Attachment 1 Chemical List.xlsx

XLSX spreadsheet 719 KB Posted Jan 9, 2024

Attached to: Organic Chemicals Federal contract opportunity
Solicitation number: 1333ND24QNB640050
Issued by: Department of Commerce National Institute of Standards and Technology

About this file

Written by GovTribe AI · Jan 9, 2024

This document is a request for quotations (RFQ) for organic chemicals issued by the National Institute of Standards and Technology (NIST). The RFQ seeks fixed-price quotes for chemicals listed in an attachment to support the NIST/National Institutes of Health/Environmental Protection Agency Mass Spectral Library and Tandem Mass Spectral Library. Quotes are due by 1:00 pm Eastern time on January 24, 2024 and must include pricing for at least 75% of the chemicals in the attachment list. Award will be made to the lowest priced technically acceptable offer based on randomly selected chemicals from the list. Delivery terms are FOB destination. The solicitation is issued using simplified acquisition procedures and applicable clauses can be found in an attachment.

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File	Type	Posted
Provisions and Clauses.pdf	PDF	Jan 9, 2024
Statement of Requirement (Final).pdf	PDF	Jan 9, 2024

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GC+LC

Structure_ID	CNC_ID	InChIKey (No stereochemistry)	MW	InChIKey	SMILES	InChI	Unit of Issue	Unit Price
491596972	491597072	VYPSYNLAJGMNEJ	60.08	VYPSYNLAJGMNEJ-UHFFFAOYSA-N	O=[Si]=O	InChI=1S/O2Si/c1-3-2
28756013	3578165324	VLTRZXGMWDSKGL	99.45	VLTRZXGMWDSKGL-UHFFFAOYSA-M	[O-][Cl+3]([O-])([O-])[O-]	InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
28755900	458211413	WBZKQQHYRPRKNJ	144.13	WBZKQQHYRPRKNJ-UHFFFAOYSA-L	O=S([O-])S(=O)(=O)[O-]	InChI=1S/H2O5S2/c1-6(2)7(3,4)5/h(H,1,2)(H,3,4,5)/p-2
28765400	1809995734	DWYMPOCYEZONEA	99.98	DWYMPOCYEZONEA-UHFFFAOYSA-N	O=P(O)(O)F	InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)
30468384	2849845271	AZSFNUJOCKMOGB	236.91	AZSFNUJOCKMOGB-UHFFFAOYSA-K	O=P1([O-])OP(=O)([O-])OP(=O)([O-])O1	InChI=1S/H3O9P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h(H,1,2)(H,3,4)(H,5,6)/p-3
28768070	3578763508	YBNLWIZAWPBUKQ	300.8	YBNLWIZAWPBUKQ-UHFFFAOYSA-N	O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8
70583397	3578766693	RRYMAQUWDLIUPV	339.33	RRYMAQUWDLIUPV-BXKDBHETSA-N	CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CC#N)[C@H]2SC1	InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
70577386	3578362694	XYYUAOIALFMRGY	329.48	XYYUAOIALFMRGY-UHFFFAOYSA-N	CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O	InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23)
28757595	3578254394	DSFFTJWVPXAHPD	227.94	DSFFTJWVPXAHPD-UHFFFAOYSA-N	[O-][I+](O)(O)(O)(O)O	InChI=1S/H5IO6/c2-1(3,4,5,6)7/h2-6H
28837804	3543990904	OXLXSOPFNVKUMU	421.58	OXLXSOPFNVKUMU-UHFFFAOYSA-M	CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-]	InChI=1S/C20H38O7S/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3,(H,23,24,25)/p-1
3546408599	3578224147	IYHIFXGFKVJNBB	376.82	IYHIFXGFKVJNBB-UHFFFAOYSA-N	Cc1cc(/N=N/c2c(O)ccc3ccccc23)c(S(=O)(=O)O)cc1Cl	InChI=1S/C17H13ClN2O4S/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,21H,1H3,(H,22,23,24)
29511675	3575962471	ZXIBCJHYVWYIKI	473.57	ZXIBCJHYVWYIKI-PZJWPPBQSA-N	CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(C(=N)NO)cc1)C1CCCCC1	InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1
3546392270	3578308223	LZNMMJSXOXXHFD	420.83	LZNMMJSXOXXHFD-UHFFFAOYSA-N	Cc1cc(S(=O)(=O)O)c(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)cc1Cl	InChI=1S/C18H13ClN2O6S/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)
363945096	3574193514	XEEVLJKYYUVTRC	116.03	XEEVLJKYYUVTRC-UHFFFAOYSA-L	O=C([O-])C(=O)C(=O)[O-]	InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)/p-2
28771890	3564597468	IBALRBWGSVJPAP	334.78	IBALRBWGSVJPAP-UHFFFAOYSA-N	NC(=O)CCCN=C(c1ccc(Cl)cc1)c1cc(F)ccc1O	InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)
387788016	3578372265	SRPCPRSDICCCRQ	377.4	SRPCPRSDICCCRQ-UHFFFAOYSA-M	O=S(=O)([O-])c1c(/N=N/c2c(O)ccc3ccccc23)ccc2ccccc12	InChI=1S/C20H14N2O4S/c23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26/h1-12,23H,(H,24,25,26)/p-1
28762142	3578244517	UQVKZNNCIHJZLS	224.27	UQVKZNNCIHJZLS-UHFFFAOYSA-N	Cn1c(N)nc2ncc(-c3ccccc3)cc21	InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
28797196	3557932494	JNYSEDHQJCOWQU	273.33	JNYSEDHQJCOWQU-UHFFFAOYSA-N	CC(SC(=O)c1cccs1)C(=O)NCC(=O)O	InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)
3546435278	3578276961	MSPRUJDUTKRMLM	365.48	MSPRUJDUTKRMLM-UHFFFAOYSA-N	CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21	InChI=1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3
28838680	22363228	LKACJLUUJRMGFK	242.36	LKACJLUUJRMGFK-UHFFFAOYSA-N	CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC	InChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3
29028681	3578421345	GPMLJOOQCIHFET	176.26	GPMLJOOQCIHFET-UHFFFAOYSA-N	CC1CC(C)(c2ccccc2)CO1	InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
28837192	3578264734	KYWCWBXGRWWINE	376.42	KYWCWBXGRWWINE-UHFFFAOYSA-N	COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1	InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
34436406	3549139726	PCERBVBQNKZCFS	272.42	PCERBVBQNKZCFS-UHFFFAOYSA-M	S=C([S-])N(Cc1ccccc1)Cc1ccccc1	InChI=1S/C15H15NS2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)/p-1
366207846	3578302915	XOAIXMQPJQVGRV	353.55	XOAIXMQPJQVGRV-IBGZPJMESA-N	CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O	InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)/t19-/m0/s1
553225971	3575961965	UHRBTBZOWWGKMK	496.47	UHRBTBZOWWGKMK-DOMZBBRYSA-N	CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@@H]21	InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1
27719431	3548807353	QILMAYXCYBTEDM	252.4	QILMAYXCYBTEDM-UHFFFAOYSA-N	O=C1CCCCCCCC=CCCCCCCO1	InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2
28796432	17209741	WZHJKEUHNJHDLS	403.53	WZHJKEUHNJHDLS-UHFFFAOYSA-N	CN1CC(CNC(=O)OCc2ccccc2)CC2c3cccc4c3c(cn4C)CC21	InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)
35033584	3578280984	SSEBTPPFLLCUMN	261.37	SSEBTPPFLLCUMN-UHFFFAOYSA-N	CCc1cccc2cc(C(O)CNC(C)(C)C)oc12	InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3
28798085	117310764	GFAOAYJTEVHTLA	142.18	GFAOAYJTEVHTLA-UHFFFAOYSA-N	O=CSCc1ccco1	InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2
28764244	3481810870	VTLCNEGVSVJLDN	548.46	VTLCNEGVSVJLDN-MLGOLLRUSA-N	Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cc(Cl)c(=O)c(Cl)c4)[C@H]3SC2)s1	InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1
130897823	3548535802	MMCDSVCBSAMNPL	182.31	MMCDSVCBSAMNPL-UHFFFAOYSA-N	CCCCCCC/C=C\CCC=O	InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3
388389451	3578194340	GKWPCEFFIHSJOE	356.81	GKWPCEFFIHSJOE-UHFFFAOYSA-N	CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1	InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3
28438811	344683175	WQYSXVGEZYESBR	169.4	WQYSXVGEZYESBR-UHFFFAOYSA-N	S=P(Cl)(Cl)Cl	InChI=1S/Cl3PS/c1-4(2,3)5
519132029	3567260936	BPKAHTKRCLCHEA	416.65	BPKAHTKRCLCHEA-UHFFFAOYSA-N	CC(/C=C/C(C)C(C)(C)O)C1CCC2/C(=C\C=C3CC(O)CC(O)C3)CCCC21C	InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3
135896010	1842721932	PRMWGUBFXWROHD	349.39	PRMWGUBFXWROHD-UHFFFAOYSA-N	N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O	InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
2477043336	3578228245	SGOOQMRIPALTEL	308.34	SGOOQMRIPALTEL-UHFFFAOYSA-N	CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1	InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3
28797035	3578362269	SBJGFIXQRZOVTO	354.19	SBJGFIXQRZOVTO-UHFFFAOYSA-N	O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1	InChI=1S/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2
3558528987	3578248889	DWLZEPILACINAS	175.91	DWLZEPILACINAS-UHFFFAOYSA-N	[O-][I+2]([O-])O	InChI=1S/HIO3/c2-1(3)4/h2H
28780896	3567566327	CTFFKFYWSOSIAA	371.03	CTFFKFYWSOSIAA-UHFFFAOYSA-N	O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O	InChI=1S/C13H9Br2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)
135698212	3578241859	CQVWXNBVRLKXPE	209.29	CQVWXNBVRLKXPE-UHFFFAOYSA-N	C=C(C#N)C(=O)OC(C)CCCCCC	InChI=1S/C12H19NO2/c1-4-5-6-7-8-11(3)15-12(14)10(2)9-13/h11H,2,4-8H2,1,3H3
29514006	3557949976	MLILORUFDVLTSP	302.37	MLILORUFDVLTSP-UHFFFAOYSA-N	CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O	InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
73738838	3578361645	JDWCALSZHJBMIQ	254.38	JDWCALSZHJBMIQ-UHFFFAOYSA-N	Cc1cc(SSc2cc(C)oc2C)c(C)o1	InChI=1S/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3
29513842	3578195635	KYXDNECMRLFQMZ	381.82	KYXDNECMRLFQMZ-UHFFFAOYSA-N	COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F	InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
70597535	3578299874	GTFUITFQDGVJSK	316.44	GTFUITFQDGVJSK-XGXHKTLJSA-N	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C	InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
28827345	457039525	MURGITYSBWUQTI	334.33	MURGITYSBWUQTI-UHFFFAOYSA-N	O=C(O)c1ccccc1C1c2ccc(O)cc2Oc2cc(O)ccc21	InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24)
3550654658	3578769120	YFTWHEBLORWGNI	292.28	YFTWHEBLORWGNI-UHFFFAOYSA-N	Cn1cnc([N+](=O)[O-])c1Sc1[nH]c(N)nc2ncnc1-2	InChI=1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)
70611098	3578246674	DGSZGZSCHSQXFV	470.69	DGSZGZSCHSQXFV-UHFFFAOYSA-N	CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC	InChI=1S/C27H50O6/c1-7-13-16-21(10-4)25(28)31-19-24(33-27(30)23(12-6)18-15-9-3)20-32-26(29)22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3
1211124482	1211124519	UFJPAQSLHAGEBL	488.14	UFJPAQSLHAGEBL-RRKCRQDMSA-J	O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O	InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/p-4/t5-,6+,7+/m0/s1
70720493	3481810673	MPTJIDOGFUQSQH	329.23	MPTJIDOGFUQSQH-UHFFFAOYSA-N	Clc1cc(Cl)c2c(c1)CCc1ccccc1C2n1ccnc1	InChI=1S/C18H14Cl2N2/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22/h1-4,7-11,18H,5-6H2
28768151	3578369065	HZGIOLNCNORPKR	384.62	HZGIOLNCNORPKR-UHFFFAOYSA-N	CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC	InChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h15-16H,7-14H2,1-6H3
28519492	1950188647	CMUOJBJRZUHRMU	105.05	CMUOJBJRZUHRMU-UHFFFAOYSA-N	NC(=O)N[N+](=O)[O-]	InChI=1S/CH3N3O3/c2-1(5)3-4(6)7/h(H3,2,3,5)
28780982	3578246776	XULACPAEUUWKFX	345.09	XULACPAEUUWKFX-UHFFFAOYSA-N	O=[N+]([O-])c1cc(Cl)cc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1O	InChI=1S/C12H6Cl2N2O6/c13-5-1-7(11(17)9(3-5)15(19)20)8-2-6(14)4-10(12(8)18)16(21)22/h1-4,17-18H
234784480	3578324955	KEJCWVGMRLCZQQ	510.48	KEJCWVGMRLCZQQ-OBEQYXGQSA-N	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1	InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/t10?,14-,18-/m1/s1
238547435	2477319098	GLLPUTYLZIKEGF	366.34	GLLPUTYLZIKEGF-UHFFFAOYSA-N	O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1	InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)
70570274	3578283719	UXPUMTCLHVWFKC	307.43	UXPUMTCLHVWFKC-UHFFFAOYSA-M	CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-9-10-11-14(15)19-12-13-20(16,17)18/h2-13H2,1H3,(H,16,17,18)/p-1
30494404	1926154752	ZUSUVEKHEZURSD	126.2	ZUSUVEKHEZURSD-UHFFFAOYSA-N	CC/C=C/CCCC=O	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,8H,2,5-7H2,1H3
70580361	3132951677	USSKZVIXWTWCGK	200.32	USSKZVIXWTWCGK-UHFFFAOYSA-N	CCCCCC(CC)OC(=O)CCC	InChI=1S/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3
34867272	3578268668	RZJGTTOKUNMVCJ	228.38	RZJGTTOKUNMVCJ-UHFFFAOYSA-N	CCCCCCCC(=O)NCCCN(C)C	InChI=1S/C13H28N2O/c1-4-5-6-7-8-10-13(16)14-11-9-12-15(2)3/h4-12H2,1-3H3,(H,14,16)
28795516	3557931161	QERUYFVNIOLCHV	371.39	QERUYFVNIOLCHV-UHFFFAOYSA-N	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc2nonc12	InChI=1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3
341201842	3578268687	BJBCSGQLZQGGIQ	415.8	BJBCSGQLZQGGIQ-QGZVFWFLSA-N	CC(=O)NCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1	InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1
30013206	3576189471	UUOUOERPONYGOS	412.43	UUOUOERPONYGOS-CLCRDYEYSA-N	C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F	InChI=1S/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3/t11-,12-,14-,15+,16-,18-,19-,20-,21-/m0/s1
28806802	72546112	RSVIRMFSJVHWJV	173.3	RSVIRMFSJVHWJV-UHFFFAOYSA-N	CCCCCCCC[N+](C)(C)[O-]	InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3
29517182	3488953973	XGZZHZMWIXFATA	476.57	XGZZHZMWIXFATA-OUBLWOLJSA-N	CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/t20-,22-,26+,27+,28-/m1/s1
28842177	1521947503	QMXBURPYNWBMJR	172.27	QMXBURPYNWBMJR-UHFFFAOYSA-N	COC(C)(C)CCCC(C)C=O	InChI=1S/C10H20O2/c1-9(8-11)6-5-7-10(2,3)12-4/h8-9H,5-7H2,1-4H3
70235514	3578253143	SGRUZFCHLOFYHZ	295.26	SGRUZFCHLOFYHZ-MWLCHTKSSA-N	[N-]=[N+]=NCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	InChI=1S/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)/t9-,11-/m1/s1
234188258	344680742	LXEMVZAXEIKMOU	353.4	LXEMVZAXEIKMOU-UHFFFAOYSA-N	O=S(=O)(O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1	InChI=1S/C18H15N3O3S/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H,(H,22,23,24)
129514091	3565714613	XQJQCBDIXRIYRP	331.37	XQJQCBDIXRIYRP-UHFFFAOYSA-N	Cn1cc(C(=O)Nc2ccccc2C2CC2C2CC2)c(C(F)F)n1	InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)
28779312	3563305662	BDCLDNALSPBWPQ	130.14	BDCLDNALSPBWPQ-UHFFFAOYSA-N	CCCC(=O)CC(=O)O	InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)
28838355	3578362020	KGNDVXPHQJMHLX	261.44	KGNDVXPHQJMHLX-UHFFFAOYSA-N	CO[Si](CCCNC1CCCCC1)(OC)OC	InChI=1S/C12H27NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3
1808934581	3578266475	QJZRFPJCWMNVAV	517.07	QJZRFPJCWMNVAV-HHHXNRCGSA-N	Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
28800711	517306199	OKIYQFLILPKULA	250.06	OKIYQFLILPKULA-UHFFFAOYSA-N	COC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	InChI=1S/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3
29529452	3578290867	IXELFRRANAOWSF	234.41	IXELFRRANAOWSF-UHFFFAOYSA-N	C=CCSS/C=C/CS(=O)CC=C	InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2
30376676	1300161534	KHYPYQZQJSBPIX	313.42	KHYPYQZQJSBPIX-UHFFFAOYSA-N	CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1	InChI=1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18)
28758849	1828052431	UXCDUFKZSUBXGM	286.69	UXCDUFKZSUBXGM-UHFFFAOYSA-N	O=P(Br)(Br)Br	InChI=1S/Br3OP/c1-5(2,3)4
28802832	3578328486	KVUMYOWDFZAGPN	175.26	KVUMYOWDFZAGPN-UHFFFAOYSA-N	CO[Si](CCC#N)(OC)OC	InChI=1S/C6H13NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4,6H2,1-3H3
111735273	117857776	WXSIPUYRSBVXGK	191.91	WXSIPUYRSBVXGK-UHFFFAOYSA-N	[O-][I+3]([O-])([O-])O	InChI=1S/HIO4/c2-1(3,4)5/h2H
29926396	3578343562	UMOXFSXIFQOWTD	274.28	UMOXFSXIFQOWTD-LURJTMIESA-N	N=C(N)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O	InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1
28767800	458081859	MIJLZGZLQLAQCM	433.81	MIJLZGZLQLAQCM-UHFFFAOYSA-N	CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1	InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3
242808715	3576961730	LWMFAFLIWMPZSX	250.35	LWMFAFLIWMPZSX-UHFFFAOYSA-N	CC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1	InChI=1S/C12H22N6/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h5-8H2,1-4H3,(H,13,14)(H,15,16)
34697714	1300161052	GSYQNAMOFFWAPF	319.36	GSYQNAMOFFWAPF-PPOBMCMBSA-N	C[N+]1([O-])[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+,18?/m1/s1
28760012	3578246012	DVCCCQNKIYNAKB	213.24	DVCCCQNKIYNAKB-UHFFFAOYSA-N	Cc1cnc2ccc3c(nc(N)n3C)c2n1	InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)
243422205	3578342615	KBUNOSOGGAARKZ	299.5	KBUNOSOGGAARKZ-KRWDZBQOSA-N	CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1
28779912	3578280610	IADQVXRMSNIUEL	152.15	IADQVXRMSNIUEL-UHFFFAOYSA-N	O=CCc1ccc(O)c(O)c1	InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
29514480	3545611451	SDMBRCRVFFHJKR	302.41	SDMBRCRVFFHJKR-UHFFFAOYSA-N	CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O	InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
3577717362	3578343542	XSOLDPYUICCHJX	515.71	XSOLDPYUICCHJX-AFVXMJCCSA-N	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3C(O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23-,24?,25-,26-/m1/s1
70580443	638453089	UYBMIHNGXIOMAW	202.25	UYBMIHNGXIOMAW-UHFFFAOYSA-N	CCCC(CC(=O)OCC)OC(C)=O	InChI=1S/C10H18O4/c1-4-6-9(14-8(3)11)7-10(12)13-5-2/h9H,4-7H2,1-3H3
27156546	117525982	ROWKCXLLOLDVIO	184.15	ROWKCXLLOLDVIO-UHFFFAOYSA-N	O=C(O)C1C2C=CC(O2)C1C(=O)O	InChI=1S/C8H8O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)
28838746	117857665	DLFKFFZPKVOYJI	377.61	DLFKFFZPKVOYJI-UHFFFAOYSA-M	CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	InChI=1S/C20H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23/h2-20H2,1H3,(H,21,22,23)/p-1
30477965	3578234138	ODAIHABQVKJNIY	340.42	ODAIHABQVKJNIY-PEDHHIEDSA-N	CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O	InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
70799369	3578228321	MWYGSCHWFNRSET	156.27	MWYGSCHWFNRSET-UHFFFAOYSA-N	CCCCCC1CCCC1O	InChI=1S/C10H20O/c1-2-3-4-6-9-7-5-8-10(9)11/h9-11H,2-8H2,1H3
428412521	3578353449	PUBNJSZGANKUGX	380.53	PUBNJSZGANKUGX-UHFFFAOYSA-N	CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C	InChI=1S/C24H32N2O2/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26/h6-13H,5,14-18H2,1-4H3
34437283	3578225116	CDMDQYCEEKCBGR	166.18	CDMDQYCEEKCBGR-ZKCHVHJHSA-N	O=C=N[C@H]1CC[C@H](N=C=O)CC1	InChI=1S/C8H10N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h7-8H,1-4H2/t7-,8-
308498259	3578275958	LBWQSAZEYIZZCE	340.43	LBWQSAZEYIZZCE-SNVBAGLBSA-N	CC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12	InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
3558530019	3578379133	XXFACTAYGKKOQB	221.26	XXFACTAYGKKOQB-UHFFFAOYSA-N	CC(CO)CCNc1[nH]cnc2ncnc1-2	InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)
135737645	3544658864	MSYKRHVOOPPJKU	212.29	MSYKRHVOOPPJKU-BDAKNGLRSA-N	CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1	InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1
28849063	3578390330	UOGMZEGKCNHMBF	194.27	UOGMZEGKCNHMBF-UHFFFAOYSA-N	COC1CC2CC1C1CC(C=O)CC21	InChI=1S/C12H18O2/c1-14-12-5-8-4-11(12)10-3-7(6-13)2-9(8)10/h6-12H,2-5H2,1H3
402224260	948334681	VLTXBOGHSBHSAC	500.07	VLTXBOGHSBHSAC-UHFFFAOYSA-N	FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15
130910637	3578195342	FOKDITTZHHDEHD	394.68	FOKDITTZHHDEHD-UHFFFAOYSA-N	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC)CCCC	InChI=1S/C26H50O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h14-15,25H,4-13,16-24H2,1-3H3
128886951	3578425463	UWSPWQQZFOSTHS	176.26	UWSPWQQZFOSTHS-UHFFFAOYSA-N	Cc1ccc2c(c1)CC(C)(CO)C2	InChI=1S/C12H16O/c1-9-3-4-10-6-12(2,8-13)7-11(10)5-9/h3-5,13H,6-8H2,1-2H3
90265719	3578259410	WZBNEZWCNKUOSM	374.2	WZBNEZWCNKUOSM-UHFFFAOYSA-M	O=C(/C=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1	InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/p-1
638084918	3578281744	MQSZRBPYXNEFHF	300.27	MQSZRBPYXNEFHF-UHFFFAOYSA-N	COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1	InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
28836433	3578266825	YOZHLACIXDCHPV	129.16	YOZHLACIXDCHPV-UHFFFAOYSA-N	C=C(C)C(=O)NCOC	InChI=1S/C6H11NO2/c1-5(2)6(8)7-4-9-3/h1,4H2,2-3H3,(H,7,8)
70235574	3578766789	SKHXRNHSZTXSLP	330.41	SKHXRNHSZTXSLP-UHFFFAOYSA-N	CN/C(=C\[N+](=O)[O-])NCCS(=O)Cc1ccc(CN(C)C)o1	InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3
414325380	3578174225	GLVYLTSKTCWWJR	180.11	GLVYLTSKTCWWJR-UHFFFAOYSA-L	O=C([O-])c1ccccc1C(=O)O[O-]	InChI=1S/C8H6O5/c9-7(10)5-3-1-2-4-6(5)8(11)13-12/h1-4,12H,(H,9,10)/p-2
30395525	3578369613	CJTZDYDOPZRFTF	325.49	CJTZDYDOPZRFTF-UHFFFAOYSA-M	CCCCCCCCCCC(C)c1ccc(S(=O)(=O)[O-])cc1	InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)/p-1
1211124488	1211124525	OAKPWEUQDVLTCN	471.15	OAKPWEUQDVLTCN-NKWVEPMBSA-J	Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1	InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/p-4/t6-,7+/m0/s1
135758657	3557939278	HUVYTMDMDZRHBN	501.85	HUVYTMDMDZRHBN-UHFFFAOYSA-N	Cc1cc(CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(O)c(-n2nc3ccccc3n2)c1	InChI=1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3
950255723	3427748416	SGEIEGAXKLMUIZ	313.78	SGEIEGAXKLMUIZ-CYBMUJFWSA-N	[O-][n+]1cccc(/C(Cl)=N\OC[C@H](O)CN2CCCCC2)c1	InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/t13-/m1/s1
70646504	3578288241	NPDTUDWGJMBVEP	286.42	NPDTUDWGJMBVEP-UHFFFAOYSA-N	CC(=O)NCCCNCCCCNCCCNC(C)=O	InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)
29514711	3518535465	CJPLEFFCVDQQFZ	351.23	CJPLEFFCVDQQFZ-UHFFFAOYSA-N	CC(=O)c1ccc(C)cc1NC(C(N)=O)c1c(Cl)cccc1Cl	InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)
29514964	3578229533	NSUDGNLOXMLAEB	238.24	NSUDGNLOXMLAEB-UHFFFAOYSA-N	O=Cc1c(O)cccc1OCCCCC(=O)O	InChI=1S/C12H14O5/c13-8-9-10(14)4-3-5-11(9)17-7-2-1-6-12(15)16/h3-5,8,14H,1-2,6-7H2,(H,15,16)
1808934512	3578247424	WCWSTNLSLKSJPK	405.36	WCWSTNLSLKSJPK-LKFCYVNXSA-N	C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12	InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1
1808934576	3578261256	ONDYALNGTUAJDX	406.36	ONDYALNGTUAJDX-UHFFFAOYSA-N	COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C	InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3
28782782	3578356219	KHDSWONFYIAAPE	92.22	KHDSWONFYIAAPE-UHFFFAOYSA-N	S=[Si]=S	InChI=1S/S2Si/c1-3-2
130908726	3578380950	PEKZMKOVRVVTTN	156.14	PEKZMKOVRVVTTN-UHFFFAOYSA-N	C=CCOC(=O)/C=C/C(=O)O	InChI=1S/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)
233670053	3578175372	KBQLHHZOZSGQGO	408.51	KBQLHHZOZSGQGO-UHFFFAOYSA-N	Cc1cccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)c(C)c2C)c1C	InChI=1S/C26H24N4O/c1-16-8-7-11-22(17(16)2)27-28-23-13-14-24(19(4)18(23)3)29-30-26-21-10-6-5-9-20(21)12-15-25(26)31/h5-15,31H,1-4H3
243249534	1745356002	RQGPQWUKHADVPF	289.55	RQGPQWUKHADVPF-UHFFFAOYSA-N	CC(C)CC1NC(CC(C)C)SC(CC(C)C)S1	InChI=1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3
28767432	1280625107	GRVMOMUDALILLH	366.05	GRVMOMUDALILLH-UHFFFAOYSA-N	O=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F	InChI=1S/C7F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21
28786841	72546807	ZLVLNNCBGQYRAB	172.03	ZLVLNNCBGQYRAB-UHFFFAOYSA-N	O=C1OC(=O)C(F)(F)C1(F)F	InChI=1S/C4F4O3/c5-3(6)1(9)11-2(10)4(3,7)8
244301781	3578266591	WGEWUYACXPEFPO	407.46	WGEWUYACXPEFPO-AULYBMBSSA-N	CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1	InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-
491627101	3578229164	MCMSJVMUSBZUCN	405.5	MCMSJVMUSBZUCN-UHFFFAOYSA-N	COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)n(C)c(=O)n1CC2	InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3
27584656	3578211460	IVVOCRBADNIWDM	184.19	IVVOCRBADNIWDM-UHFFFAOYSA-N	O=C(O)C1C2CCC(C2)C1C(=O)O	InChI=1S/C9H12O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h4-7H,1-3H2,(H,10,11)(H,12,13)
28777269	443875214	DQPBABKTKYNPMH	113.09	DQPBABKTKYNPMH-UHFFFAOYSA-N	NOS(=O)(=O)O	InChI=1S/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4)
28798707	3578224500	MYOWBHNETUSQPA	277.45	MYOWBHNETUSQPA-UHFFFAOYSA-M	CCCCCCCCCCCCCCS(=O)(=O)[O-]	InChI=1S/C14H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H,15,16,17)/p-1
29522611	3578206712	WGENOABUKBFVAA	242.27	WGENOABUKBFVAA-UHFFFAOYSA-N	CC1OC2=C(C(=O)C(=O)c3ccccc32)C1(C)C	InChI=1S/C15H14O3/c1-8-15(2,3)11-13(17)12(16)9-6-4-5-7-10(9)14(11)18-8/h4-8H,1-3H3
531450264	3578323442	OPJOMVMFYOUDPK	179.22	OPJOMVMFYOUDPK-UHFFFAOYSA-N	CNCCc1ccc2c(c1)OCO2	InChI=1S/C10H13NO2/c1-11-5-4-8-2-3-9-10(6-8)13-7-12-9/h2-3,6,11H,4-5,7H2,1H3
27192220	3518162702	IWCNCUVTGOMGKG	432.56	IWCNCUVTGOMGKG-KMESBTIVSA-N	CC(=O)O[C@H]1C[C@]2(O)C3CC[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C1=CC(=O)OC1	InChI=1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18?,19?,20+,22+,23+,24-,25+/m1/s1
117254319	3578194571	AVKOENOBFIYBSA	330.51	AVKOENOBFIYBSA-UHFFFAOYSA-N	CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O	InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24)
28760800	3549140505	CBEQRNSPHCCXSH	206.81	CBEQRNSPHCCXSH-UHFFFAOYSA-N	BrI	InChI=1S/BrI/c1-2
29045374	3578286191	MEXUTNIFSHFQRG	311.34	MEXUTNIFSHFQRG-UHFFFAOYSA-N	O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21	InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
3546397321	3578252181	ZIAOVIPSKUPPQW	425.75	ZIAOVIPSKUPPQW-UHFFFAOYSA-N	Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O	InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
70745896	637672148	HOACIBQKYRHBOW	159.18	HOACIBQKYRHBOW-UHFFFAOYSA-N	CCC(C)C(=O)NCC(=O)O	InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
3546404128	3578770248	MFBMYAOAMQLLPK	460.57	MFBMYAOAMQLLPK-KKVSYVPPSA-N	CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O)C[C@@]21C	InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20?,23+,24-,25-,26-/m0/s1
28511395	3576214903	ADLSSRLDGACTEX	400.51	ADLSSRLDGACTEX-UHFFFAOYSA-N	c1ccc(O[Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1	InChI=1S/C24H20O4Si/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-20H
28768318	3578379153	VWWOJJANXYSACS	131.2	VWWOJJANXYSACS-UHFFFAOYSA-N	CSCCC(O)C#N	InChI=1S/C5H9NOS/c1-8-3-2-5(7)4-6/h5,7H,2-3H2,1H3
70623173	3578269010	IVZFUJYJXUATPL	229.3	IVZFUJYJXUATPL-UHFFFAOYSA-N	CCN(CC)c1ccc(S(=O)(=O)O)cc1	InChI=1S/C10H15NO3S/c1-3-11(4-2)9-5-7-10(8-6-9)15(12,13)14/h5-8H,3-4H2,1-2H3,(H,12,13,14)
28768143	3576961723	KAMCBFNNGGVPPW	226.27	KAMCBFNNGGVPPW-UHFFFAOYSA-N	C=CS(=O)(=O)COCS(=O)(=O)C=C	InChI=1S/C6H10O5S2/c1-3-12(7,8)5-11-6-13(9,10)4-2/h3-4H,1-2,5-6H2
27211793	12264544	VMJKUPWQKZFFCX	313.35	VMJKUPWQKZFFCX-UHFFFAOYSA-N	CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3	InChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3
28780940	517303820	MSOTUIWEAQEETA	269.39	MSOTUIWEAQEETA-UHFFFAOYSA-M	CCCCCCCCc1ccc(S(=O)(=O)[O-])cc1	InChI=1S/C14H22O3S/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17/h9-12H,2-8H2,1H3,(H,15,16,17)/p-1
28777595	3578757580	HDPRVQJRZUJZPT	373.64	HDPRVQJRZUJZPT-UHFFFAOYSA-N	O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c1	InChI=1S/C6H3Cl3O6S3/c7-16(10,11)4-1-5(17(8,12)13)3-6(2-4)18(9,14)15/h1-3H
30395072	1809905048	WOMAZEJKVZLLFE	131.13	WOMAZEJKVZLLFE-UHFFFAOYSA-N	CCC(=O)NCC(=O)O	InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
29016709	3578365821	XATLHBQMSOZWBO	316.04	XATLHBQMSOZWBO-UHFFFAOYSA-N	O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	InChI=1S/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18
27095860	3569457171	FVNSRFMQXKMHTQ	207.28	FVNSRFMQXKMHTQ-UHFFFAOYSA-N	N#CSc1ccc2nc(N)sc2c1	InChI=1S/C8H5N3S2/c9-4-12-5-1-2-6-7(3-5)13-8(10)11-6/h1-3H,(H2,10,11)
70692004	3543982190	UOCCVDMCNJYVIW	119.12	UOCCVDMCNJYVIW-UHFFFAOYSA-M	C#CCS(=O)(=O)[O-]	InChI=1S/C3H4O3S/c1-2-3-7(4,5)6/h1H,3H2,(H,4,5,6)/p-1
28811588	3578278709	FXUKWLSZZHVEJD	270.46	FXUKWLSZZHVEJD-UHFFFAOYSA-N	CCC(C)CCCCCCCCCCCCC(=O)O	InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
70694296	3578358987	XMTCQQIMRUZNCL	297.62	XMTCQQIMRUZNCL-UHFFFAOYSA-N	COC(=O)N(C(=O)Cl)c1ccc(OC(F)(F)F)cc1	InChI=1S/C10H7ClF3NO4/c1-18-9(17)15(8(11)16)6-2-4-7(5-3-6)19-10(12,13)14/h2-5H,1H3
28794815	432542762	LJDWJXUIGKSETE	158.2	LJDWJXUIGKSETE-UHFFFAOYSA-N	CCCC(=O)OC(C)C(C)=O	InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
530981374	3578219509	XPKVNPZDTLYFGX	422.46	XPKVNPZDTLYFGX-UHFFFAOYSA-N	CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)O)c2c1C(=O)c1ccccc1C2=O	InChI=1S/C22H18N2O5S/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25/h3-11,23-24H,1-2H3,(H,27,28,29)
34699695	3578767558	PCGKIWPTIJPQHI	298.51	PCGKIWPTIJPQHI-UHFFFAOYSA-N	CCC(C)CCCCCCCCCCCCCCC(=O)O	InChI=1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
30410343	3568740342	BHIJMLGSGLWEIR	250.04	BHIJMLGSGLWEIR-UHFFFAOYSA-N	COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl	InChI=1S/C8H5Cl2NO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3
28510925	3578382305	AUWRUFAJYVQXSH	327.36	AUWRUFAJYVQXSH-UHFFFAOYSA-N	C[Si](Cl)(O[Si](C)(Cl)c1ccccc1)c1ccccc1	InChI=1S/C14H16Cl2OSi2/c1-18(15,13-9-5-3-6-10-13)17-19(2,16)14-11-7-4-8-12-14/h3-12H,1-2H3
947230003	3578770241	HJIKODJJEORHMZ	494.71	HJIKODJJEORHMZ-OZXIRSPGSA-N	CC[C@@H](C(C)C)C(O)C(O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C	InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25?,26?,28+,29+/m0/s1
70565420	3578370448	NIKKCIWANYCKDL	178.27	NIKKCIWANYCKDL-UHFFFAOYSA-N	CCc1ccc(C(C)(C)C)c(O)c1	InChI=1S/C12H18O/c1-5-9-6-7-10(11(13)8-9)12(2,3)4/h6-8,13H,5H2,1-4H3
70612889	3549138502	LYIPDZSLYLDLCU	389.07	LYIPDZSLYLDLCU-UHFFFAOYSA-N	N#CC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F	InChI=1S/C8F13NO2/c9-2(10)3(11)23-8(20,21)5(14,6(15,16)17)24-7(18,19)4(12,13)1-22
35298714	3578302921	NRBFOSKZAWRBJI	327.51	NRBFOSKZAWRBJI-KRWDZBQOSA-N	CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O	InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17(2)19(22)23/h17H,3-16H2,1-2H3,(H,20,21)(H,22,23)/t17-/m0/s1
28803425	3578221674	GFLXBRUGMACJLQ	267.46	GFLXBRUGMACJLQ-UHFFFAOYSA-N	CCCCCCCCCCCCCCCCN=C=O	InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3
27928544	72548980	LTGPEBRDBMFYBR	296.37	LTGPEBRDBMFYBR-UHFFFAOYSA-N	CCOC(=O)c1ccc(N=CN(CC)c2ccccc2)cc1	InChI=1S/C18H20N2O2/c1-3-20(17-8-6-5-7-9-17)14-19-16-12-10-15(11-13-16)18(21)22-4-2/h5-14H,3-4H2,1-2H3
3577741628	3577741919	UOQYWMZLTNEIFI	132.21	UOQYWMZLTNEIFI-UHFFFAOYSA-N	CN(CCO)CCCN	InChI=1S/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3
70711768	3578369251	GWQRPOCMBMQBTK	358.52	GWQRPOCMBMQBTK-UHFFFAOYSA-N	CCCCC(CC)C(=O)OCCOCCOC(=O)C(CC)CCCC	InChI=1S/C20H38O5/c1-5-9-11-17(7-3)19(21)24-15-13-23-14-16-25-20(22)18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
2477046531	3578328861	SOLUWJRYJLAZCX	449.39	SOLUWJRYJLAZCX-LYOVBCGYSA-N	O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2	InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1
1808934668	3578256961	SKVPTPMWXJSBTF	204.23	SKVPTPMWXJSBTF-UHFFFAOYSA-N	Cc1c(O)c(=O)n(-c2ccccc2)n1C	InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3
28969163	3578239881	IFOGOHVJHKKYCT	214.35	IFOGOHVJHKKYCT-UHFFFAOYSA-N	CCCCCCOC(=O)CCCCCC	InChI=1S/C13H26O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h3-12H2,1-2H3
520261804	3578343409	YGMJOCQCLVNPOD	346.71	YGMJOCQCLVNPOD-UHFFFAOYSA-N	CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1COCC(F)(F)F	InChI=1S/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)
70755064	127647444	QHJLPOSPWKZACG	409.51	QHJLPOSPWKZACG-UHFFFAOYSA-N	CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O	InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
28797347	3567119656	REQFWARMBJWJAQ	262.72	REQFWARMBJWJAQ-UHFFFAOYSA-N	CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1	InChI=1S/C9H11ClN2O3S/c1-11-9(13)6-3-4-7(10)8(5-6)16(14,15)12-2/h3-5,12H,1-2H3,(H,11,13)
70669416	3578284874	DUOHVNSMLSPTMI	185.18	DUOHVNSMLSPTMI-UHFFFAOYSA-N	Cc1ncc([N+](=O)[O-])n1CCCO	InChI=1S/C7H11N3O3/c1-6-8-5-7(10(12)13)9(6)3-2-4-11/h5,11H,2-4H2,1H3
29106406	3578222953	NYZBWOSRZJKQAI	159.18	NYZBWOSRZJKQAI-UHFFFAOYSA-N	CCCCC(=O)NCC(=O)O	InChI=1S/C7H13NO3/c1-2-3-4-6(9)8-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
70244916	3578352015	TYRGSDXYMNTMML	139.15	TYRGSDXYMNTMML-UHFFFAOYSA-M	CCCOS(=O)(=O)[O-]	InChI=1S/C3H8O4S/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H,4,5,6)/p-1
30475730	428073058	WLXGQMVCYPUOLM	125.12	WLXGQMVCYPUOLM-UHFFFAOYSA-M	CC(O)S(=O)(=O)[O-]	InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/p-1
1828145415	3578194037	RGDVNLHBCKWZDA	321.23	RGDVNLHBCKWZDA-XLPZGREQSA-N	Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1N	InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
135514165	3578784747	KIHXTOVLSZRTHJ	212.29	KIHXTOVLSZRTHJ-UHFFFAOYSA-N	O=CC/C=C\CCCCCCCC(=O)O	InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)
28789160	72545005	HSQVHYANHDSFFI	197.28	HSQVHYANHDSFFI-UHFFFAOYSA-N	Cc1cc(-c2ccccc2C)ccc1N	InChI=1S/C14H15N/c1-10-5-3-4-6-13(10)12-7-8-14(15)11(2)9-12/h3-9H,15H2,1-2H3
30384251	117277388	KSLLMGLKCVSKFF	342.31	KSLLMGLKCVSKFF-UHFFFAOYSA-N	O=C1c2nc3ccccc3c(O)c2C(=O)c2nc3ccccc3c(O)c21	InChI=1S/C20H10N2O4/c23-17-9-5-1-3-7-11(9)21-15-13(17)19(25)16-14(20(15)26)18(24)10-6-2-4-8-12(10)22-16/h1-8H,(H,21,23)(H,22,24)
28789963	3558667564	SOGCSKLTQHBFLP	272.21	SOGCSKLTQHBFLP-UHFFFAOYSA-N	O=C1c2c(O)ccc(O)c2C(=O)c2c(O)ccc(O)c21	InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H
336671332	3562330517	CGBYTKOSZYQOPV	413.8	CGBYTKOSZYQOPV-UHFFFAOYSA-N	COP(=O)(c1cc(C)cc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12	InChI=1S/C20H17ClN3O3P/c1-12-8-13(4-3-7-22)10-15(9-12)28(26,27-2)19-16-11-14(21)5-6-17(16)24-18(19)20(23)25/h3-6,8-11,24H,1-2H3,(H2,23,25)
68216733	1280630067	HLBRGVKRZQSQHB	442.12	HLBRGVKRZQSQHB-UHFFFAOYSA-N	O=C(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)
28838284	120984274	RWNXMNLTEMDVIG	301.43	RWNXMNLTEMDVIG-UHFFFAOYSA-N	c1ccc(CCC(CCc2ccccc2)c2ccncc2)cc1	InChI=1S/C22H23N/c1-3-7-19(8-4-1)11-13-21(22-15-17-23-18-16-22)14-12-20-9-5-2-6-10-20/h1-10,15-18,21H,11-14H2
70687607	3578762885	ICFXJOAKQGDRCT	428.7	ICFXJOAKQGDRCT-ZIHMWMKCSA-N	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C	InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
28799245	3549140339	KBHBUUBXEQUIMV	420.06	KBHBUUBXEQUIMV-UHFFFAOYSA-N	FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	InChI=1S/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
130826703	410494958	QMBSJPZHUJCMJU	162.18	QMBSJPZHUJCMJU-UHFFFAOYSA-N	CCOCCOC(C)C(=O)O	InChI=1S/C7H14O4/c1-3-10-4-5-11-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
28802974	3576945952	YTJSFYQNRXLOIC	284.6	YTJSFYQNRXLOIC-UHFFFAOYSA-N	CCCCCCCCCCCCCCCCCC[SiH3]	InChI=1S/C18H40Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1,19H3
183888053	3578260955	NEQZWEXWOFPKOT	362.38	NEQZWEXWOFPKOT-GEWABHDNSA-N	COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/t11-,15-,18+/m0/s1
70597743	3563303621	GSKKPNMVOYDARW	262.39	GSKKPNMVOYDARW-UHFFFAOYSA-N	CCCCC(CC)COCCOCCOCCO	InChI=1S/C14H30O4/c1-3-5-6-14(4-2)13-18-12-11-17-10-9-16-8-7-15/h14-15H,3-13H2,1-2H3
2477045436	3578262536	DIKSYHCCYVYKRO	350.42	DIKSYHCCYVYKRO-UHFFFAOYSA-N	CCc1cccc2c1c(O)c(C(=O)N(CC)c1ccccc1)c(=O)n2C	InChI=1S/C21H22N2O3/c1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15/h6-13,24H,4-5H2,1-3H3
243316800	3578249616	AOXXVRDKZLRGTJ	440.71	AOXXVRDKZLRGTJ-BQNIITSRSA-N	C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO	InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
28768892	3578196841	VQUGQIYAVYQSAB	280.09	VQUGQIYAVYQSAB-UHFFFAOYSA-N	O=S(=O)(F)C(F)(F)C(F)(F)OC(F)=C(F)F	InChI=1S/C4F8O3S/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14
28800776	3564735102	FHGKXFQZUUSHPB	180.07	FHGKXFQZUUSHPB-UHFFFAOYSA-N	COC(O)C(F)(F)C(F)(F)F	InChI=1S/C4H5F5O2/c1-11-2(10)3(5,6)4(7,8)9/h2,10H,1H3
458374457	3578766972	KPVIXBKIJXZQJX	507.74	KPVIXBKIJXZQJX-FCEONZPQSA-N	C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O	InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1
233897704	344671142	VMKWPUCCYMSOEA	506.48	VMKWPUCCYMSOEA-UHFFFAOYSA-M	Nc1cc(N)c(/N=N/c2cccc3c(S(=O)(=O)[O-])cccc23)cc1/N=N/c1cc([N+](=O)[O-])ccc1O	InChI=1S/C22H17N7O6S/c23-15-10-16(24)19(27-28-20-9-12(29(31)32)7-8-21(20)30)11-18(15)26-25-17-5-1-4-14-13(17)3-2-6-22(14)36(33,34)35/h1-11,30H,23-24H2,(H,33,34,35)/p-1
29207248	3578385556	IZHHSJHVOYVIRH	311.38	IZHHSJHVOYVIRH-UHFFFAOYSA-N	CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(C)c1	InChI=1S/C19H21NO3/c1-4-20(5-2)14-10-11-15(13(3)12-14)18(21)16-8-6-7-9-17(16)19(22)23/h6-12H,4-5H2,1-3H3,(H,22,23)
28523113	3579321539	YFPSDOXLHBDCOR	232.24	YFPSDOXLHBDCOR-UHFFFAOYSA-N	O=C1C=Cc2ccc3c4c(ccc1c24)C=CC3=O	InChI=1S/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
28791417	3544683247	PISDRBMXQBSCIP	481.54	PISDRBMXQBSCIP-UHFFFAOYSA-N	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl	InChI=1S/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2
28917557	3578242817	MYPFDGJQUXKSFK	158.2	MYPFDGJQUXKSFK-UHFFFAOYSA-N	COC1(C)C=CC(C)(OC)O1	InChI=1S/C8H14O3/c1-7(9-3)5-6-8(2,10-4)11-7/h5-6H,1-4H3
28813740	3578357043	CACRRXGTWZXOAU	333.56	CACRRXGTWZXOAU-UHFFFAOYSA-M	CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-]	InChI=1S/C18H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H,19,20,21)/p-1
151012868	3578284974	UOVGCLXUTLXAEC	300.31	UOVGCLXUTLXAEC-WFASDCNBSA-N	COc1ccc2c(c1OC)O[C@H]1c3ccc(O)cc3OC[C@@H]21	InChI=1S/C17H16O5/c1-19-13-6-5-10-12-8-21-14-7-9(18)3-4-11(14)15(12)22-16(10)17(13)20-2/h3-7,12,15,18H,8H2,1-2H3/t12-,15-/m0/s1
38985806	3578272725	XRARAKHBJHWUHW	437.58	XRARAKHBJHWUHW-QVUBZLTISA-N	CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O	InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21?,22+,23-,24+/m1/s1
70797072	3578230812	DEMBLPGWNXUBIQ	410.77	DEMBLPGWNXUBIQ-UHFFFAOYSA-N	CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC	InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
135944156	3578362734	AOHBGMDQHXJADT	343.44	AOHBGMDQHXJADT-UHFFFAOYSA-M	CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-]	InChI=1S/C18H32O6/c1-4-5-6-7-8-9-10-11-12-13-16(19)23-15(3)18(22)24-14(2)17(20)21/h14-15H,4-13H2,1-3H3,(H,20,21)/p-1
27092306	3579321542	XETOQIJGUBNXLQ	232.24	XETOQIJGUBNXLQ-UHFFFAOYSA-N	O=C1C=Cc2ccc3c4c(ccc1c24)C(=O)C=C3	InChI=1S/C16H8O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H
70595117	3578385999	IXHBSOXJLNEOPY	538.65	IXHBSOXJLNEOPY-UHFFFAOYSA-N	CCN(c1ccc(C)cc1)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21	InChI=1S/C36H30N2O3/c1-4-38(26-16-14-23(2)15-17-26)27-18-19-30-34(21-27)40-33-20-24(3)32(37-25-10-6-5-7-11-25)22-31(33)36(30)29-13-9-8-12-28(29)35(39)41-36/h5-22,37H,4H2,1-3H3
459157463	1070183742	LXWHQTNFZDTKBH	192.22	LXWHQTNFZDTKBH-UHFFFAOYSA-N	NCCc1c[nH]c2c(O)cc(O)cc12	InChI=1S/C10H12N2O2/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14/h3-5,12-14H,1-2,11H2
35362878	1280642538	GQJXVHYUQPXZOL	280.15	GQJXVHYUQPXZOL-UHFFFAOYSA-N	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS	InChI=1S/C6H5F9S/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
30434330	3578302832	CUCMIJQKFCWAPD	256.09	CUCMIJQKFCWAPD-UHFFFAOYSA-N	Oc1cn2c(n1)Nc1ccc(Cl)c(Cl)c1C2	InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2,4,16H,3H2,(H,13,14)
128687643	3578352713	AOFIWCXMXPVSAZ	214.36	AOFIWCXMXPVSAZ-UHFFFAOYSA-N	CSc1cc(C)c(N)c(SC)c1N	InChI=1S/C9H14N2S2/c1-5-4-6(12-2)8(11)9(13-3)7(5)10/h4H,10-11H2,1-3H3
27340135	3578228124	CHBXCQHBCCLICW	198.26	CHBXCQHBCCLICW-UHFFFAOYSA-N	Cc1ccc(OCc2ccccc2)cc1	InChI=1S/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
70604526	3578234951	BTAREPMBYAAWOX	120.15	BTAREPMBYAAWOX-UHFFFAOYSA-N	CC(O)C(CO)CO	InChI=1S/C5H12O3/c1-4(8)5(2-6)3-7/h4-8H,2-3H2,1H3
3546397291	3578247375	HWGQMRYQVZSGDQ	380.36	HWGQMRYQVZSGDQ-HZPDHXFCSA-N	Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1	InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1
339167284	3578249612	YEYLMQKEGSQNGZ	302.28	YEYLMQKEGSQNGZ-AWEZNQCLSA-N	COc1cc(O)c2c(c1)O[C@H](c1cc(O)cc(O)c1)CC2=O	InChI=1S/C16H14O6/c1-21-11-5-12(19)16-13(20)7-14(22-15(16)6-11)8-2-9(17)4-10(18)3-8/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
583106204	3555529504	IPVCSECPEVHQOV	323.37	IPVCSECPEVHQOV-UHFFFAOYSA-N	Cc1cccc(C)c1N(Cn1cccn1)C(=O)CS(=O)(=O)O	InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)
34701481	947273577	HDTYUHNZRYZEEB	394.9	HDTYUHNZRYZEEB-UHFFFAOYSA-N	CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CCl)cc1	InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3
28810699	3577045185	WYVHNCGXVPMYQK	296.37	WYVHNCGXVPMYQK-UHFFFAOYSA-N	Cc1ccc2c(c1)-c1c3ccccc3cc3c(C)ccc(c13)O2	InChI=1S/C22H16O/c1-13-7-9-19-18(11-13)21-16-6-4-3-5-15(16)12-17-14(2)8-10-20(23-19)22(17)21/h3-12H,1-2H3
28806096	72548365	LVNQVIZBPSRXAN	288.39	LVNQVIZBPSRXAN-UHFFFAOYSA-N	C1COCCN2CCOCCN(CCO1)CCOCC2	InChI=1S/C14H28N2O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h1-14H2
235314409	3544163714	PHMHHVKFXZNTKU	273.29	PHMHHVKFXZNTKU-UHFFFAOYSA-N	Cc1cccc(C)c1N(Cn1cccn1)C(=O)C(=O)O	InChI=1S/C14H15N3O3/c1-10-5-3-6-11(2)12(10)17(13(18)14(19)20)9-16-8-4-7-15-16/h3-8H,9H2,1-2H3,(H,19,20)
28769108	3578389766	GVBUHJSIDPIOBZ	168.15	GVBUHJSIDPIOBZ-UHFFFAOYSA-N	COc1c(N)cccc1[N+](=O)[O-]	InChI=1S/C7H8N2O3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,8H2,1H3
28808138	3578197978	GHBZJUJZNRLHBI	400.06	GHBZJUJZNRLHBI-UHFFFAOYSA-N	FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F	InChI=1S/C8F16/c9-1(7(19,20)21)2(10,8(22,23)24)4(13,14)6(17,18)5(15,16)3(1,11)12
73482833	3578337178	NTCCRGGIJNDEAB	428.32	NTCCRGGIJNDEAB-IRXDYDNUSA-N	CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O	InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1
29512859	3567178330	DLNAKYFPFYUBDR	335.45	DLNAKYFPFYUBDR-UHFFFAOYSA-N	Nc1ccc(C(=O)N2CC3CC(CN(Cc4ccccc4)C3)C2)cc1	InChI=1S/C21H25N3O/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15,22H2
129025008	3514515192	UPZWINBEAHDTLA	325.77	UPZWINBEAHDTLA-UHFFFAOYSA-N	Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1	InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
30522818	3567178176	PFYHYHZGDNWFIF	163.17	PFYHYHZGDNWFIF-UNTFVMJOSA-N	OC[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O	InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
187813389	3578765568	WINHLTQNRABBSW	255.25	WINHLTQNRABBSW-UHFFFAOYSA-N	Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1	InChI=1S/C14H10FN3O/c15-10-4-1-8(2-5-10)13(19)9-3-6-11-12(7-9)18-14(16)17-11/h1-7H,(H3,16,17,18)
70701248	3578381882	MPCPSVWSWKWJLO	195.26	MPCPSVWSWKWJLO-UHFFFAOYSA-N	CC(C)NCC(O)c1ccc(O)cc1	InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,11-14H,7H2,1-2H3
70580354	3578189778	IIONSYMKCJTBCD	260.38	IIONSYMKCJTBCD-UHFFFAOYSA-N	COc1cccc(C2CC3CC2C(C)(C)C3C)c1O	InChI=1S/C17H24O2/c1-10-11-8-13(14(9-11)17(10,2)3)12-6-5-7-15(19-4)16(12)18/h5-7,10-11,13-14,18H,8-9H2,1-4H3
28797088	414657886	HPZHFGBKCGWNGN	238.29	HPZHFGBKCGWNGN-UHFFFAOYSA-N	Cc1nc(NCc2ccccc2)c2cc[nH]c2n1	InChI=1S/C14H14N4/c1-10-17-13-12(7-8-15-13)14(18-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,15,16,17,18)
34699663	3578268597	APXSAEQXOXTDAM	240.39	APXSAEQXOXTDAM-UHFFFAOYSA-N	CCCC/C=C/CCCCCCCCC(=O)O	InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,7-14H2,1H3,(H,16,17)
130311311	2704775475	VSLFLWQBWGEPBW	222.24	VSLFLWQBWGEPBW-UHFFFAOYSA-N	O=C(O)CCCCc1ccc2c(c1)OCO2	InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)
70753541	3578317935	FOEXHEVNPRRHDY	179.17	FOEXHEVNPRRHDY-SLPGGIOYSA-N	N[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)C=O	InChI=1S/C6H13NO5/c7-5(3(10)1-8)6(12)4(11)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6+/m0/s1
27114572	320196615	LQCKFXAPVKCRRU	200.11	LQCKFXAPVKCRRU-UHFFFAOYSA-N	O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O	InChI=1S/C6H4N2O6/c9-4-2-1-3(7(11)12)6(10)5(4)8(13)14/h1-2,9-10H
30556261	3578275409	NYRXUBDGDSRBGB	284.27	NYRXUBDGDSRBGB-UHFFFAOYSA-N	COc1c(O)c(C)cc2c1C(=O)c1c(O)cccc1C2=O	InChI=1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3
28812042	3576967386	RRQWVJIFKFIUJU	331.38	RRQWVJIFKFIUJU-UHFFFAOYSA-N	CCCCCCCC/C=C\CCCCCCCCBr	InChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3
130307367	3555120590	FMKHMNBODOXQLQ	354.4	FMKHMNBODOXQLQ-UHFFFAOYSA-N	COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc2c1CC(C(C)(C)O)O2	InChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3
29545165	1300161384	MUCRYNWJQNHDJH	454.7	MUCRYNWJQNHDJH-OADIDDRXSA-N	C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1

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