	1	12269	12786	60623	58581	30197	29460	16994	19185	68255	72565	49534	49767	80820	80741	9022	10669	84663	86420	40977	42440	14805	12621	27059	25586	10600	12870	14363	14433	17477	18872	1	1	8087	8973	16295	17419	77135	79905	89537	86277	85040	87997	95555	94911	34576	35539	98698	97513	95649	97653	78078	72545	86893	87276	96674	94409	76792	81955	66284	68969	89336	87363	93316	96529	80197	84628	82591	80894	89667	88730	52292	50965	88514	85104	61910	57664	67386	66153	47296	42174	135272	134378	115187	114826	47019	45898	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7224	6518	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6959	6851	1	1
268.2401@12.964891	27742	21209	12763	7785	9579	7656	1	1	14827	9452	19339	20136	33631	18791	35876	29473	88960	35106	36789	20987	23687	23694	1	1	14571	1	6499	1	1	1	20410	16658	20464	21531	8686	1	18914	25617	8674	6003	6480	21821	23852	21010	8054	41683	10932	44289	19103	13191	1	1	10548	11810	11115	6391	78708	68613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25334	18285	111754	39364	23032	1	1	1	1	1	1	1	1	1	1	1	16770	1	16698	1	11263	1	23068	12265	1	1	75346	12373	1	1	28683	7621	1	1	31800	1	1	14105	1	6486	12751	12547	8864	1	1	1	10051	8666	8188	8545	13478	13592	1	1	22682	18368	9344	1	1	1	9095	10063	20842	24296	14787	13155	1	1	10183	8939	1	1	1	12284	1	1	101930	79987	1	1	19543	19949	19123	15715	1	1	33212	36870	33553	28597	56789	35182	33167	15320	32610	13286	132733	115152	35550	16554	11717	6422	22523	20414	14323	11562	28717	8609	42414	17603	19292	16222	19213	13162	12684	11602	16974	13579	37081	11142	14440	12761	127808	19079	16269	11112	32691	15829	51782	72017	33616	16596
665.8359@0.84620047	41764	39547	41026	41124	40244	42418	48847	44233	44910	41598	41414	43336	39805	46494	38326	41312	41429	42754	43420	41004	42580	34621	38902	41430	41503	41380	39158	40890	40147	43407	27044	20327	29641	27605	32171	26887	29133	27259	27235	22895	27120	24881	31122	25195	24154	28985	20939	30955	25950	18381	19930	22082	26667	27375	20091	19494	29315	29043	102765	102055	90633	91638	69031	74279	102659	100305	96390	97102	86698	84746	46430	46849	93501	79292	95674	95178	94605	66065	56834	62572	46206	48445	66219	73116	78771	82512	33715	27035	50071	53805	46793	48508	71091	68598	56409	55867	69471	76314	104665	107342	90710	83216	112789	113192	107695	110167	84130	77109	108328	111499	106097	100000	103173	114901	16074	16546	18325	15830	20278	20011	16897	17409	13284	15621	16885	18629	15150	15978	19486	19140	16175	18770	19929	16525	18785	19843	20229	19240	17435	19376	20135	20903	15807	18988	16075	17792	17398	16826	13964	12875	19789	15111	18952	15161	19160	19447	12807	10068	22812	23036	19015	19469	16694	14452	17651	16490	15293	18537	16965	15650	13943	14177	21548	20036	16396	16739	17426	19214	17143	20382	19336	20546	14722	15240	20623	21931	22015	22620	16797	16863	23206	23382	23204	21321	17482	14898	20856	20410	17820	17926	21925	23724	16518	17011	21585	22328	24264	23308	22046	23782
577.7984@0.85463315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85599	76741	83261	87393	83041	78229	87989	71158	85548	86567	66210	68853	80086	72366	47358	47939	70761	64752	81840	88589	88150	97590	81415	79409	76634	81483	66324	64351	67841	69514	73636	62592	65511	66025	51464	50187	63960	76532	73408	76035	77818	74721	77388	68037	78038	78869	73717	78059	65087	63391	75459	76724	79209	75370	89807	86070	23810	25569	23428	22435	23544	20438	26054	24143	17744	19822	26429	23964	26914	27182	25782	28319	25860	25353	27233	28802	28728	24738	26904	30418	23706	24757	29082	29716	24601	26825	26000	25835	23930	23652	23097	24145	27332	27346	20903	24397	22267	22854	21082	22609	28333	28128	24681	27375	22252	22078	14103	12047	14004	13563	12303	13397	15373	14725	18392	19949	14323	14215	20865	20932	14109	14815	16090	15812	11600	11232	21705	19570	22827	24392	14338	12842	19498	19876	23973	23531	13450	13566	19140	19869	14250	16690	21798	23755	16785	16193	19379	18885	18001	24651	18519	18804
591.3486@12.875906	158892	124607	21016	28220	19271	16361	14830	1	57719	30109	52531	62744	229428	61991	178135	114627	629580	90411	115986	64829	83681	111386	1	1	25762	1	16699	1	12750	1	12275	14780	14816	13544	9950	8729	17212	18086	37098	33225	20221	16733	17229	18781	11041	6746	44615	25565	18032	16750	1	1	41822	21089	15322	17678	15864	10177	1	1	1	1	11835	1	1	1	1	1	1	1	14031	1	1	1	1	1	1	1	16642	11742	275756	63543	13955	1	1	1	7025	7806	5898	7324	1	1	1	1	51737	14704	29671	1	15251	14985	20950	31532	1	1	66763	1	1	1	15067	1	1	1	32390	28068	1	25125	19369	17481	12859	22945	18521	17792	1	1	22567	23516	23519	11144	16309	17228	14571	15482	44051	40598	1	1	23803	20224	27186	29435	40998	41895	25874	13196	18828	18248	48606	50933	39713	34852	19411	22593	23763	20589	41729	31681	1	1	21606	18986	25390	22202	1	1	12838	13254	13381	14170	21027	1	1	1	11085	1	83335	55689	13527	11882	17040	16646	30205	19107	28847	26988	21846	16777	14829	11857	22401	21393	14182	19259	15640	10034	27233	23824	18611	13467	21647	20479	52808	15554	18417	18715	20638	14553	29877	45984	14571	12172
381.8745@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	94548	90851	87752	86746	73963	67926	88127	84753	88636	87677	82956	76691	47968	58289	51064	45461	73398	66273	74010	103398	85767	98198	58026	44328	70736	70134	70421	74870	31735	31445	47396	39547	46382	50621	38011	45595	55097	57536	54987	58142	73683	69407	70663	64319	75150	76327	71266	74354	66899	65773	77271	69380	77038	67154	80335	83285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.8181@0.85590434	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73025	66494	65921	64820	81921	89432	73623	75881	78408	72284	80213	73574	112211	112496	37600	37978	59847	63905	62758	85980	81435	75861	77407	71675	74272	73405	73758	68684	105838	117280	89339	82336	94950	87155	41459	38163	89502	90787	77017	74261	57593	64489	64096	74146	56456	61207	57281	63871	60729	64621	55351	50776	61419	59116	59166	69052	8539	8808	11325	15265	9189	8152	14995	9768	13050	12793	11659	11439	10798	12431	11742	12295	12313	10970	12236	10957	9319	14856	12516	11893	8910	9700	12659	14591	12585	13495	13890	12357	10136	12452	12751	12784	14391	9590	12102	14018	6296	7423	11483	13361	7482	9318	10858	11631	9458	11513	1	1	1	1	1	1	7682	7393	1	1	1	5929	10050	8534	1	1	5285	1	1	5425	1	1	6750	5548	6741	6097	1	6057	1	8291	1	1	1	6117	7416	7174	1	1	6728	1	5916	1	1	1	1	1
C12 H4 O11 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30187	32801	31722	34195	46180	44018	26654	28569	23434	30447	26816	21405	41772	41144	30924	29528	34691	35996	30446	21169	19479	22494	27299	27061	35380	32127	28642	24932	48725	43152	46362	46126	54873	48460	53458	49106	62347	57698	57005	56670	37837	38342	60113	57878	42492	43419	42903	41719	26647	25241	39597	48909	36889	42847	56439	47563	7418	8569	9114	8659	8111	9398	8232	9666	1	1	1	6673	1	1	1	1	1	1	1	1	1	1	6641	6856	1	1	8311	1	1	1	7266	8405	1	1	7048	6527	6790	8221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7528	6786	1	1	1	1	1	9569	1	1	1	1	1	1	1	1	1	1	1	1	9012	7937	1	1
6-Methyl-5-hepten-2-ol	358219	125656	234296	523825	448258	57918	373066	367334	384902	255145	361122	325310	355369	1	82590	545877	107079	301931	361713	335904	281151	392857	377337	408899	286973	435343	111034	112665	185586	679232	335299	229676	389472	392223	118596	170762	185343	19929	204920	383235	416644	426442	118953	159941	369367	168301	217291	125430	429123	426828	547824	460280	163664	425031	399776	250929	472852	180522	288326	199621	265330	386266	293754	292889	199185	243208	245417	280172	399817	243937	200034	231562	232547	282887	341015	317445	195664	261785	454811	285108	332992	536691	357390	295042	313096	329079	199223	85976	253342	225570	131057	467841	158051	393003	305230	416246	324430	346675	465665	686883	210319	287558	353857	499581	408430	382823	355181	411239	309331	345154	317458	486137	1.40E+07	270426	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
411.2049@11.088004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20052	23247	33170	30781	1	1	1	1	1	1	57022	55910	1	1	1	1	1	1	25735	24918	114797	99542	120175	97909	15305	13638	68144	61473	77304	73089	65963	65509	1	1	93592	92395	104033	100232	14128	14965	74679	79968	31151	28825	39933	37745	1	1	25902	16449	24408	21323	34219	28750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-(+)-Abscisic acid	63061	81668	45326	26182	45756	25228	37971	48818	36980	36299	31330	35400	53226	60389	82330	109896	39261	55630	34315	44079	43249	45330	45689	62385	18799	22370	25652	23921	24055	32278	19945	27105	36643	27049	14277	11720	15616	33620	28881	24925	41422	37920	17080	8291	12720	30687	35305	28638	1	1	1	1	47149	42931	1	1	60053	33684	17228	19883	34671	35587	1	1	17976	28978	1	1	16395	17479	32843	29390	33494	29202	21539	19560	19703	18920	66105	65760	102269	105368	116331	89156	42202	41880	21588	26171	40636	45332	34466	38534	29951	38627	50462	53998	102990	109819	47587	48380	78352	88756	43482	46303	55392	62945	17886	13147	111804	104443	37301	37827	153248	55506	25076	32750	15045	21752	32414	47948	28401	26635	11728	23776	41704	31836	27375	1	20462	10753	1	23130	18964	37468	21891	44488	36429	22555	19569	14176	36368	1	48436	28361	25850	18331	19377	27406	1	1	24982	32750	18520	23624	49392	47290	1	14679	22165	19579	21889	12892	50137	39812	17444	16535	17328	1	1	1	1	1	31451	22070	72741	13910	51027	44028	1	1	1	1	13969	1	30606	29654	48269	55039	38555	26392	13175	16600	17137	28176	20496	21725	20846	28321	1	1	37166	22602	1	1	1	1	1	1	20443	17629
275.0277@0.93399936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29211	25526	27907	28938	34673	31997	35577	38030	28804	35307	32951	73745	146128	33326	31732	29086	45484	47111	28375	37935	32746	43084	33175	105186	38866	37998	38139	40702	40050	33807	30568	35397	39410	37155	47852	41621	48735	47870	48404	58655	53095	55634	56529	46225	47898	50240	48670	74999	48041	73009	42407	42273	48249	63075	77607	57464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
734.2089@1.0449457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10302	12480	1	1	1	1	1	1	113029	114453	215139	216720	377719	373215	174191	179419	514239	500281	88138	89505	267303	274575	71743	75628	310050	321047	68409	71186	44638	48550	623896	626742	89914	90251	435871	443336	74338	76340	62736	64493	52218	52226	21728	25823	52138	50644	18425	21423	88342	87363	32512	28995	38267	35750	23059	21586	47694	45975	26248	24126	57761	59579	34177	38052	111242	107079	123120	124362	44859	44228	17718	21429	64785	61433	95846	95552	70372	68427	109105	104127	42193	44531	48361	49938	13835	12641	80661	81515	75791	75564	93905	83742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
342.0796@0.96984035	210709	214371	265845	259055	200327	193629	245852	239480	329390	329330	238890	239663	233109	231032	282628	278926	242290	231620	276313	268119	152987	156265	217649	218923	242307	269345	286993	284875	319428	338202	595281	579664	986290	1036348	1477533	1462242	557707	548433	2863177	2820361	574995	558675	638238	643741	830669	836191	1245390	1299773	445356	469951	170070	180915	2259419	2200355	275052	268068	1581668	1547136	61052	59884	72567	66440	66372	62634	66758	62112	66839	68459	66865	61657	53497	53962	42070	43530	58954	60949	64083	62379	62748	64750	62372	55955	63657	66008	71868	70138	41312	40145	53903	50276	54856	55672	37073	51765	65732	62311	62116	61442	64115	64781	66901	65030	72576	77134	75470	76499	62423	64415	67816	68664	74973	71264	109340	82052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
681.3258@10.832342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8516	9898	1	1	26658	22376	1	1	1	1	1	1	41415	24952	1	1	1	1	1	1	11386	8999	145130	66668	34244	27402	1	1	32059	35047	34725	39987	42210	34658	1	1	45353	36876	57385	37313	1	1	48834	42435	10959	8957	23296	9337	1	1	18707	12813	985