view test-data/d3-test-data.tsv @ 6:35b984684450 draft

planemo upload for repository https://github.com/HegemanLab/VKMZ commit 5ef8d2b36eb35ff5aad5d5e9b78c38405fc95c1a
author eslerm
date Tue, 10 Jul 2018 17:58:35 -0400
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sample_id	polarity	mz	rt	intensity	predictions	delta	hc	oc	nc	size	color
acquired_cold_1	negative	151.027252644	478.986287339	2479927.686	[['151.026943', 'C7H5NO3', -0.00030964440799152726, {'H': '5', 'C': '7', 'O': '3', 'N': 1}]]	-0.000309644407992	0.714285714286	0.428571428571	0.142857142857	4.92121160707	0.519427832004
acquired_cold_1	negative	151.027252644	478.986287339	2848595.64	[['151.026943', 'C7H5NO3', -0.00030964440799152726, {'H': '5', 'C': '7', 'O': '3', 'N': 1}]]	-0.000309644407992	0.714285714286	0.428571428571	0.142857142857	5.6528027033	0.519427832004
acquired_cold_1	negative	151.027252644	478.986287339	2848595.64	[['151.026943', 'C7H5NO3', -0.00030964440799152726, {'H': '5', 'C': '7', 'O': '3', 'N': 1}]]	-0.000309644407992	0.714285714286	0.428571428571	0.142857142857	5.6528027033	0.519427832004
acquired_cold_1	negative	151.027252644	478.986287339	1.540666893	[['151.026943', 'C7H5NO3', -0.00030964440799152726, {'H': '5', 'C': '7', 'O': '3', 'N': 1}]]	-0.000309644407992	0.714285714286	0.428571428571	0.142857142857	3.05732616288E-06	0.519427832004
acquired_cold_1	negative	151.027252644	478.986287339	1.540666893	[['151.026943', 'C7H5NO3', -0.00030964440799152726, {'H': '5', 'C': '7', 'O': '3', 'N': 1}]]	-0.000309644407992	0.714285714286	0.428571428571	0.142857142857	3.05732616288E-06	0.519427832004
acquired_cold_1	negative	153.043243309	295.704858962	32656331.08	[['153.0425931', 'C7H7NO3', -0.0006502092489881761, {'H': '7', 'C': '7', 'O': '3', 'N': 1}]]	-0.000650209248988	1	0.428571428571	0.142857142857	64.8037910389	0.320671672371
acquired_cold_1	negative	153.043243309	295.704858962	32179243.79	[['153.0425931', 'C7H7NO3', -0.0006502092489881761, {'H': '7', 'C': '7', 'O': '3', 'N': 1}]]	-0.000650209248988	1	0.428571428571	0.142857142857	63.8570507277	0.320671672371
acquired_cold_1	negative	153.043243309	295.704858962	32179243.79	[['153.0425931', 'C7H7NO3', -0.0006502092489881761, {'H': '7', 'C': '7', 'O': '3', 'N': 1}]]	-0.000650209248988	1	0.428571428571	0.142857142857	63.8570507277	0.320671672371
acquired_cold_1	negative	153.043243309	295.704858962	0.846444012	[['153.0425931', 'C7H7NO3', -0.0006502092489881761, {'H': '7', 'C': '7', 'O': '3', 'N': 1}]]	-0.000650209248988	1	0.428571428571	0.142857142857	1.6796982106E-06	0.320671672371
acquired_cold_1	negative	153.043243309	295.704858962	0.846444012	[['153.0425931', 'C7H7NO3', -0.0006502092489881761, {'H': '7', 'C': '7', 'O': '3', 'N': 1}]]	-0.000650209248988	1	0.428571428571	0.142857142857	1.6796982106E-06	0.320671672371
acquired_cold_1	negative	154.040185969	311.833276359	39656341.43	[['154.0394954', 'C4H11O4P', -0.0006905693499845711, {'H': '11', 'C': '4', 'O': '4', 'N': 0}]]	-0.000690569349985	2.75	1	0	78.6947332541	0.338161836712
acquired_cold_1	negative	154.040185969	311.833276359	39063903.98	[['154.0394954', 'C4H11O4P', -0.0006905693499845711, {'H': '11', 'C': '4', 'O': '4', 'N': 0}]]	-0.000690569349985	2.75	1	0	77.5190900803	0.338161836712
acquired_cold_1	negative	154.040185969	311.833276359	39063903.98	[['154.0394954', 'C4H11O4P', -0.0006905693499845711, {'H': '11', 'C': '4', 'O': '4', 'N': 0}]]	-0.000690569349985	2.75	1	0	77.5190900803	0.338161836712
acquired_cold_1	negative	154.040185969	311.833276359	0.851262333	[['154.0394954', 'C4H11O4P', -0.0006905693499845711, {'H': '11', 'C': '4', 'O': '4', 'N': 0}]]	-0.000690569349985	2.75	1	0	1.68925977054E-06	0.338161836712
acquired_cold_1	negative	154.040185969	311.833276359	0.851262333	[['154.0394954', 'C4H11O4P', -0.0006905693499845711, {'H': '11', 'C': '4', 'O': '4', 'N': 0}]]	-0.000690569349985	2.75	1	0	1.68925977054E-06	0.338161836712
acquired_cold_1	negative	162.089577556	152.040443946	2318451.736	[['162.0892089', 'C7H14O4', -0.00036865556100451613, {'H': '14', 'C': '7', 'O': '4', 'N': 0}]]	-0.000368655561005	2	0.571428571429	0	4.60077592506	0.164877451116
acquired_cold_1	negative	162.089577556	152.040443946	2171383.76	[['162.0892089', 'C7H14O4', -0.00036865556100451613, {'H': '14', 'C': '7', 'O': '4', 'N': 0}]]	-0.000368655561005	2	0.571428571429	0	4.30893167709	0.164877451116
acquired_cold_1	negative	162.089577556	152.040443946	2171383.76	[['162.0892089', 'C7H14O4', -0.00036865556100451613, {'H': '14', 'C': '7', 'O': '4', 'N': 0}]]	-0.000368655561005	2	0.571428571429	0	4.30893167709	0.164877451116
acquired_cold_1	negative	162.089577556	152.040443946	0.555726325	[['162.0892089', 'C7H14O4', -0.00036865556100451613, {'H': '14', 'C': '7', 'O': '4', 'N': 0}]]	-0.000368655561005	2	0.571428571429	0	1.10279297916E-06	0.164877451116
acquired_cold_1	negative	162.089577556	152.040443946	0.555726325	[['162.0892089', 'C7H14O4', -0.00036865556100451613, {'H': '14', 'C': '7', 'O': '4', 'N': 0}]]	-0.000368655561005	2	0.571428571429	0	1.10279297916E-06	0.164877451116
acquired_cold_1	negative	187.083592016	480.379795321	1120363.921	[['187.0844579', 'C8H13NO4', 0.0008658838970063698, {'H': '13', 'C': '8', 'O': '4', 'N': 1}]]	0.000865883897006	1.625	0.5	0.125	2.22326963939	0.520938995997
acquired_cold_1	negative	187.083592016	480.379795321	1423853.099	[['187.0844579', 'C8H13NO4', 0.0008658838970063698, {'H': '13', 'C': '8', 'O': '4', 'N': 1}]]	0.000865883897006	1.625	0.5	0.125	2.82551883957	0.520938995997
acquired_cold_1	negative	187.083592016	480.379795321	1423853.099	[['187.0844579', 'C8H13NO4', 0.0008658838970063698, {'H': '13', 'C': '8', 'O': '4', 'N': 1}]]	0.000865883897006	1.625	0.5	0.125	2.82551883957	0.520938995997
acquired_cold_1	negative	187.083592016	480.379795321	1.506978765	[['187.0844579', 'C8H13NO4', 0.0008658838970063698, {'H': '13', 'C': '8', 'O': '4', 'N': 1}]]	0.000865883897006	1.625	0.5	0.125	2.9904748561E-06	0.520938995997
acquired_cold_1	negative	187.083592016	480.379795321	1.506978765	[['187.0844579', 'C8H13NO4', 0.0008658838970063698, {'H': '13', 'C': '8', 'O': '4', 'N': 1}]]	0.000865883897006	1.625	0.5	0.125	2.9904748561E-06	0.520938995997
acquired_cold_1	negative	189.078126744	439.409526095	10893582.97	[['189.0789786', 'C11H11NO2', 0.0008518564590076494, {'H': '11', 'C': '11', 'O': '2', 'N': 1}]]	0.000851856459008	1	0.181818181818	0.0909090909091	21.6174154017	0.476509544292
acquired_cold_1	negative	189.078126744	439.409526095	13174216.29	[['189.0789786', 'C11H11NO2', 0.0008518564590076494, {'H': '11', 'C': '11', 'O': '2', 'N': 1}]]	0.000851856459008	1	0.181818181818	0.0909090909091	26.1431438047	0.476509544292
acquired_cold_1	negative	189.078126744	439.409526095	13174216.29	[['189.0789786', 'C11H11NO2', 0.0008518564590076494, {'H': '11', 'C': '11', 'O': '2', 'N': 1}]]	0.000851856459008	1	0.181818181818	0.0909090909091	26.1431438047	0.476509544292
acquired_cold_1	negative	189.078126744	439.409526095	1.662143651	[['189.0789786', 'C11H11NO2', 0.0008518564590076494, {'H': '11', 'C': '11', 'O': '2', 'N': 1}]]	0.000851856459008	1	0.181818181818	0.0909090909091	3.29838675301E-06	0.476509544292
acquired_cold_1	negative	189.078126744	439.409526095	1.662143651	[['189.0789786', 'C11H11NO2', 0.0008518564590076494, {'H': '11', 'C': '11', 'O': '2', 'N': 1}]]	0.000851856459008	1	0.181818181818	0.0909090909091	3.29838675301E-06	0.476509544292
acquired_cold_1	negative	193.057748469	513.214176912	1897826.444	[['193.0586371', 'C6H11NO6', 0.0008886309830131722, {'H': '11', 'C': '6', 'O': '6', 'N': 1}]]	0.000888630983013	1.83333333333	1	0.166666666667	3.76607978416	0.556545634633
acquired_cold_1	negative	193.057748469	513.214176912	2207900.333	[['193.0586371', 'C6H11NO6', 0.0008886309830131722, {'H': '11', 'C': '6', 'O': '6', 'N': 1}]]	0.000888630983013	1.83333333333	1	0.166666666667	4.3813957993	0.556545634633
acquired_cold_1	negative	193.057748469	513.214176912	2207900.333	[['193.0586371', 'C6H11NO6', 0.0008886309830131722, {'H': '11', 'C': '6', 'O': '6', 'N': 1}]]	0.000888630983013	1.83333333333	1	0.166666666667	4.3813957993	0.556545634633
acquired_cold_1	negative	193.057748469	513.214176912	0.753127374	[['193.0586371', 'C6H11NO6', 0.0008886309830131722, {'H': '11', 'C': '6', 'O': '6', 'N': 1}]]	0.000888630983013	1.83333333333	1	0.166666666667	1.49451905209E-06	0.556545634633
acquired_cold_1	negative	193.057748469	513.214176912	0.753127374	[['193.0586371', 'C6H11NO6', 0.0008886309830131722, {'H': '11', 'C': '6', 'O': '6', 'N': 1}]]	0.000888630983013	1.83333333333	1	0.166666666667	1.49451905209E-06	0.556545634633
acquired_cold_1	negative	194.058394907	745.96277729	471019.4078	[['194.0579088', 'C10H10O4', -0.00048610695597517406, {'H': '10', 'C': '10', 'O': '4', 'N': 0}]]	-0.000486106955975	1	0.4	0	0.934699100262	0.808945555241
acquired_cold_1	negative	194.058394907	745.96277729	1019637.56	[['194.0579088', 'C10H10O4', -0.00048610695597517406, {'H': '10', 'C': '10', 'O': '4', 'N': 0}]]	-0.000486106955975	1	0.4	0	2.02338649776	0.808945555241
acquired_cold_1	negative	194.058394907	745.96277729	1019637.56	[['194.0579088', 'C10H10O4', -0.00048610695597517406, {'H': '10', 'C': '10', 'O': '4', 'N': 0}]]	-0.000486106955975	1	0.4	0	2.02338649776	0.808945555241
acquired_cold_1	negative	194.058394907	745.96277729	0.699989397	[['194.0579088', 'C10H10O4', -0.00048610695597517406, {'H': '10', 'C': '10', 'O': '4', 'N': 0}]]	-0.000486106955975	1	0.4	0	1.38907112687E-06	0.808945555241
acquired_cold_1	negative	194.058394907	745.96277729	0.699989397	[['194.0579088', 'C10H10O4', -0.00048610695597517406, {'H': '10', 'C': '10', 'O': '4', 'N': 0}]]	-0.000486106955975	1	0.4	0	1.38907112687E-06	0.808945555241
acquired_cold_1	negative	202.094547934	404.380901513	180743.2777	[['202.0953569', 'C8H14N2O4', 0.0008089656210188423, {'H': '14', 'C': '8', 'O': '4', 'N': '2'}]]	0.000808965621019	1.75	0.5	0.25	0.358670102011	0.438523399374
acquired_cold_1	negative	202.094547934	404.380901513	505994.9895	[['202.0953569', 'C8H14N2O4', 0.0008089656210188423, {'H': '14', 'C': '8', 'O': '4', 'N': '2'}]]	0.000808965621019	1.75	0.5	0.25	1.00410525255	0.438523399374
acquired_cold_1	negative	202.094547934	404.380901513	505994.9895	[['202.0953569', 'C8H14N2O4', 0.0008089656210188423, {'H': '14', 'C': '8', 'O': '4', 'N': '2'}]]	0.000808965621019	1.75	0.5	0.25	1.00410525255	0.438523399374
acquired_cold_1	negative	202.094547934	404.380901513	1.602786796	[['202.0953569', 'C8H14N2O4', 0.0008089656210188423, {'H': '14', 'C': '8', 'O': '4', 'N': '2'}]]	0.000808965621019	1.75	0.5	0.25	3.18059797818E-06	0.438523399374
acquired_cold_1	negative	202.094547934	404.380901513	1.602786796	[['202.0953569', 'C8H14N2O4', 0.0008089656210188423, {'H': '14', 'C': '8', 'O': '4', 'N': '2'}]]	0.000808965621019	1.75	0.5	0.25	3.18059797818E-06	0.438523399374
acquired_cold_1	negative	204.110235813	922.142129909	263016.508	[['204.111007', 'C8H16N2O4', 0.000771186995024209, {'H': '16', 'C': '8', 'O': '4', 'N': '2'}]]	0.000771186995024	2	0.5	0.25	0.52193453032	1
acquired_cold_1	negative	204.110235813	922.142129909	480166.0209	[['204.111007', 'C8H16N2O4', 0.000771186995024209, {'H': '16', 'C': '8', 'O': '4', 'N': '2'}]]	0.000771186995024	2	0.5	0.25	0.952849798287	1
acquired_cold_1	negative	204.110235813	922.142129909	480166.0209	[['204.111007', 'C8H16N2O4', 0.000771186995024209, {'H': '16', 'C': '8', 'O': '4', 'N': '2'}]]	0.000771186995024	2	0.5	0.25	0.952849798287	1
acquired_cold_1	negative	204.110235813	922.142129909	0.691017	[['204.111007', 'C8H16N2O4', 0.000771186995024209, {'H': '16', 'C': '8', 'O': '4', 'N': '2'}]]	0.000771186995024	2	0.5	0.25	1.3712661463E-06	1
acquired_cold_1	negative	204.110235813	922.142129909	0.691017	[['204.111007', 'C8H16N2O4', 0.000771186995024209, {'H': '16', 'C': '8', 'O': '4', 'N': '2'}]]	0.000771186995024	2	0.5	0.25	1.3712661463E-06	1
acquired_cold_1	negative	211.083450871	556.414916611	12250723.87	[['211.0844579', 'C10H13NO4', 0.0010070289640111696, {'H': '13', 'C': '10', 'O': '4', 'N': 1}]]	0.00100702896401	1.3	0.4	0.1	24.310549394	0.603393878844
acquired_cold_1	negative	211.083450871	556.414916611	13390924.45	[['211.0844579', 'C10H13NO4', 0.0010070289640111696, {'H': '13', 'C': '10', 'O': '4', 'N': 1}]]	0.00100702896401	1.3	0.4	0.1	26.5731832443	0.603393878844
acquired_cold_1	negative	211.083450871	556.414916611	13390924.45	[['211.0844579', 'C10H13NO4', 0.0010070289640111696, {'H': '13', 'C': '10', 'O': '4', 'N': 1}]]	0.00100702896401	1.3	0.4	0.1	26.5731832443	0.603393878844
acquired_cold_1	negative	211.083450871	556.414916611	0.850084967	[['211.0844579', 'C10H13NO4', 0.0010070289640111696, {'H': '13', 'C': '10', 'O': '4', 'N': 1}]]	0.00100702896401	1.3	0.4	0.1	1.68692338499E-06	0.603393878844
acquired_cold_1	negative	211.083450871	556.414916611	0.850084967	[['211.0844579', 'C10H13NO4', 0.0010070289640111696, {'H': '13', 'C': '10', 'O': '4', 'N': 1}]]	0.00100702896401	1.3	0.4	0.1	1.68692338499E-06	0.603393878844
acquired_cold_1	negative	219.052458208	452.870979892	459981595.8	[['219.0531578', 'C11H9NO4', 0.0006995918140262347, {'H': '9', 'C': '11', 'O': '4', 'N': 1}]]	0.000699591814026	0.818181818182	0.363636363636	0.0909090909091	912.795474266	0.491107569216
acquired_cold_1	negative	219.052458208	452.870979892	524725631.1	[['219.0531578', 'C11H9NO4', 0.0006995918140262347, {'H': '9', 'C': '11', 'O': '4', 'N': 1}]]	0.000699591814026	0.818181818182	0.363636363636	0.0909090909091	1041.27466332	0.491107569216
acquired_cold_1	negative	219.052458208	452.870979892	524725631.1	[['219.0531578', 'C11H9NO4', 0.0006995918140262347, {'H': '9', 'C': '11', 'O': '4', 'N': 1}]]	0.000699591814026	0.818181818182	0.363636363636	0.0909090909091	1041.27466332	0.491107569216
acquired_cold_1	negative	219.052458208	452.870979892	1.023617082	[['219.0531578', 'C11H9NO4', 0.0006995918140262347, {'H': '9', 'C': '11', 'O': '4', 'N': 1}]]	0.000699591814026	0.818181818182	0.363636363636	0.0909090909091	2.03128353039E-06	0.491107569216
acquired_cold_1	negative	219.052458208	452.870979892	1.023617082	[['219.0531578', 'C11H9NO4', 0.0006995918140262347, {'H': '9', 'C': '11', 'O': '4', 'N': 1}]]	0.000699591814026	0.818181818182	0.363636363636	0.0909090909091	2.03128353039E-06	0.491107569216
acquired_cold_1	negative	230.093410186	75.4572130113	1531326.87	[['230.0942943', 'C14H14O3', 0.0008841138660216075, {'H': '14', 'C': '14', 'O': '3', 'N': 0}]]	0.000884113866022	1	0.214285714286	0	3.03879165889	0.0818281808887
acquired_cold_1	negative	230.093410186	75.4572130113	1575200.489	[['230.0942943', 'C14H14O3', 0.0008841138660216075, {'H': '14', 'C': '14', 'O': '3', 'N': 0}]]	0.000884113866022	1	0.214285714286	0	3.12585523106	0.0818281808887
acquired_cold_1	negative	230.093410186	75.4572130113	1575200.489	[['230.0942943', 'C14H14O3', 0.0008841138660216075, {'H': '14', 'C': '14', 'O': '3', 'N': 0}]]	0.000884113866022	1	0.214285714286	0	3.12585523106	0.0818281808887
acquired_cold_1	negative	230.093410186	75.4572130113	1.095347879	[['230.0942943', 'C14H14O3', 0.0008841138660216075, {'H': '14', 'C': '14', 'O': '3', 'N': 0}]]	0.000884113866022	1	0.214285714286	0	2.17362737081E-06	0.0818281808887
acquired_cold_1	negative	230.093410186	75.4572130113	1.095347879	[['230.0942943', 'C14H14O3', 0.0008841138660216075, {'H': '14', 'C': '14', 'O': '3', 'N': 0}]]	0.000884113866022	1	0.214285714286	0	2.17362737081E-06	0.0818281808887
acquired_cold_1	negative	235.047160668	530.800481028	20389365.21	[['235.0480724', 'C11H9NO5', 0.0009117316849938106, {'H': '9', 'C': '11', 'O': '5', 'N': 1}]]	0.000911731684994	0.818181818182	0.454545454545	0.0909090909091	40.4610107378	0.575616777297
acquired_cold_1	negative	235.047160668	530.800481028	23146725.02	[['235.0480724', 'C11H9NO5', 0.0009117316849938106, {'H': '9', 'C': '11', 'O': '5', 'N': 1}]]	0.000911731684994	0.818181818182	0.454545454545	0.0909090909091	45.9327634741	0.575616777297
acquired_cold_1	negative	235.047160668	530.800481028	23146725.02	[['235.0480724', 'C11H9NO5', 0.0009117316849938106, {'H': '9', 'C': '11', 'O': '5', 'N': 1}]]	0.000911731684994	0.818181818182	0.454545454545	0.0909090909091	45.9327634741	0.575616777297
acquired_cold_1	negative	235.047160668	530.800481028	0.792378576	[['235.0480724', 'C11H9NO5', 0.0009117316849938106, {'H': '9', 'C': '11', 'O': '5', 'N': 1}]]	0.000911731684994	0.818181818182	0.454545454545	0.0909090909091	1.57240981962E-06	0.575616777297
acquired_cold_1	negative	235.047160668	530.800481028	0.792378576	[['235.0480724', 'C11H9NO5', 0.0009117316849938106, {'H': '9', 'C': '11', 'O': '5', 'N': 1}]]	0.000911731684994	0.818181818182	0.454545454545	0.0909090909091	1.57240981962E-06	0.575616777297
acquired_cold_1	negative	235.104605035	63.240476447	18551.22758	[['235.1055873', 'C9H17NO6', 0.0009822648900126296, {'H': '17', 'C': '9', 'O': '6', 'N': 1}]]	0.000982264890013	1.88888888889	0.666666666667	0.111111111111	0.0368133784737	0.0685799665755
acquired_cold_1	negative	235.104605035	63.240476447	28013.10591	[['235.1055873', 'C9H17NO6', 0.0009822648900126296, {'H': '17', 'C': '9', 'O': '6', 'N': 1}]]	0.000982264890013	1.88888888889	0.666666666667	0.111111111111	0.0555896943014	0.0685799665755
acquired_cold_1	negative	235.104605035	63.240476447	28013.10591	[['235.1055873', 'C9H17NO6', 0.0009822648900126296, {'H': '17', 'C': '9', 'O': '6', 'N': 1}]]	0.000982264890013	1.88888888889	0.666666666667	0.111111111111	0.0555896943014	0.0685799665755
acquired_cold_1	negative	235.104605035	63.240476447	2.041362736	[['235.1055873', 'C9H17NO6', 0.0009822648900126296, {'H': '17', 'C': '9', 'O': '6', 'N': 1}]]	0.000982264890013	1.88888888889	0.666666666667	0.111111111111	4.050915697E-06	0.0685799665755
acquired_cold_1	negative	235.104605035	63.240476447	2.041362736	[['235.1055873', 'C9H17NO6', 0.0009822648900126296, {'H': '17', 'C': '9', 'O': '6', 'N': 1}]]	0.000982264890013	1.88888888889	0.666666666667	0.111111111111	4.050915697E-06	0.0685799665755
acquired_cold_1	negative	259.11587471	766.684498265	5283199.134	[['259.1168207', 'C10H17N3O5', 0.0009459897630108571, {'H': '17', 'C': '10', 'O': '5', 'N': '3'}]]	0.000945989763011	1.7	0.5	0.3	10.4840721959	0.831416842804
acquired_cold_1	negative	259.11587471	766.684498265	7857504.591	[['259.1168207', 'C10H17N3O5', 0.0009459897630108571, {'H': '17', 'C': '10', 'O': '5', 'N': '3'}]]	0.000945989763011	1.7	0.5	0.3	15.5925686923	0.831416842804
acquired_cold_1	negative	259.11587471	766.684498265	7857504.591	[['259.1168207', 'C10H17N3O5', 0.0009459897630108571, {'H': '17', 'C': '10', 'O': '5', 'N': '3'}]]	0.000945989763011	1.7	0.5	0.3	15.5925686923	0.831416842804
acquired_cold_1	negative	259.11587471	766.684498265	0.63212114	[['259.1168207', 'C10H17N3O5', 0.0009459897630108571, {'H': '17', 'C': '10', 'O': '5', 'N': '3'}]]	0.000945989763011	1.7	0.5	0.3	1.25439217797E-06	0.831416842804
acquired_cold_1	negative	259.11587471	766.684498265	0.63212114	[['259.1168207', 'C10H17N3O5', 0.0009459897630108571, {'H': '17', 'C': '10', 'O': '5', 'N': '3'}]]	0.000945989763011	1.7	0.5	0.3	1.25439217797E-06	0.831416842804
acquired_cold_1	negative	266.073586235	464.47406321	126193.5913	[['266.072513', 'C12H14N2O3S', -0.0010732350889952613, {'H': '14', 'C': '12', 'O': '3', 'N': '2'}]]	-0.001073235089	1.16666666667	0.25	0.166666666667	0.250420756117	0.503690318602
acquired_cold_1	negative	266.073586235	464.47406321	117872.2969	[['266.072513', 'C12H14N2O3S', -0.0010732350889952613, {'H': '14', 'C': '12', 'O': '3', 'N': '2'}]]	-0.001073235089	1.16666666667	0.25	0.166666666667	0.233907834866	0.503690318602
acquired_cold_1	negative	266.073586235	464.47406321	117872.2969	[['266.072513', 'C12H14N2O3S', -0.0010732350889952613, {'H': '14', 'C': '12', 'O': '3', 'N': '2'}]]	-0.001073235089	1.16666666667	0.25	0.166666666667	0.233907834866	0.503690318602
acquired_cold_1	negative	266.073586235	464.47406321	0.62224979	[['266.072513', 'C12H14N2O3S', -0.0010732350889952613, {'H': '14', 'C': '12', 'O': '3', 'N': '2'}]]	-0.001073235089	1.16666666667	0.25	0.166666666667	1.23480329944E-06	0.503690318602
acquired_cold_1	negative	266.073586235	464.47406321	0.62224979	[['266.072513', 'C12H14N2O3S', -0.0010732350889952613, {'H': '14', 'C': '12', 'O': '3', 'N': '2'}]]	-0.001073235089	1.16666666667	0.25	0.166666666667	1.23480329944E-06	0.503690318602
acquired_cold_1	negative	266.117786327	361.247668059	222595.1918	[['266.1175552', 'C17H16NO2', -0.00023112667497571238, {'H': '16', 'C': '17', 'O': '2', 'N': 1}], ['266.1167611', 'C15H14N4O', -0.0010252266749830596]]	-0.000231126674976	0.941176470588	0.117647058824	0.0588235294118	0.441721767835	0.391748361063
acquired_cold_1	negative	266.117786327	361.247668059	1171792.729	[['266.1175552', 'C17H16NO2', -0.00023112667497571238, {'H': '16', 'C': '17', 'O': '2', 'N': 1}], ['266.1167611', 'C15H14N4O', -0.0010252266749830596]]	-0.000231126674976	0.941176470588	0.117647058824	0.0588235294118	2.32532585994	0.391748361063
acquired_cold_1	negative	266.117786327	361.247668059	1171792.729	[['266.1175552', 'C17H16NO2', -0.00023112667497571238, {'H': '16', 'C': '17', 'O': '2', 'N': 1}], ['266.1167611', 'C15H14N4O', -0.0010252266749830596]]	-0.000231126674976	0.941176470588	0.117647058824	0.0588235294118	2.32532585994	0.391748361063
acquired_cold_1	negative	266.117786327	361.247668059	0.256865407	[['266.1175552', 'C17H16NO2', -0.00023112667497571238, {'H': '16', 'C': '17', 'O': '2', 'N': 1}], ['266.1167611', 'C15H14N4O', -0.0010252266749830596]]	-0.000231126674976	0.941176470588	0.117647058824	0.0588235294118	5.09728178575E-07	0.391748361063
acquired_cold_1	negative	266.117786327	361.247668059	0.256865407	[['266.1175552', 'C17H16NO2', -0.00023112667497571238, {'H': '16', 'C': '17', 'O': '2', 'N': 1}], ['266.1167611', 'C15H14N4O', -0.0010252266749830596]]	-0.000231126674976	0.941176470588	0.117647058824	0.0588235294118	5.09728178575E-07	0.391748361063
acquired_cold_1	negative	270.113722076	344.97883301	5866930.661	[['270.1135056', 'C13H19ClN2O2', -0.00021647569400329303, {'H': '19', 'C': '13', 'O': '2', 'N': '2'}]]	-0.000216475694003	1.46153846154	0.153846153846	0.153846153846	11.6424391847	0.374105923394
acquired_cold_1	negative	270.113722076	344.97883301	5617220.614	[['270.1135056', 'C13H19ClN2O2', -0.00021647569400329303, {'H': '19', 'C': '13', 'O': '2', 'N': '2'}]]	-0.000216475694003	1.46153846154	0.153846153846	0.153846153846	11.1469102269	0.374105923394
acquired_cold_1	negative	270.113722076	344.97883301	5617220.614	[['270.1135056', 'C13H19ClN2O2', -0.00021647569400329303, {'H': '19', 'C': '13', 'O': '2', 'N': '2'}]]	-0.000216475694003	1.46153846154	0.153846153846	0.153846153846	11.1469102269	0.374105923394
acquired_cold_1	negative	270.113722076	344.97883301	1.516352638	[['270.1135056', 'C13H19ClN2O2', -0.00021647569400329303, {'H': '19', 'C': '13', 'O': '2', 'N': '2'}]]	-0.000216475694003	1.46153846154	0.153846153846	0.153846153846	3.00907653262E-06	0.374105923394
acquired_cold_1	negative	270.113722076	344.97883301	1.516352638	[['270.1135056', 'C13H19ClN2O2', -0.00021647569400329303, {'H': '19', 'C': '13', 'O': '2', 'N': '2'}]]	-0.000216475694003	1.46153846154	0.153846153846	0.153846153846	3.00907653262E-06	0.374105923394
acquired_cold_1	negative	276.073473663	531.081953388	2718674.095	[['276.0721768', 'C11H11F3N2O3', -0.0012968625699727454, {'H': '11', 'C': '11', 'O': '3', 'N': '2'}]]	-0.00129686256997	1	0.272727272727	0.181818181818	5.39498413106	0.575922014798
acquired_cold_1	negative	276.073473663	531.081953388	2927093.456	[['276.0721768', 'C11H11F3N2O3', -0.0012968625699727454, {'H': '11', 'C': '11', 'O': '3', 'N': '2'}]]	-0.00129686256997	1	0.272727272727	0.181818181818	5.80857513385	0.575922014798
acquired_cold_1	negative	276.073473663	531.081953388	2927093.456	[['276.0721768', 'C11H11F3N2O3', -0.0012968625699727454, {'H': '11', 'C': '11', 'O': '3', 'N': '2'}]]	-0.00129686256997	1	0.272727272727	0.181818181818	5.80857513385	0.575922014798
acquired_cold_1	negative	276.073473663	531.081953388	0.748599802	[['276.0721768', 'C11H11F3N2O3', -0.0012968625699727454, {'H': '11', 'C': '11', 'O': '3', 'N': '2'}]]	-0.00129686256997	1	0.272727272727	0.181818181818	1.48553445951E-06	0.575922014798
acquired_cold_1	negative	276.073473663	531.081953388	0.748599802	[['276.0721768', 'C11H11F3N2O3', -0.0012968625699727454, {'H': '11', 'C': '11', 'O': '3', 'N': '2'}]]	-0.00129686256997	1	0.272727272727	0.181818181818	1.48553445951E-06	0.575922014798
acquired_cold_1	negative	278.108713375	768.482729939	2236107.686	[['278.1095504', 'C22H14', 0.0008370253290195251, {'H': '14', 'C': '22', 'O': 0, 'N': 0}], ['278.1073576', 'C16H19ClO2', -0.0013557746709693674]]	0.00083702532902	0.636363636364	0	0	4.4373709609	0.833366901927
acquired_cold_1	negative	278.108713375	768.482729939	2450331.896	[['278.1095504', 'C22H14', 0.0008370253290195251, {'H': '14', 'C': '22', 'O': 0, 'N': 0}], ['278.1073576', 'C16H19ClO2', -0.0013557746709693674]]	0.00083702532902	0.636363636364	0	0	4.86248120695	0.833366901927
acquired_cold_1	negative	278.108713375	768.482729939	2450331.896	[['278.1095504', 'C22H14', 0.0008370253290195251, {'H': '14', 'C': '22', 'O': 0, 'N': 0}], ['278.1073576', 'C16H19ClO2', -0.0013557746709693674]]	0.00083702532902	0.636363636364	0	0	4.86248120695	0.833366901927
acquired_cold_1	negative	278.108713375	768.482729939	0.993384303	[['278.1095504', 'C22H14', 0.0008370253290195251, {'H': '14', 'C': '22', 'O': 0, 'N': 0}], ['278.1073576', 'C16H19ClO2', -0.0013557746709693674]]	0.00083702532902	0.636363636364	0	0	1.97128907823E-06	0.833366901927
acquired_cold_1	negative	278.108713375	768.482729939	0.993384303	[['278.1095504', 'C22H14', 0.0008370253290195251, {'H': '14', 'C': '22', 'O': 0, 'N': 0}], ['278.1073576', 'C16H19ClO2', -0.0013557746709693674]]	0.00083702532902	0.636363636364	0	0	1.97128907823E-06	0.833366901927
acquired_cold_1	negative	285.10456312	548.790566947	4510083.898	[['285.1034788', 'C13H19NO4S', -0.0010843199110013302, {'H': '19', 'C': '13', 'O': '4', 'N': 1}]]	-0.001084319911	1.46153846154	0.307692307692	0.0769230769231	8.94988888304	0.595125793679
acquired_cold_1	negative	285.10456312	548.790566947	5300144.38	[['285.1034788', 'C13H19NO4S', -0.0010843199110013302, {'H': '19', 'C': '13', 'O': '4', 'N': 1}]]	-0.001084319911	1.46153846154	0.307692307692	0.0769230769231	10.5176986366	0.595125793679
acquired_cold_1	negative	285.10456312	548.790566947	5300144.38	[['285.1034788', 'C13H19NO4S', -0.0010843199110013302, {'H': '19', 'C': '13', 'O': '4', 'N': 1}]]	-0.001084319911	1.46153846154	0.307692307692	0.0769230769231	10.5176986366	0.595125793679
acquired_cold_1	negative	285.10456312	548.790566947	0.718598513	[['285.1034788', 'C13H19NO4S', -0.0010843199110013302, {'H': '19', 'C': '13', 'O': '4', 'N': 1}]]	-0.001084319911	1.46153846154	0.307692307692	0.0769230769231	1.42599938013E-06	0.595125793679
acquired_cold_1	negative	285.10456312	548.790566947	0.718598513	[['285.1034788', 'C13H19NO4S', -0.0010843199110013302, {'H': '19', 'C': '13', 'O': '4', 'N': 1}]]	-0.001084319911	1.46153846154	0.307692307692	0.0769230769231	1.42599938013E-06	0.595125793679
acquired_cold_1	negative	294.090390927	793.176371384	457818.4418	[['294.0892089', 'C18H14O4', -0.0011820274399951813, {'H': '14', 'C': '18', 'O': '4', 'N': 0}]]	-0.00118202744	0.777777777778	0.222222222222	0	0.908502873868	0.860145465279
acquired_cold_1	negative	294.090390927	793.176371384	615267.1506	[['294.0892089', 'C18H14O4', -0.0011820274399951813, {'H': '14', 'C': '18', 'O': '4', 'N': 0}]]	-0.00118202744	0.777777777778	0.222222222222	0	1.22094682844	0.860145465279
acquired_cold_1	negative	294.090390927	793.176371384	615267.1506	[['294.0892089', 'C18H14O4', -0.0011820274399951813, {'H': '14', 'C': '18', 'O': '4', 'N': 0}]]	-0.00118202744	0.777777777778	0.222222222222	0	1.22094682844	0.860145465279
acquired_cold_1	negative	294.090390927	793.176371384	0.967395122	[['294.0892089', 'C18H14O4', -0.0011820274399951813, {'H': '14', 'C': '18', 'O': '4', 'N': 0}]]	-0.00118202744	0.777777777778	0.222222222222	0	1.9197156957E-06	0.860145465279
acquired_cold_1	negative	294.090390927	793.176371384	0.967395122	[['294.0892089', 'C18H14O4', -0.0011820274399951813, {'H': '14', 'C': '18', 'O': '4', 'N': 0}]]	-0.00118202744	0.777777777778	0.222222222222	0	1.9197156957E-06	0.860145465279
acquired_cold_1	negative	302.111583255	527.36199144	4996657.344	[['302.1114009', 'C12H18N2O7', -0.00018235531598520538, {'H': '18', 'C': '12', 'O': '7', 'N': '2'}]]	-0.000182355315985	1.5	0.583333333333	0.166666666667	9.91545368708	0.571887970775
acquired_cold_1	negative	302.111583255	527.36199144	10651411.73	[['302.1114009', 'C12H18N2O7', -0.00018235531598520538, {'H': '18', 'C': '12', 'O': '7', 'N': '2'}]]	-0.000182355315985	1.5	0.583333333333	0.166666666667	21.1368465836	0.571887970775
acquired_cold_1	negative	302.111583255	527.36199144	10651411.73	[['302.1114009', 'C12H18N2O7', -0.00018235531598520538, {'H': '18', 'C': '12', 'O': '7', 'N': '2'}]]	-0.000182355315985	1.5	0.583333333333	0.166666666667	21.1368465836	0.571887970775
acquired_cold_1	negative	302.111583255	527.36199144	1.335892695	[['302.1114009', 'C12H18N2O7', -0.00018235531598520538, {'H': '18', 'C': '12', 'O': '7', 'N': '2'}]]	-0.000182355315985	1.5	0.583333333333	0.166666666667	2.65096868491E-06	0.571887970775
acquired_cold_1	negative	302.111583255	527.36199144	1.335892695	[['302.1114009', 'C12H18N2O7', -0.00018235531598520538, {'H': '18', 'C': '12', 'O': '7', 'N': '2'}]]	-0.000182355315985	1.5	0.583333333333	0.166666666667	2.65096868491E-06	0.571887970775
acquired_cold_1	negative	302.119547774	710.971694931	2654483.145	[['302.118591', 'C17H19ClN2O', -0.0009567739489853011, {'H': '19', 'C': '17', 'O': 1, 'N': '2'}]]	-0.000956773948985	1.11764705882	0.0588235294118	0.117647058824	5.26760249409	0.771000122293
acquired_cold_1	negative	302.119547774	710.971694931	3384058.056	[['302.118591', 'C17H19ClN2O', -0.0009567739489853011, {'H': '19', 'C': '17', 'O': 1, 'N': '2'}]]	-0.000956773948985	1.11764705882	0.0588235294118	0.117647058824	6.71538362921	0.771000122293
acquired_cold_1	negative	302.119547774	710.971694931	3384058.056	[['302.118591', 'C17H19ClN2O', -0.0009567739489853011, {'H': '19', 'C': '17', 'O': 1, 'N': '2'}]]	-0.000956773948985	1.11764705882	0.0588235294118	0.117647058824	6.71538362921	0.771000122293
acquired_cold_1	negative	302.119547774	710.971694931	1.509812566	[['302.118591', 'C17H19ClN2O', -0.0009567739489853011, {'H': '19', 'C': '17', 'O': 1, 'N': '2'}]]	-0.000956773948985	1.11764705882	0.0588235294118	0.117647058824	2.99609830006E-06	0.771000122293
acquired_cold_1	negative	302.119547774	710.971694931	1.509812566	[['302.118591', 'C17H19ClN2O', -0.0009567739489853011, {'H': '19', 'C': '17', 'O': 1, 'N': '2'}]]	-0.000956773948985	1.11764705882	0.0588235294118	0.117647058824	2.99609830006E-06	0.771000122293
acquired_cold_1	negative	308.105465693	675.903950207	3977736.064	[['308.104859', 'C19H16O4', -0.0006066931580335222, {'H': '16', 'C': '19', 'O': '4', 'N': 0}]]	-0.000606693158034	0.842105263158	0.210526315789	0	7.8934885878	0.732971554259
acquired_cold_1	negative	308.105465693	675.903950207	5012528.959	[['308.104859', 'C19H16O4', -0.0006066931580335222, {'H': '16', 'C': '19', 'O': '4', 'N': 0}]]	-0.000606693158034	0.842105263158	0.210526315789	0	9.94694959577	0.732971554259
acquired_cold_1	negative	308.105465693	675.903950207	5012528.959	[['308.104859', 'C19H16O4', -0.0006066931580335222, {'H': '16', 'C': '19', 'O': '4', 'N': 0}]]	-0.000606693158034	0.842105263158	0.210526315789	0	9.94694959577	0.732971554259
acquired_cold_1	negative	308.105465693	675.903950207	0.51717351	[['308.104859', 'C19H16O4', -0.0006066931580335222, {'H': '16', 'C': '19', 'O': '4', 'N': 0}]]	-0.000606693158034	0.842105263158	0.210526315789	0	1.02628810293E-06	0.732971554259
acquired_cold_1	negative	308.105465693	675.903950207	0.51717351	[['308.104859', 'C19H16O4', -0.0006066931580335222, {'H': '16', 'C': '19', 'O': '4', 'N': 0}]]	-0.000606693158034	0.842105263158	0.210526315789	0	1.02628810293E-06	0.732971554259
acquired_cold_1	negative	322.120765748	607.614859349	3208453.404	[['322.1205091', 'C20H18O4', -0.000256648160984696, {'H': '18', 'C': '20', 'O': '4', 'N': 0}], ['322.1198571', 'C12H22N2O6S', -0.0009086481609870134]]	-0.000256648160985	0.9	0.2	0	6.36691070536	0.658916711038
acquired_cold_1	negative	322.120765748	607.614859349	3811321.603	[['322.1205091', 'C20H18O4', -0.000256648160984696, {'H': '18', 'C': '20', 'O': '4', 'N': 0}], ['322.1198571', 'C12H22N2O6S', -0.0009086481609870134]]	-0.000256648160985	0.9	0.2	0	7.56325283872	0.658916711038
acquired_cold_1	negative	322.120765748	607.614859349	3811321.603	[['322.1205091', 'C20H18O4', -0.000256648160984696, {'H': '18', 'C': '20', 'O': '4', 'N': 0}], ['322.1198571', 'C12H22N2O6S', -0.0009086481609870134]]	-0.000256648160985	0.9	0.2	0	7.56325283872	0.658916711038
acquired_cold_1	negative	322.120765748	607.614859349	0.912302157	[['322.1205091', 'C20H18O4', -0.000256648160984696, {'H': '18', 'C': '20', 'O': '4', 'N': 0}], ['322.1198571', 'C12H22N2O6S', -0.0009086481609870134]]	-0.000256648160985	0.9	0.2	0	1.81038825831E-06	0.658916711038
acquired_cold_1	negative	322.120765748	607.614859349	0.912302157	[['322.1205091', 'C20H18O4', -0.000256648160984696, {'H': '18', 'C': '20', 'O': '4', 'N': 0}], ['322.1198571', 'C12H22N2O6S', -0.0009086481609870134]]	-0.000256648160985	0.9	0.2	0	1.81038825831E-06	0.658916711038
acquired_cold_1	negative	323.118294686	497.885341455	3896622.348	[['323.1191289', 'C16H21NO4S', 0.0008342138530110788, {'H': '21', 'C': '16', 'O': '4', 'N': 1}]]	0.000834213853011	1.3125	0.25	0.0625	7.73252511982	0.539922562159
acquired_cold_1	negative	323.118294686	497.885341455	3936411.663	[['323.1191289', 'C16H21NO4S', 0.0008342138530110788, {'H': '21', 'C': '16', 'O': '4', 'N': 1}]]	0.000834213853011	1.3125	0.25	0.0625	7.81148372814	0.539922562159
acquired_cold_1	negative	323.118294686	497.885341455	3936411.663	[['323.1191289', 'C16H21NO4S', 0.0008342138530110788, {'H': '21', 'C': '16', 'O': '4', 'N': 1}]]	0.000834213853011	1.3125	0.25	0.0625	7.81148372814	0.539922562159
acquired_cold_1	negative	323.118294686	497.885341455	0.647258273	[['323.1191289', 'C16H21NO4S', 0.0008342138530110788, {'H': '21', 'C': '16', 'O': '4', 'N': 1}]]	0.000834213853011	1.3125	0.25	0.0625	1.28443056781E-06	0.539922562159
acquired_cold_1	negative	323.118294686	497.885341455	0.647258273	[['323.1191289', 'C16H21NO4S', 0.0008342138530110788, {'H': '21', 'C': '16', 'O': '4', 'N': 1}]]	0.000834213853011	1.3125	0.25	0.0625	1.28443056781E-06	0.539922562159
acquired_cold_1	negative	338.116069914	718.150649678	2037207.816	[['338.1154237', 'C20H18O5', -0.0006462136339564495, {'H': '18', 'C': '20', 'O': '5', 'N': 0}]]	-0.000646213633956	0.9	0.25	0	4.04267060153	0.778785207166
acquired_cold_1	negative	338.116069914	718.150649678	2219218.811	[['338.1154237', 'C20H18O5', -0.0006462136339564495, {'H': '18', 'C': '20', 'O': '5', 'N': 0}]]	-0.000646213633956	0.9	0.25	0	4.40385638378	0.778785207166
acquired_cold_1	negative	338.116069914	718.150649678	2219218.811	[['338.1154237', 'C20H18O5', -0.0006462136339564495, {'H': '18', 'C': '20', 'O': '5', 'N': 0}]]	-0.000646213633956	0.9	0.25	0	4.40385638378	0.778785207166
acquired_cold_1	negative	338.116069914	718.150649678	0.527531746	[['338.1154237', 'C20H18O5', -0.0006462136339564495, {'H': '18', 'C': '20', 'O': '5', 'N': 0}]]	-0.000646213633956	0.9	0.25	0	1.0468431665E-06	0.778785207166
acquired_cold_1	negative	338.116069914	718.150649678	0.527531746	[['338.1154237', 'C20H18O5', -0.0006462136339564495, {'H': '18', 'C': '20', 'O': '5', 'N': 0}]]	-0.000646213633956	0.9	0.25	0	1.0468431665E-06	0.778785207166
acquired_cold_1	negative	339.129143227	493.622288007	2168240.887	[['339.1297136', 'C24H20P', 0.0005703727180161877, {'H': '20', 'C': '24', 'O': 0, 'N': 0}]]	0.000570372718016	0.833333333333	0	0	4.30269490528	0.535299572589
acquired_cold_1	negative	339.129143227	493.622288007	2845571.592	[['339.1297136', 'C24H20P', 0.0005703727180161877, {'H': '20', 'C': '24', 'O': 0, 'N': 0}]]	0.000570372718016	0.833333333333	0	0	5.64680172988	0.535299572589
acquired_cold_1	negative	339.129143227	493.622288007	2845571.592	[['339.1297136', 'C24H20P', 0.0005703727180161877, {'H': '20', 'C': '24', 'O': 0, 'N': 0}]]	0.000570372718016	0.833333333333	0	0	5.64680172988	0.535299572589
acquired_cold_1	negative	339.129143227	493.622288007	0.658826931	[['339.1297136', 'C24H20P', 0.0005703727180161877, {'H': '20', 'C': '24', 'O': 0, 'N': 0}]]	0.000570372718016	0.833333333333	0	0	1.30738761384E-06	0.535299572589
acquired_cold_1	negative	339.129143227	493.622288007	0.658826931	[['339.1297136', 'C24H20P', 0.0005703727180161877, {'H': '20', 'C': '24', 'O': 0, 'N': 0}]]	0.000570372718016	0.833333333333	0	0	1.30738761384E-06	0.535299572589
acquired_cold_1	negative	340.131453725	494.555890332	1420175.882	[['340.1310738', 'C20H20O5', -0.0003799254919840678, {'H': '20', 'C': '20', 'O': '5', 'N': 0}]]	-0.000379925491984	1	0.25	0	2.81822170623	0.536312000387
acquired_cold_1	negative	340.131453725	494.555890332	1535435.452	[['340.1310738', 'C20H20O5', -0.0003799254919840678, {'H': '20', 'C': '20', 'O': '5', 'N': 0}]]	-0.000379925491984	1	0.25	0	3.04694480042	0.536312000387
acquired_cold_1	negative	340.131453725	494.555890332	1535435.452	[['340.1310738', 'C20H20O5', -0.0003799254919840678, {'H': '20', 'C': '20', 'O': '5', 'N': 0}]]	-0.000379925491984	1	0.25	0	3.04694480042	0.536312000387
acquired_cold_1	negative	340.131453725	494.555890332	0.894222876	[['340.1310738', 'C20H20O5', -0.0003799254919840678, {'H': '20', 'C': '20', 'O': '5', 'N': 0}]]	-0.000379925491984	1	0.25	0	1.77451141883E-06	0.536312000387
acquired_cold_1	negative	340.131453725	494.555890332	0.894222876	[['340.1310738', 'C20H20O5', -0.0003799254919840678, {'H': '20', 'C': '20', 'O': '5', 'N': 0}]]	-0.000379925491984	1	0.25	0	1.77451141883E-06	0.536312000387
acquired_cold_1	negative	370.083995677	378.24091118	4783097.282	[['370.0850891', 'C18H19NaO5S', 0.0010934229910048998, {'H': '19', 'C': '18', 'O': '5', 'N': 0}]]	0.001093422991	1.05555555556	0.277777777778	0	9.49166138787	0.410176369685
acquired_cold_1	negative	370.083995677	378.24091118	4394725.851	[['370.0850891', 'C18H19NaO5S', 0.0010934229910048998, {'H': '19', 'C': '18', 'O': '5', 'N': 0}]]	0.001093422991	1.05555555556	0.277777777778	0	8.72097036938	0.410176369685
acquired_cold_1	negative	370.083995677	378.24091118	4394725.851	[['370.0850891', 'C18H19NaO5S', 0.0010934229910048998, {'H': '19', 'C': '18', 'O': '5', 'N': 0}]]	0.001093422991	1.05555555556	0.277777777778	0	8.72097036938	0.410176369685
acquired_cold_1	negative	370.083995677	378.24091118	0.884518006	[['370.0850891', 'C18H19NaO5S', 0.0010934229910048998, {'H': '19', 'C': '18', 'O': '5', 'N': 0}]]	0.001093422991	1.05555555556	0.277777777778	0	1.75525290611E-06	0.410176369685
acquired_cold_1	negative	370.083995677	378.24091118	0.884518006	[['370.0850891', 'C18H19NaO5S', 0.0010934229910048998, {'H': '19', 'C': '18', 'O': '5', 'N': 0}]]	0.001093422991	1.05555555556	0.277777777778	0	1.75525290611E-06	0.410176369685
acquired_cold_1	negative	382.084659237	731.920207863	23077238.1	[['382.0850979', 'C18H20Cl2N2O3', 0.0004386629860277935, {'H': '20', 'C': '18', 'O': '3', 'N': '2'}], ['382.0859741', 'C12H18N2O12', 0.0013148629860211258]]	0.000438662986028	1.11111111111	0.166666666667	0.111111111111	45.7948724223	0.793717350204
acquired_cold_1	negative	382.084659237	731.920207863	28403600.37	[['382.0850979', 'C18H20Cl2N2O3', 0.0004386629860277935, {'H': '20', 'C': '18', 'O': '3', 'N': '2'}], ['382.0859741', 'C12H18N2O12', 0.0013148629860211258]]	0.000438662986028	1.11111111111	0.166666666667	0.111111111111	56.3645982955	0.793717350204
acquired_cold_1	negative	382.084659237	731.920207863	28403600.37	[['382.0850979', 'C18H20Cl2N2O3', 0.0004386629860277935, {'H': '20', 'C': '18', 'O': '3', 'N': '2'}], ['382.0859741', 'C12H18N2O12', 0.0013148629860211258]]	0.000438662986028	1.11111111111	0.166666666667	0.111111111111	56.3645982955	0.793717350204
acquired_cold_1	negative	382.084659237	731.920207863	0.44612936	[['382.0850979', 'C18H20Cl2N2O3', 0.0004386629860277935, {'H': '20', 'C': '18', 'O': '3', 'N': '2'}], ['382.0859741', 'C12H18N2O12', 0.0013148629860211258]]	0.000438662986028	1.11111111111	0.166666666667	0.111111111111	8.8530685676E-07	0.793717350204
acquired_cold_1	negative	382.084659237	731.920207863	0.44612936	[['382.0850979', 'C18H20Cl2N2O3', 0.0004386629860277935, {'H': '20', 'C': '18', 'O': '3', 'N': '2'}], ['382.0859741', 'C12H18N2O12', 0.0013148629860211258]]	0.000438662986028	1.11111111111	0.166666666667	0.111111111111	8.8530685676E-07	0.793717350204
acquired_cold_1	negative	394.140159274	278.77561502	502303.5167	[['394.1416384', 'C23H22O6', 0.0014791258619766268, {'H': '22', 'C': '23', 'O': '6', 'N': 0}]]	0.00147912586198	0.95652173913	0.260869565217	0	0.996779829755	0.302313066476
acquired_cold_1	negative	394.140159274	278.77561502	640046.7359	[['394.1416384', 'C23H22O6', 0.0014791258619766268, {'H': '22', 'C': '23', 'O': '6', 'N': 0}]]	0.00147912586198	0.95652173913	0.260869565217	0	1.27011986824	0.302313066476
acquired_cold_1	negative	394.140159274	278.77561502	640046.7359	[['394.1416384', 'C23H22O6', 0.0014791258619766268, {'H': '22', 'C': '23', 'O': '6', 'N': 0}]]	0.00147912586198	0.95652173913	0.260869565217	0	1.27011986824	0.302313066476
acquired_cold_1	negative	394.140159274	278.77561502	0.351733415	[['394.1416384', 'C23H22O6', 0.0014791258619766268, {'H': '22', 'C': '23', 'O': '6', 'N': 0}]]	0.00147912586198	0.95652173913	0.260869565217	0	6.97985902679E-07	0.302313066476
acquired_cold_1	negative	394.140159274	278.77561502	0.351733415	[['394.1416384', 'C23H22O6', 0.0014791258619766268, {'H': '22', 'C': '23', 'O': '6', 'N': 0}]]	0.00147912586198	0.95652173913	0.260869565217	0	6.97985902679E-07	0.302313066476
acquired_cold_1	negative	412.110813295	293.95244398	1	[['412.1124597', 'C21H21ClN4OS', 0.0016464053069853435, {'H': '21', 'C': '21', 'O': 1, 'N': '4'}]]	0.00164640530699	1	0.047619047619	0.190476190476	1.98441738235E-06	0.318771298312
acquired_cold_1	negative	550.497401135	514.416576261	6239096.472	[['550.4961106', 'C35H66O4', -0.0012905353941050635, {'H': '66', 'C': '35', 'O': '4', 'N': 0}]]	-0.00129053539411	1.88571428571	0.114285714286	0	12.3809714892	0.557849554397
acquired_cold_1	negative	550.497401135	514.416576261	7036247.273	[['550.4961106', 'C35H66O4', -0.0012905353941050635, {'H': '66', 'C': '35', 'O': '4', 'N': 0}]]	-0.00129053539411	1.88571428571	0.114285714286	0	13.962851395	0.557849554397
acquired_cold_1	negative	550.497401135	514.416576261	7036247.273	[['550.4961106', 'C35H66O4', -0.0012905353941050635, {'H': '66', 'C': '35', 'O': '4', 'N': 0}]]	-0.00129053539411	1.88571428571	0.114285714286	0	13.962851395	0.557849554397
acquired_cold_1	negative	550.497401135	514.416576261	0.772187738	[['550.4961106', 'C35H66O4', -0.0012905353941050635, {'H': '66', 'C': '35', 'O': '4', 'N': 0}]]	-0.00129053539411	1.88571428571	0.114285714286	0	1.53234276972E-06	0.557849554397
acquired_cold_1	negative	550.497401135	514.416576261	0.772187738	[['550.4961106', 'C35H66O4', -0.0012905353941050635, {'H': '66', 'C': '35', 'O': '4', 'N': 0}]]	-0.00129053539411	1.88571428571	0.114285714286	0	1.53234276972E-06	0.557849554397
acquired_cold_1	negative	596.17292903	510.108375093	15190042.4	[['596.1741204', 'C27H32O15', 0.0011913696919236827, {'H': '32', 'C': '27', 'O': '15', 'N': 0}]]	0.00119136969192	1.18518518519	0.555555555556	0	30.1433841772	0.553177605217
acquired_cold_1	negative	596.17292903	510.108375093	18748041.74	[['596.1741204', 'C27H32O15', 0.0011913696919236827, {'H': '32', 'C': '27', 'O': '15', 'N': 0}]]	0.00119136969192	1.18518518519	0.555555555556	0	37.2039399139	0.553177605217
acquired_cold_1	negative	596.17292903	510.108375093	18748041.74	[['596.1741204', 'C27H32O15', 0.0011913696919236827, {'H': '32', 'C': '27', 'O': '15', 'N': 0}]]	0.00119136969192	1.18518518519	0.555555555556	0	37.2039399139	0.553177605217
acquired_cold_1	negative	596.17292903	510.108375093	0.687629574	[['596.1741204', 'C27H32O15', 0.0011913696919236827, {'H': '32', 'C': '27', 'O': '15', 'N': 0}]]	0.00119136969192	1.18518518519	0.555555555556	0	1.36454407926E-06	0.553177605217
acquired_cold_1	negative	596.17292903	510.108375093	0.687629574	[['596.1741204', 'C27H32O15', 0.0011913696919236827, {'H': '32', 'C': '27', 'O': '15', 'N': 0}]]	0.00119136969192	1.18518518519	0.555555555556	0	1.36454407926E-06	0.553177605217
acquired_cold_2	negative	151.027252644	478.986287339	3325815.22	[['151.026943', 'C7H5NO3', -0.00030964440799152726, {'H': '5', 'C': '7', 'O': '3', 'N': 1}]]	-0.000309644407992	0.714285714286	0.428571428571	0.142857142857	6.59980553305	0.519427832004
acquired_cold_2	negative	153.043243309	295.704858962	31919972.08	[['153.0425931', 'C7H7NO3', -0.0006502092489881761, {'H': '7', 'C': '7', 'O': '3', 'N': 1}]]	-0.000650209248988	1	0.428571428571	0.142857142857	63.3425474397	0.320671672371
acquired_cold_2	negative	154.040185969	311.833276359	38314213.91	[['154.0394954', 'C4H11O4P', -0.0006905693499845711, {'H': '11', 'C': '4', 'O': '4', 'N': 0}]]	-0.000690569349985	2.75	1	0	76.0313920741	0.338161836712
acquired_cold_2	negative	162.089577556	152.040443946	2300163.677	[['162.0892089', 'C7H14O4', -0.00036865556100451613, {'H': '14', 'C': '7', 'O': '4', 'N': 0}]]	-0.000368655561005	2	0.571428571429	0	4.56448478289	0.164877451116
acquired_cold_2	negative	187.083592016	480.379795321	1558034.472	[['187.0844579', 'C8H13NO4', 0.0008658838970063698, {'H': '13', 'C': '8', 'O': '4', 'N': 1}]]	0.000865883897006	1.625	0.5	0.125	3.09179068854	0.520938995997
acquired_cold_2	negative	189.078126744	439.409526095	13764096.58	[['189.0789786', 'C11H11NO2', 0.0008518564590076494, {'H': '11', 'C': '11', 'O': '2', 'N': 1}]]	0.000851856459008	1	0.181818181818	0.0909090909091	27.3137125057	0.476509544292
acquired_cold_2	negative	193.057748469	513.214176912	2342799.121	[['193.0586371', 'C6H11NO6', 0.0008886309830131722, {'H': '11', 'C': '6', 'O': '6', 'N': 1}]]	0.000888630983013	1.83333333333	1	0.166666666667	4.64909129907	0.556545634633
acquired_cold_2	negative	194.058394907	745.96277729	1026299.822	[['194.0579088', 'C10H10O4', -0.00048610695597517406, {'H': '10', 'C': '10', 'O': '4', 'N': 0}]]	-0.000486106955975	1	0.4	0	2.03660720628	0.808945555241
acquired_cold_2	negative	202.094547934	404.380901513	570724.3075	[['202.0953569', 'C8H14N2O4', 0.0008089656210188423, {'H': '14', 'C': '8', 'O': '4', 'N': '2'}]]	0.000808965621019	1.75	0.5	0.25	1.13255523633	0.438523399374
acquired_cold_2	negative	204.110235813	922.142129909	530746.9981	[['204.111007', 'C8H16N2O4', 0.000771186995024209, {'H': '16', 'C': '8', 'O': '4', 'N': '2'}]]	0.000771186995024	2	0.5	0.25	1.05322356866	1
acquired_cold_2	negative	211.083450871	556.414916611	13259981.33	[['211.0844579', 'C10H13NO4', 0.0010070289640111696, {'H': '13', 'C': '10', 'O': '4', 'N': 1}]]	0.00100702896401	1.3	0.4	0.1	26.3133374409	0.603393878844
acquired_cold_2	negative	219.052458208	452.870979892	561172031.6	[['219.0531578', 'C11H9NO4', 0.0006995918140262347, {'H': '9', 'C': '11', 'O': '4', 'N': 1}]]	0.000699591814026	0.818181818182	0.363636363636	0.0909090909091	1113.599534	0.491107569216
acquired_cold_2	negative	230.093410186	75.4572130113	1733768.031	[['230.0942943', 'C14H14O3', 0.0008841138660216075, {'H': '14', 'C': '14', 'O': '3', 'N': 0}]]	0.000884113866022	1	0.214285714286	0	3.44051941768	0.0818281808887
acquired_cold_2	negative	235.047160668	530.800481028	25486450.73	[['235.0480724', 'C11H9NO5', 0.0009117316849938106, {'H': '9', 'C': '11', 'O': '5', 'N': 1}]]	0.000911731684994	0.818181818182	0.454545454545	0.0909090909091	50.575755843	0.575616777297
acquired_cold_2	negative	235.104605035	63.240476447	49002.29349	[['235.1055873', 'C9H17NO6', 0.0009822648900126296, {'H': '17', 'C': '9', 'O': '6', 'N': 1}]]	0.000982264890013	1.88888888889	0.666666666667	0.111111111111	0.0972410029765	0.0685799665755
acquired_cold_2	negative	259.11587471	766.684498265	9577640.423	[['259.1168207', 'C10H17N3O5', 0.0009459897630108571, {'H': '17', 'C': '10', 'O': '5', 'N': '3'}]]	0.000945989763011	1.7	0.5	0.3	19.0060361373	0.831416842804
acquired_cold_2	negative	266.073586235	464.47406321	198352.8285	[['266.072513', 'C12H14N2O3S', -0.0010732350889952613, {'H': '14', 'C': '12', 'O': '3', 'N': '2'}]]	-0.001073235089	1.16666666667	0.25	0.166666666667	0.393614800714	0.503690318602
acquired_cold_2	negative	266.117786327	361.247668059	1200780.808	[['266.1175552', 'C17H16NO2', -0.00023112667497571238, {'H': '16', 'C': '17', 'O': '2', 'N': 1}], ['266.1167611', 'C15H14N4O', -0.0010252266749830596]]	-0.000231126674976	0.941176470588	0.117647058824	0.0588235294118	2.38285030779	0.391748361063
acquired_cold_2	negative	270.113722076	344.97883301	5722491.754	[['270.1135056', 'C13H19ClN2O2', -0.00021647569400329303, {'H': '19', 'C': '13', 'O': '2', 'N': '2'}]]	-0.000216475694003	1.46153846154	0.153846153846	0.153846153846	11.355812107	0.374105923394
acquired_cold_2	negative	276.073473663	531.081953388	3200868.478	[['276.0721768', 'C11H11F3N2O3', -0.0012968625699727454, {'H': '11', 'C': '11', 'O': '3', 'N': '2'}]]	-0.00129686256997	1	0.272727272727	0.181818181818	6.35185904636	0.575922014798
acquired_cold_2	negative	278.108713375	768.482729939	2447200.06	[['278.1095504', 'C22H14', 0.0008370253290195251, {'H': '14', 'C': '22', 'O': 0, 'N': 0}], ['278.1073576', 'C16H19ClO2', -0.0013557746709693674]]	0.00083702532902	0.636363636364	0	0	4.85626633715	0.833366901927
acquired_cold_2	negative	285.10456312	548.790566947	5561833.162	[['285.1034788', 'C13H19NO4S', -0.0010843199110013302, {'H': '19', 'C': '13', 'O': '4', 'N': 1}]]	-0.001084319911	1.46153846154	0.307692307692	0.0769230769231	11.0369984044	0.595125793679
acquired_cold_2	negative	294.090390927	793.176371384	659869.3861	[['294.0892089', 'C18H14O4', -0.0011820274399951813, {'H': '14', 'C': '18', 'O': '4', 'N': 0}]]	-0.00118202744	0.777777777778	0.222222222222	0	1.30945627986	0.860145465279
acquired_cold_2	negative	302.111583255	527.36199144	10989905.22	[['302.1114009', 'C12H18N2O7', -0.00018235531598520538, {'H': '18', 'C': '12', 'O': '7', 'N': '2'}]]	-0.000182355315985	1.5	0.583333333333	0.166666666667	21.8085589489	0.571887970775
acquired_cold_2	negative	302.119547774	710.971694931	3768367.354	[['302.118591', 'C17H19ClN2O', -0.0009567739489853011, {'H': '19', 'C': '17', 'O': 1, 'N': '2'}]]	-0.000956773948985	1.11764705882	0.0588235294118	0.117647058824	7.47801368036	0.771000122293
acquired_cold_2	negative	308.105465693	675.903950207	5183377.143	[['308.104859', 'C19H16O4', -0.0006066931580335222, {'H': '16', 'C': '19', 'O': '4', 'N': 0}]]	-0.000606693158034	0.842105263158	0.210526315789	0	10.2859837018	0.732971554259
acquired_cold_2	negative	322.120765748	607.614859349	3871299.124	[['322.1205091', 'C20H18O4', -0.000256648160984696, {'H': '18', 'C': '20', 'O': '4', 'N': 0}], ['322.1198571', 'C12H22N2O6S', -0.0009086481609870134]]	-0.000256648160985	0.9	0.2	0	7.68227327394	0.658916711038
acquired_cold_2	negative	323.118294686	497.885341455	4459770.377	[['323.1191289', 'C16H21NO4S', 0.0008342138530110788, {'H': '21', 'C': '16', 'O': '4', 'N': 1}]]	0.000834213853011	1.3125	0.25	0.0625	8.85004585741	0.539922562159
acquired_cold_2	negative	338.116069914	718.150649678	2151095.928	[['338.1154237', 'C20H18O5', -0.0006462136339564495, {'H': '18', 'C': '20', 'O': '5', 'N': 0}]]	-0.000646213633956	0.9	0.25	0	4.26867215062	0.778785207166
acquired_cold_2	negative	339.129143227	493.622288007	3117280.627	[['339.1297136', 'C24H20P', 0.0005703727180161877, {'H': '20', 'C': '24', 'O': 0, 'N': 0}]]	0.000570372718016	0.833333333333	0	0	6.18598586188	0.535299572589
acquired_cold_2	negative	340.131453725	494.555890332	1487278.708	[['340.1310738', 'C20H20O5', -0.0003799254919840678, {'H': '20', 'C': '20', 'O': '5', 'N': 0}]]	-0.000379925491984	1	0.25	0	2.95138172055	0.536312000387
acquired_cold_2	negative	370.083995677	378.24091118	4787932.836	[['370.0850891', 'C18H19NaO5S', 0.0010934229910048998, {'H': '19', 'C': '18', 'O': '5', 'N': 0}]]	0.001093422991	1.05555555556	0.277777777778	0	9.50125714528	0.410176369685
acquired_cold_2	negative	382.084659237	731.920207863	29475065.81	[['382.0850979', 'C18H20Cl2N2O3', 0.0004386629860277935, {'H': '20', 'C': '18', 'O': '3', 'N': '2'}], ['382.0859741', 'C12H18N2O12', 0.0013148629860211258]]	0.000438662986028	1.11111111111	0.166666666667	0.111111111111	58.4908329393	0.793717350204
acquired_cold_2	negative	394.140159274	278.77561502	603092.1097	[['394.1416384', 'C23H22O6', 0.0014791258619766268, {'H': '22', 'C': '23', 'O': '6', 'N': 0}]]	0.00147912586198	0.95652173913	0.260869565217	0	1.19678646565	0.302313066476
acquired_cold_2	negative	550.497401135	514.416576261	6965936.689	[['550.4961106', 'C35H66O4', -0.0012905353941050635, {'H': '66', 'C': '35', 'O': '4', 'N': 0}]]	-0.00129053539411	1.88571428571	0.114285714286	0	13.82332585	0.557849554397
acquired_cold_2	negative	596.17292903	510.108375093	19734855.43	[['596.1741204', 'C27H32O15', 0.0011913696919236827, {'H': '32', 'C': '27', 'O': '15', 'N': 0}]]	0.00119136969192	1.18518518519	0.555555555556	0	39.1621901534	0.553177605217
acquired_cold_3	negative	151.027252644	478.986287339	2740044.015	[['151.026943', 'C7H5NO3', -0.00030964440799152726, {'H': '5', 'C': '7', 'O': '3', 'N': 1}]]	-0.000309644407992	0.714285714286	0.428571428571	0.142857142857	5.43739097177	0.519427832004
acquired_cold_3	negative	153.043243309	295.704858962	31961428.2	[['153.0425931', 'C7H7NO3', -0.0006502092489881761, {'H': '7', 'C': '7', 'O': '3', 'N': 1}]]	-0.000650209248988	1	0.428571428571	0.142857142857	63.4248136848	0.320671672371
acquired_cold_3	negative	154.040185969	311.833276359	39221156.6	[['154.0394954', 'C4H11O4P', -0.0006905693499845711, {'H': '11', 'C': '4', 'O': '4', 'N': 0}]]	-0.000690569349985	2.75	1	0	77.8311449129	0.338161836712
acquired_cold_3	negative	162.089577556	152.040443946	1895535.866	[['162.0892089', 'C7H14O4', -0.00036865556100451613, {'H': '14', 'C': '7', 'O': '4', 'N': 0}]]	-0.000368655561005	2	0.571428571429	0	3.76153432136	0.164877451116
acquired_cold_3	negative	187.083592016	480.379795321	1593160.903	[['187.0844579', 'C8H13NO4', 0.0008658838970063698, {'H': '13', 'C': '8', 'O': '4', 'N': 1}]]	0.000865883897006	1.625	0.5	0.125	3.16149618879	0.520938995997
acquired_cold_3	negative	189.078126744	439.409526095	14864969.33	[['189.0789786', 'C11H11NO2', 0.0008518564590076494, {'H': '11', 'C': '11', 'O': '2', 'N': 1}]]	0.000851856459008	1	0.181818181818	0.0909090909091	29.4983035265	0.476509544292
acquired_cold_3	negative	193.057748469	513.214176912	2383075.433	[['193.0586371', 'C6H11NO6', 0.0008886309830131722, {'H': '11', 'C': '6', 'O': '6', 'N': 1}]]	0.000888630983013	1.83333333333	1	0.166666666667	4.72901631269	0.556545634633
acquired_cold_3	negative	194.058394907	745.96277729	1561593.452	[['194.0579088', 'C10H10O4', -0.00048610695597517406, {'H': '10', 'C': '10', 'O': '4', 'N': 0}]]	-0.000486106955975	1	0.4	0	3.09885319031	0.808945555241
acquired_cold_3	negative	202.094547934	404.380901513	766517.3832	[['202.0953569', 'C8H14N2O4', 0.0008089656210188423, {'H': '14', 'C': '8', 'O': '4', 'N': '2'}]]	0.000808965621019	1.75	0.5	0.25	1.52109041909	0.438523399374
acquired_cold_3	negative	204.110235813	922.142129909	646734.5568	[['204.111007', 'C8H16N2O4', 0.000771186995024209, {'H': '16', 'C': '8', 'O': '4', 'N': '2'}]]	0.000771186995024	2	0.5	0.25	1.28339129628	1
acquired_cold_3	negative	211.083450871	556.414916611	14662068.16	[['211.0844579', 'C10H13NO4', 0.0010070289640111696, {'H': '13', 'C': '10', 'O': '4', 'N': 1}]]	0.00100702896401	1.3	0.4	0.1	29.0956629179	0.603393878844
acquired_cold_3	negative	219.052458208	452.870979892	553023266	[['219.0531578', 'C11H9NO4', 0.0006995918140262347, {'H': '9', 'C': '11', 'O': '4', 'N': 1}]]	0.000699591814026	0.818181818182	0.363636363636	0.0909090909091	1097.42898189	0.491107569216
acquired_cold_3	negative	230.093410186	75.4572130113	1460506.566	[['230.0942943', 'C14H14O3', 0.0008841138660216075, {'H': '14', 'C': '14', 'O': '3', 'N': 0}]]	0.000884113866022	1	0.214285714286	0	2.89825461661	0.0818281808887
acquired_cold_3	negative	235.047160668	530.800481028	23564359.1	[['235.0480724', 'C11H9NO5', 0.0009117316849938106, {'H': '9', 'C': '11', 'O': '5', 'N': 1}]]	0.000911731684994	0.818181818182	0.454545454545	0.0909090909091	46.761523802	0.575616777297
acquired_cold_3	negative	235.104605035	63.240476447	16485.79667	[['235.1055873', 'C9H17NO6', 0.0009822648900126296, {'H': '17', 'C': '9', 'O': '6', 'N': 1}]]	0.000982264890013	1.88888888889	0.666666666667	0.111111111111	0.0327147014738	0.0685799665755
acquired_cold_3	negative	259.11587471	766.684498265	8711674.217	[['259.1168207', 'C10H17N3O5', 0.0009459897630108571, {'H': '17', 'C': '10', 'O': '5', 'N': '3'}]]	0.000945989763011	1.7	0.5	0.3	17.2875977456	0.831416842804
acquired_cold_3	negative	266.073586235	464.47406321	29070.47086	[['266.072513', 'C12H14N2O3S', -0.0010732350889952613, {'H': '14', 'C': '12', 'O': '3', 'N': '2'}]]	-0.001073235089	1.16666666667	0.25	0.166666666667	0.0576879476877	0.503690318602
acquired_cold_3	negative	266.117786327	361.247668059	2092002.188	[['266.1175552', 'C17H16NO2', -0.00023112667497571238, {'H': '16', 'C': '17', 'O': '2', 'N': 1}], ['266.1167611', 'C15H14N4O', -0.0010252266749830596]]	-0.000231126674976	0.941176470588	0.117647058824	0.0588235294118	4.15140550578	0.391748361063
acquired_cold_3	negative	270.113722076	344.97883301	5262239.426	[['270.1135056', 'C13H19ClN2O2', -0.00021647569400329303, {'H': '19', 'C': '13', 'O': '2', 'N': '2'}]]	-0.000216475694003	1.46153846154	0.153846153846	0.153846153846	10.442479387	0.374105923394
acquired_cold_3	negative	276.073473663	531.081953388	2861737.795	[['276.0721768', 'C11H11F3N2O3', -0.0012968625699727454, {'H': '11', 'C': '11', 'O': '3', 'N': '2'}]]	-0.00129686256997	1	0.272727272727	0.181818181818	5.67888222412	0.575922014798
acquired_cold_3	negative	278.108713375	768.482729939	2667687.94	[['278.1095504', 'C22H14', 0.0008370253290195251, {'H': '14', 'C': '22', 'O': 0, 'N': 0}], ['278.1073576', 'C16H19ClO2', -0.0013557746709693674]]	0.00083702532902	0.636363636364	0	0	5.29380631882	0.833366901927
acquired_cold_3	negative	285.10456312	548.790566947	5828516.081	[['285.1034788', 'C13H19NO4S', -0.0010843199110013302, {'H': '19', 'C': '13', 'O': '4', 'N': 1}]]	-0.001084319911	1.46153846154	0.307692307692	0.0769230769231	11.5662086244	0.595125793679
acquired_cold_3	negative	294.090390927	793.176371384	728113.6238	[['294.0892089', 'C18H14O4', -0.0011820274399951813, {'H': '14', 'C': '18', 'O': '4', 'N': 0}]]	-0.00118202744	0.777777777778	0.222222222222	0	1.44488133139	0.860145465279
acquired_cold_3	negative	302.111583255	527.36199144	15967672.61	[['302.1114009', 'C12H18N2O7', -0.00018235531598520538, {'H': '18', 'C': '12', 'O': '7', 'N': '2'}]]	-0.000182355315985	1.5	0.583333333333	0.166666666667	31.6865270829	0.571887970775
acquired_cold_3	negative	302.119547774	710.971694931	3729323.669	[['302.118591', 'C17H19ClN2O', -0.0009567739489853011, {'H': '19', 'C': '17', 'O': 1, 'N': '2'}]]	-0.000956773948985	1.11764705882	0.0588235294118	0.117647058824	7.40053471317	0.771000122293
acquired_cold_3	negative	308.105465693	675.903950207	5876473.67	[['308.104859', 'C19H16O4', -0.0006066931580335222, {'H': '16', 'C': '19', 'O': '4', 'N': 0}]]	-0.000606693158034	0.842105263158	0.210526315789	0	11.6613764977	0.732971554259
acquired_cold_3	negative	322.120765748	607.614859349	4354212.283	[['322.1205091', 'C20H18O4', -0.000256648160984696, {'H': '18', 'C': '20', 'O': '4', 'N': 0}], ['322.1198571', 'C12H22N2O6S', -0.0009086481609870134]]	-0.000256648160985	0.9	0.2	0	8.64057454082	0.658916711038
acquired_cold_3	negative	323.118294686	497.885341455	3452842.266	[['323.1191289', 'C16H21NO4S', 0.0008342138530110788, {'H': '21', 'C': '16', 'O': '4', 'N': 1}]]	0.000834213853011	1.3125	0.25	0.0625	6.85188021116	0.539922562159
acquired_cold_3	negative	338.116069914	718.150649678	2469352.688	[['338.1154237', 'C20H18O5', -0.0006462136339564495, {'H': '18', 'C': '20', 'O': '5', 'N': 0}]]	-0.000646213633956	0.9	0.25	0	4.90022639722	0.778785207166
acquired_cold_3	negative	339.129143227	493.622288007	3251193.264	[['339.1297136', 'C24H20P', 0.0005703727180161877, {'H': '20', 'C': '24', 'O': 0, 'N': 0}]]	0.000570372718016	0.833333333333	0	0	6.45172442646	0.535299572589
acquired_cold_3	negative	340.131453725	494.555890332	1698851.767	[['340.1310738', 'C20H20O5', -0.0003799254919840678, {'H': '20', 'C': '20', 'O': '5', 'N': 0}]]	-0.000379925491984	1	0.25	0	3.37123097647	0.536312000387
acquired_cold_3	negative	370.083995677	378.24091118	3613147.434	[['370.0850891', 'C18H19NaO5S', 0.0010934229910048998, {'H': '19', 'C': '18', 'O': '5', 'N': 0}]]	0.001093422991	1.05555555556	0.277777777778	0	7.16999257302	0.410176369685
acquired_cold_3	negative	382.084659237	731.920207863	32658497.21	[['382.0850979', 'C18H20Cl2N2O3', 0.0004386629860277935, {'H': '20', 'C': '18', 'O': '3', 'N': '2'}], ['382.0859741', 'C12H18N2O12', 0.0013148629860211258]]	0.000438662986028	1.11111111111	0.166666666667	0.111111111111	64.8080895449	0.793717350204
acquired_cold_3	negative	394.140159274	278.77561502	814744.5814	[['394.1416384', 'C23H22O6', 0.0014791258619766268, {'H': '22', 'C': '23', 'O': '6', 'N': 0}]]	0.00147912586198	0.95652173913	0.260869565217	0	1.61679330951	0.302313066476
acquired_cold_3	negative	550.497401135	514.416576261	7903708.657	[['550.4961106', 'C35H66O4', -0.0012905353941050635, {'H': '66', 'C': '35', 'O': '4', 'N': 0}]]	-0.00129053539411	1.88571428571	0.114285714286	0	15.684256844	0.557849554397
acquired_cold_3	negative	596.17292903	510.108375093	21319227.41	[['596.1741204', 'C27H32O15', 0.0011913696919236827, {'H': '32', 'C': '27', 'O': '15', 'N': 0}]]	0.00119136969192	1.18518518519	0.555555555556	0	42.3062454507	0.553177605217