smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCCc1cc2n(c1C(=O)c1ccc(F)cc1)CC[C@H]2C(=O)[O-]	ZINC000027977825	202163429	/nfs/dbraw/zinc/16/34/29/202163429.db2.gz	DPSCQKPYHMZFEG-OAHLLOKOSA-N	-1	0	345.370	3.009	1	0		EGAFRM
O=c1nc(CN2CCC[C@H](O)C2)[n-]c2c3cc(Cl)ccc3sc21	ZINC000045303336	202549458	/nfs/dbraw/zinc/54/94/58/202549458.db2.gz	SAVHQKIDKMSOHS-JTQLQIEISA-N	-1	0	349.843	3.160	1	0		EGAFRM
COc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)[O-])cc1	ZINC000028224879	202166752	/nfs/dbraw/zinc/16/67/52/202166752.db2.gz	UTHOEZQFQZSETM-LBPRGKRZSA-N	-1	0	331.393	3.022	1	0		EGAFRM
Nc1nc(-c2ccc(-c3ccccc3)cc2)c(Br)c(=O)[n-]1	ZINC000029545599	202189083	/nfs/dbraw/zinc/18/90/83/202189083.db2.gz	LCLOKVLVPZSBRO-UHFFFAOYSA-N	-1	0	342.196	3.449	1	0		EGAFRM
CNC(=O)Oc1cc(C)c(/C=C/c2cncc(C(=O)[O-])c2)c(C)c1	ZINC000036187611	202317901	/nfs/dbraw/zinc/31/79/01/202317901.db2.gz	JVVREYBMRCJLLH-SNAWJCMRSA-N	-1	0	326.352	3.285	1	0		EGAFRM
C[C@@H](Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)[O-]	ZINC000013864241	201366461	/nfs/dbraw/zinc/36/64/61/201366461.db2.gz	VVOLYJNOTQWXLG-SNVBAGLBSA-N	-1	0	326.304	3.018	1	0		EGAFRM
C[C@@H]1CC[C@H](n2c(=O)cc([O-])n(CCc3ccc(Cl)cc3)c2=O)C1	ZINC000101678301	204018410	/nfs/dbraw/zinc/01/84/10/204018410.db2.gz	FLQXRRHYRQYFCC-DOMZBBRYSA-N	-1	0	348.830	3.252	1	0		EGAFRM
C[C@@]12CCC[C@@](CO)(C(=O)[O-])[C@H]1CC[C@@]13C[C@@H](CO)[C@@H](C1)CC[C@@H]32	ZINC000070454064	560048687	/nfs/dbraw/zinc/04/86/87/560048687.db2.gz	UUBNGVXGDKXQQJ-IZVMADOGSA-N	-1	0	336.472	3.065	1	0	biogenic,in-vitro	EGAFRM
Cc1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c(C(=O)[O-])c(C)c1O2	ZINC000003197684	560188826	/nfs/dbraw/zinc/18/88/26/560188826.db2.gz	CFPLLTGKDKZLIH-UHFFFAOYSA-N	-1	0	344.319	3.355	1	0	in-vitro	EGAFRM
CC1(C)CC(C)(C)c2nc(C(=O)Nc3cccc(C(=O)[O-])c3)cnc21	ZINC000026822903	202149331	/nfs/dbraw/zinc/14/93/31/202149331.db2.gz	SQJJFDDXCQJZOB-UHFFFAOYSA-N	-1	0	339.395	3.386	1	0		EGAFRM
O=C([O-])CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1	ZINC000028230732	202167068	/nfs/dbraw/zinc/16/70/68/202167068.db2.gz	PQEBQKGGBLCQGQ-DVZSUYKVSA-N	-1	0	349.452	3.255	1	0		EGAFRM
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1Cc1c(C(=O)[O-])n[nH]c12	ZINC000028527761	202172163	/nfs/dbraw/zinc/17/21/63/202172163.db2.gz	STMAPKSCMBBUOL-IDLUEMFASA-N	-1	0	338.407	3.384	1	0		EGAFRM
COCC[C@@H](CC1(C(=O)NCCc2ccccc2)CCCC1)C(=O)[O-]	ZINC000028641707	202173720	/nfs/dbraw/zinc/17/37/20/202173720.db2.gz	PMEOGCNCBJPTSU-KRWDZBQOSA-N	-1	0	347.455	3.033	1	0		EGAFRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1	ZINC000005646982	201658127	/nfs/dbraw/zinc/65/81/27/201658127.db2.gz	HUOBRTXKQLCFIZ-RDGPPVDQSA-N	-1	0	347.414	3.415	1	0		EGAFRM
CC1(C)[C@H]2C[C@@H]1CC[C@@]21CCc2c([O-])c(C=O)c(O)c(C=O)c2O1	ZINC000072109257	203162173	/nfs/dbraw/zinc/16/21/73/203162173.db2.gz	QCUQTKOOLWMDSS-PJZBOPKMSA-N	-1	0	330.380	3.243	1	0		EGAFRM
C[C@H]1CC[C@@H](n2c(=O)cc([O-])n(CCc3ccc(Cl)cc3)c2=O)C1	ZINC000101678311	204017726	/nfs/dbraw/zinc/01/77/26/204017726.db2.gz	FLQXRRHYRQYFCC-SWLSCSKDSA-N	-1	0	348.830	3.252	1	0		EGAFRM
CCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000103252183	204069304	/nfs/dbraw/zinc/06/93/04/204069304.db2.gz	CNYOOQONBFFLRH-UHFFFAOYSA-N	-1	0	347.436	3.376	1	0		EGAFRM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(=O)c1ccc(Cl)cc1	ZINC000136070207	205487705	/nfs/dbraw/zinc/48/77/05/205487705.db2.gz	GZBBUUFQOIGNGR-UHFFFAOYSA-N	-1	0	330.746	3.498	1	0		EGAFRM
CCCCC[C@H](O)[C@H](O)/C=C\[C@H](O)CCCCCCCC(=O)[O-]	ZINC000005820883	560203299	/nfs/dbraw/zinc/20/32/99/560203299.db2.gz	MDIUMSLCYIJBQC-HEDBHGFYSA-N	-1	0	330.465	3.021	1	0	in-vitro	EGAFRM
C[C@]1(C(=O)[O-])CCC[C@]2(C)C3=CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12	ZINC000015061063	574413735	/nfs/dbraw/zinc/41/37/35/574413735.db2.gz	QSJIZGQGHYROGD-OXKDHXHXSA-N	-1	0	334.456	3.127	1	0	endogenous,in-man	EGAFRM
COc1ccc(Nc2cnccc2[N-]S(=O)(=O)C(F)(F)F)cc1	ZINC000049110086	581099644	/nfs/dbraw/zinc/09/96/44/581099644.db2.gz	GDUSIQDNSPJJLQ-UHFFFAOYSA-N	-1	0	347.318	3.095	1	0		EGAFRM
CC1(C)CC(C)(C)c2nc(C(=O)Nc3ccc(C(=O)[O-])cc3)cnc21	ZINC000026819677	202148559	/nfs/dbraw/zinc/14/85/59/202148559.db2.gz	YHTDENDMDRJFGI-UHFFFAOYSA-N	-1	0	339.395	3.386	1	0		EGAFRM
O=C([O-])CCn1cc(Cn2ccnc2)c2cc(Br)ccc21	ZINC000027100334	202151788	/nfs/dbraw/zinc/15/17/88/202151788.db2.gz	VGAGUWZSTXVJNP-UHFFFAOYSA-N	-1	0	348.200	3.123	1	0		EGAFRM
Cc1ccc(C2=NC(=S)N[C@@H](c3cccnc3)C2CC(=O)[O-])cc1	ZINC000029462082	202187247	/nfs/dbraw/zinc/18/72/47/202187247.db2.gz	OJMYTFZHFIFVSX-KRWDZBQOSA-N	-1	0	339.420	3.206	1	0		EGAFRM
CCC[C@H](CC1(C(=O)Nc2nnc(C)s2)CCCC1)C(=O)[O-]	ZINC000034803304	202277909	/nfs/dbraw/zinc/27/79/09/202277909.db2.gz	FEIWTOVFMGPLGF-LLVKDONJSA-N	-1	0	325.434	3.236	1	0		EGAFRM
C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3[C@@H](O)C2	ZINC000036422946	202326090	/nfs/dbraw/zinc/32/60/90/202326090.db2.gz	SJSXVMKVEKHZPQ-RBLOAEQXSA-N	-1	0	334.456	3.414	1	0		EGAFRM
O=C([O-])c1ccccc1NC(=O)COc1ccc2cc(O)ccc2c1	ZINC000072108872	203163004	/nfs/dbraw/zinc/16/30/04/203163004.db2.gz	FPTAJBHYDCJVQF-UHFFFAOYSA-N	-1	0	337.331	3.261	1	0		EGAFRM
COc1cccc(/C=C/C(=O)[O-])c1OCc1nc(C)c(C)nc1C	ZINC000073139426	203257316	/nfs/dbraw/zinc/25/73/16/203257316.db2.gz	ZNLJDMTXMRHGRE-CMDGGOBGSA-N	-1	0	328.368	3.087	1	0		EGAFRM
C[C@@H](C(=O)[O-])c1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1	ZINC000095604951	203766439	/nfs/dbraw/zinc/76/64/39/203766439.db2.gz	PLHDPJMDBRGPIQ-SZJBZFAYSA-N	-1	0	346.433	3.160	1	0		EGAFRM
C[C@H]1CCC[C@H]1n1c([O-])cc(=O)n(CCc2cccc(Cl)c2)c1=O	ZINC000101678261	204018108	/nfs/dbraw/zinc/01/81/08/204018108.db2.gz	JGCNZILWZBJOMI-SWLSCSKDSA-N	-1	0	348.830	3.252	1	0		EGAFRM
O=C([O-])c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OC(F)(F)O2	ZINC000103250102	204068894	/nfs/dbraw/zinc/06/88/94/204068894.db2.gz	YTEOURWZZXKCER-SOFGYWHQSA-N	-1	0	347.273	3.358	1	0		EGAFRM
Cc1noc([N-]S(=O)(=O)c2cc(C)ccc2C)c1Br	ZINC000026470965	202143718	/nfs/dbraw/zinc/14/37/18/202143718.db2.gz	WTGDNWTUNLFQFJ-UHFFFAOYSA-N	-1	0	345.218	3.163	1	0		EGAFRM
O=C([O-])COc1ccc2c(-c3ccc(O)cc3F)noc2c1Cl	ZINC000027441991	202155116	/nfs/dbraw/zinc/15/51/16/202155116.db2.gz	UFDCBRJATYCFCE-UHFFFAOYSA-N	-1	0	337.690	3.456	1	0		EGAFRM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=S)N1CCOCC1	ZINC000043069897	202507391	/nfs/dbraw/zinc/50/73/91/202507391.db2.gz	JPQWUOYORYMIFT-UHFFFAOYSA-N	-1	0	348.449	3.142	1	0		EGAFRM
O=C([O-])c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1	ZINC000063540053	202807861	/nfs/dbraw/zinc/80/78/61/202807861.db2.gz	IABDKYMGRMDGMM-UHFFFAOYSA-N	-1	0	325.303	3.196	1	0		EGAFRM
CCN(C(=O)c1c([O-])c2c(C)cccc2n(C)c1=O)c1ccccc1	ZINC000101245235	204002416	/nfs/dbraw/zinc/00/24/16/204002416.db2.gz	NNDZSFODGTZLGR-UHFFFAOYSA-N	-1	0	336.391	3.219	1	0		EGAFRM
CCCCc1c([O-])c2cccnc2n(-c2ccc([C@@H](C)O)cc2)c1=O	ZINC000101239034	204002518	/nfs/dbraw/zinc/00/25/18/204002518.db2.gz	XCXMKGJGXQNUOU-CYBMUJFWSA-N	-1	0	338.407	3.487	1	0		EGAFRM
O=C([O-])[C@@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccccc1	ZINC000103255420	204071017	/nfs/dbraw/zinc/07/10/17/204071017.db2.gz	SFTGLDWKERDMBL-KXBFYZLASA-N	-1	0	348.402	3.326	1	0		EGAFRM
O=C([O-])c1cc(-c2ccncc2)nc2n[nH]c(-c3ccc(F)cc3)c21	ZINC000020492244	202046210	/nfs/dbraw/zinc/04/62/10/202046210.db2.gz	GDRAYSPYYKZXOB-UHFFFAOYSA-N	-1	0	334.310	3.476	1	0		EGAFRM
COc1cccc(-c2oc3c(CC(=O)[O-])cccc3c(=O)c2OC)c1	ZINC000027186997	202152709	/nfs/dbraw/zinc/15/27/09/202152709.db2.gz	MQSAPWNHZQSLLC-UHFFFAOYSA-N	-1	0	340.331	3.104	1	0		EGAFRM
CCCc1c(OCCCSCC(=O)[O-])ccc(C(C)=O)c1O	ZINC000027899304	202161714	/nfs/dbraw/zinc/16/17/14/202161714.db2.gz	VIFDCGNIUPVYHU-UHFFFAOYSA-N	-1	0	326.414	3.134	1	0		EGAFRM
CCCCc1cc(C(=O)Nc2nnn[n-]2)nc(-c2cccc(C)c2)c1	ZINC000029315690	202184614	/nfs/dbraw/zinc/18/46/14/202184614.db2.gz	KEIYEEUFVXXOLR-UHFFFAOYSA-N	-1	0	336.399	3.165	1	0		EGAFRM
Cc1ccc(C2=NC(=S)N[C@H](c3cccnc3)C2CC(=O)[O-])cc1	ZINC000029462079	202187008	/nfs/dbraw/zinc/18/70/08/202187008.db2.gz	OJMYTFZHFIFVSX-QGZVFWFLSA-N	-1	0	339.420	3.206	1	0		EGAFRM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@@H]3CC[C@]4(O)C[C@]3(C[C@]43CO3)CC[C@H]12	ZINC000034598637	202274393	/nfs/dbraw/zinc/27/43/93/202274393.db2.gz	BRTPCGPOJBLZMP-ZFSQYJSHSA-N	-1	0	334.456	3.368	1	0		EGAFRM
Cc1c(=O)[n-]oc1C1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1	ZINC000043021205	202505232	/nfs/dbraw/zinc/50/52/32/202505232.db2.gz	GQPZWGHDZGLONB-CVEARBPZSA-N	-1	0	341.411	3.134	1	0		EGAFRM
C[C@@H](Sc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)C(=O)[O-]	ZINC000004945252	201628927	/nfs/dbraw/zinc/62/89/27/201628927.db2.gz	VBAZGFWELKLPEZ-SNVBAGLBSA-N	-1	0	326.377	3.359	3	0		EGAFRM
O=C1CCC[C@@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F	ZINC000103205835	204067089	/nfs/dbraw/zinc/06/70/89/204067089.db2.gz	LMMXKEXFNJMNTI-NSHDSACASA-N	-1	0	341.738	3.222	1	0		EGAFRM
O=C([O-])[C@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccccc1	ZINC000103255417	204070465	/nfs/dbraw/zinc/07/04/65/204070465.db2.gz	SFTGLDWKERDMBL-HNAYVOBHSA-N	-1	0	348.402	3.326	1	0		EGAFRM
COc1c([O-])cc(O)c2c(=O)c(OC)c(-c3ccc(C)cc3)oc12	ZINC000095099374	560062444	/nfs/dbraw/zinc/06/24/44/560062444.db2.gz	BRQLNEYSTDBILN-UHFFFAOYSA-N	-1	0	328.320	3.197	1	0	biogenic,in-vitro	EGAFRM
CCOc1ccc(OCC(=O)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000004282093	210161110	/nfs/dbraw/zinc/16/11/10/210161110.db2.gz	ZMTCZJOHCRHWEN-UHFFFAOYSA-N	-1	0	340.331	3.159	1	0		EGAFRM
O=C(c1ccco1)n1c2ccc(S(=O)(=O)[O-])cc2c2c1CCCC2	ZINC000028124854	202165170	/nfs/dbraw/zinc/16/51/70/202165170.db2.gz	QPIAVSDCNNOEBF-UHFFFAOYSA-N	-1	0	345.376	3.048	1	0		EGAFRM
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1c(C(=O)[O-])n[nH]c12	ZINC000028527764	202173104	/nfs/dbraw/zinc/17/31/04/202173104.db2.gz	STMAPKSCMBBUOL-XASIKMQRSA-N	-1	0	338.407	3.384	1	0		EGAFRM
O=C([O-])C1=Cc2cc(OC(F)(F)F)ccc2O[C@@H]1C(F)(F)F	ZINC000034007319	202271663	/nfs/dbraw/zinc/27/16/63/202271663.db2.gz	CSOISVJKLBMNCK-VIFPVBQESA-N	-1	0	328.164	3.377	1	0		EGAFRM
C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3C[C@H]2O	ZINC000040873538	202466621	/nfs/dbraw/zinc/46/66/21/202466621.db2.gz	KHHQDXVAFQEBIY-WQMQNYNQSA-N	-1	0	334.456	3.414	1	0		EGAFRM
COc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c2c1CCCC2=O	ZINC000001617930	201514060	/nfs/dbraw/zinc/51/40/60/201514060.db2.gz	PNTGKJBORNEWEM-GOSISDBHSA-N	-1	0	326.348	3.419	1	0		EGAFRM
COc1cccc(C(=O)c2ncc(C(=O)[O-])c3ccc(OC)cc32)c1	ZINC000073159144	203258757	/nfs/dbraw/zinc/25/87/57/203258757.db2.gz	XASZGTICNDMVOT-UHFFFAOYSA-N	-1	0	337.331	3.181	1	0		EGAFRM
C[C@@H]1CCC[C@@H]1n1c(=O)cc([O-])n(CCc2ccc(Cl)cc2)c1=O	ZINC000101678319	204018666	/nfs/dbraw/zinc/01/86/66/204018666.db2.gz	ZBMFHOJQGNDBJA-DOMZBBRYSA-N	-1	0	348.830	3.252	1	0		EGAFRM
CCCCCOC[C@H](CO[P@@](=O)([O-])OC)SC(=O)CCC	ZINC000027410067	202154976	/nfs/dbraw/zinc/15/49/76/202154976.db2.gz	XJDLXFFHAMLUMZ-GFCCVEGCSA-N	-1	0	342.394	3.385	1	0		EGAFRM
CC(=O)c1ccc(Cl)cc1OCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000028643658	202174044	/nfs/dbraw/zinc/17/40/44/202174044.db2.gz	MOKPXYHOUCJZCE-UHFFFAOYSA-N	-1	0	347.754	3.258	1	0		EGAFRM
COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(C)=O)cc21	ZINC000029478125	202188222	/nfs/dbraw/zinc/18/82/22/202188222.db2.gz	HTXFMCWDJUQLAB-UHFFFAOYSA-N	-1	0	338.363	3.355	1	0		EGAFRM
O=C([O-])Cn1c2ccccc2c2c1CCN(C(=O)Nc1ccccc1)C2	ZINC000096271107	203887657	/nfs/dbraw/zinc/88/76/57/203887657.db2.gz	PUZHLYRRBZSLLV-UHFFFAOYSA-N	-1	0	349.390	3.316	1	0		EGAFRM
CCCc1c(OCCCCCCc2nn[n-]n2)ccc(C(C)=O)c1O	ZINC000005844347	1443749089	/nfs/dbraw/zinc/74/90/89/1443749089.db2.gz	WOXRHRBPWQWPSP-UHFFFAOYSA-N	-1	0	346.431	3.242	1	0		EGAFRM
CCOC(=O)c1c([O-])c2cc(Cc3ccccc3)ccc2n(C)c1=O	ZINC000101681034	219156065	/nfs/dbraw/zinc/15/60/65/219156065.db2.gz	SSOBFBZDUXEEPZ-UHFFFAOYSA-N	-1	0	337.375	3.012	1	0		EGAFRM
COc1cc(OC)c(C(=O)c2ccccc2)c([O-])c1Br	ZINC000103201760	219268958	/nfs/dbraw/zinc/26/89/58/219268958.db2.gz	CANDMIGKZBEBIP-UHFFFAOYSA-N	-1	0	337.169	3.403	1	0		EGAFRM
CCOc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1	ZINC000000211699	209486744	/nfs/dbraw/zinc/48/67/44/209486744.db2.gz	WDJFGEJRLSPZNF-IAGOWNOFSA-N	-1	0	325.364	3.080	1	0		EGAFRM
COc1ccccc1-c1cc2nc(C)c(CCC(=O)[O-])c(C)n2n1	ZINC000004992219	210353089	/nfs/dbraw/zinc/35/30/89/210353089.db2.gz	JIIZPBFHXQXXCT-UHFFFAOYSA-N	-1	0	325.368	3.039	1	0		EGAFRM
C[C@@H]1CC[C@]2(C)C(C(=O)[O-])=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1O	ZINC000013484129	560217340	/nfs/dbraw/zinc/21/73/40/560217340.db2.gz	JMRXLJIRIMJFBW-LTMKFNFZSA-N	-1	0	348.439	3.432	1	0	biogenic,in-vitro	EGAFRM
O=C([O-])CN1c2ccccc2CC[C@@H](Sc2ccccc2)C1=O	ZINC000053298061	214175122	/nfs/dbraw/zinc/17/51/22/214175122.db2.gz	YHXVWBFNDCUMJQ-MRXNPFEDSA-N	-1	0	327.405	3.211	1	0		EGAFRM
O=C([O-])c1cn(C2CC2)c2c(F)c(-c3ccncc3)c(F)cc2c1=O	ZINC000013832980	211648791	/nfs/dbraw/zinc/64/87/91/211648791.db2.gz	HFRJZHBLHFAUHM-UHFFFAOYSA-N	-1	0	342.301	3.375	1	0		EGAFRM
O=c1oc2ccccc2c([O-])c1CCCOc1cccc(CO)c1	ZINC000013738202	211627045	/nfs/dbraw/zinc/62/70/45/211627045.db2.gz	HVTLPCPFJJKTDL-UHFFFAOYSA-N	-1	0	326.348	3.003	1	0		EGAFRM
O=C([O-])Cn1c(=O)c(/C=C/c2ccccc2)nc2ccc(Cl)cc21	ZINC000169342613	534509948	/nfs/dbraw/zinc/50/99/48/534509948.db2.gz	MYQZKYBADQFJNT-SOFGYWHQSA-N	-1	0	340.766	3.305	1	0		EGAFRM
O=C([O-])c1ccc(-c2ccc3ncnc(NC[C@@H]4CCCO4)c3c2)o1	ZINC000066139872	215015966	/nfs/dbraw/zinc/01/59/66/215015966.db2.gz	UNRGMDFGOBNOBE-LBPRGKRZSA-N	-1	0	339.351	3.179	1	0		EGAFRM
O=S1(=O)c2ccccc2C([O-])=CN1Cc1ccc2ccccc2c1	ZINC000003630079	210068699	/nfs/dbraw/zinc/06/86/99/210068699.db2.gz	TVRVBUDTMISAFE-UHFFFAOYSA-N	-1	0	337.400	3.227	1	0		EGAFRM
CCSc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)[O-]	ZINC000103181483	219266856	/nfs/dbraw/zinc/26/68/56/219266856.db2.gz	WPSKMNOPHARDTC-UHFFFAOYSA-N	-1	0	336.369	3.096	1	0		EGAFRM
Cc1c(N2CCCCC2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000000006771	525823928	/nfs/dbraw/zinc/82/39/28/525823928.db2.gz	KBAHEKGQIARQCU-UHFFFAOYSA-N	-1	0	326.396	3.333	1	0		EGAFRM
O=C([O-])c1ccc(NC(=O)C2c3nc4ccccc4n3CCC2=O)cc1	ZINC000100040049	219089141	/nfs/dbraw/zinc/08/91/41/219089141.db2.gz	OAGQROUPOXOHBK-UHFFFAOYSA-N	-1	0	349.346	3.046	1	0		EGAFRM
O=c1cc([O-])n(C2CCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1	ZINC000101678082	219154835	/nfs/dbraw/zinc/15/48/35/219154835.db2.gz	BPHFQSNAQYOYJQ-UHFFFAOYSA-N	-1	0	340.301	3.333	1	0		EGAFRM
C[C@@H]1CC[C@H](n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678248	219155207	/nfs/dbraw/zinc/15/52/07/219155207.db2.gz	PROGJMDSZVGORE-DOMZBBRYSA-N	-1	0	348.830	3.252	1	0		EGAFRM
CCCCCCC(O)=C1C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O	ZINC000102561590	219210392	/nfs/dbraw/zinc/21/03/92/219210392.db2.gz	VHKFVGCMGLSMLG-SQFISAMPSA-N	-1	0	346.383	3.061	3	0		EGAFRM
COCC[C@H](CC1(C(=O)NCCc2ccccc2)CCCC1)C(=O)[O-]	ZINC000028641708	212629103	/nfs/dbraw/zinc/62/91/03/212629103.db2.gz	PMEOGCNCBJPTSU-QGZVFWFLSA-N	-1	0	347.455	3.033	1	0		EGAFRM
O=C([O-])CCCN1C(=O)c2ccccc2[C@H]2C(=O)c3ccccc3[C@@H]21	ZINC000028472828	212621106	/nfs/dbraw/zinc/62/11/06/212621106.db2.gz	BZJJJKWDOPUELD-MSOLQXFVSA-N	-1	0	335.359	3.028	1	0		EGAFRM
O=C([O-])c1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1cccnc1	ZINC000004821567	210287394	/nfs/dbraw/zinc/28/73/94/210287394.db2.gz	YDZWDPMUMGGSEL-UHFFFAOYSA-N	-1	0	329.743	3.096	1	0		EGAFRM
CC[C@@H](C(=O)[O-])n1nnc(-c2ccc(-c3ccc(OC)cc3)cc2)n1	ZINC000000919941	209696083	/nfs/dbraw/zinc/69/60/83/209696083.db2.gz	JRNADSIBOUZAKH-INIZCTEOSA-N	-1	0	338.367	3.051	3	0		EGAFRM
CC1(C)[C@H]2CC[C@H](C2)[C@]12CCc1c([O-])c(C=O)c(O)c(C=O)c1O2	ZINC000072110314	216010453	/nfs/dbraw/zinc/01/04/53/216010453.db2.gz	JGVKRZSHJVFWEU-ZDCWMAILSA-N	-1	0	330.380	3.243	1	0		EGAFRM
C[C@]12CC[C@@H]3c4ccc(CS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000029326445	212662475	/nfs/dbraw/zinc/66/24/75/212662475.db2.gz	KTOSYMXOUIUBND-VXNCWWDNSA-N	-1	0	348.464	3.500	1	0		EGAFRM
O=C([O-])CN1C(=O)/C(=C/c2cccc(Cl)c2)Oc2ccccc21	ZINC000000216779	135647113	/nfs/dbraw/zinc/64/71/13/135647113.db2.gz	URUFNZAKCQBPLU-DHDCSXOGSA-N	-1	0	329.739	3.191	3	0		EGAFRM
CCCCC/C=C/C[C@@H](O)[C@@H](O)C(=O)CCCCCCC(=O)[O-]	ZINC000013338863	574413155	/nfs/dbraw/zinc/41/31/55/574413155.db2.gz	NIOKCFABUMZUDL-VBOZERGBSA-N	-1	0	328.449	3.229	1	0	endogenous,in-man	EGAFRM
C[C@H]1CCC[C@@H]1n1c(=O)cc([O-])n(CCc2ccc(Cl)cc2)c1=O	ZINC000101678281	219154627	/nfs/dbraw/zinc/15/46/27/219154627.db2.gz	ZBMFHOJQGNDBJA-WFASDCNBSA-N	-1	0	348.830	3.252	1	0		EGAFRM
Cn1cc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)c2ccccc21	ZINC000004057246	210108959	/nfs/dbraw/zinc/10/89/59/210108959.db2.gz	SJIYYDALBFKPSZ-ROUUACIJSA-N	-1	0	334.375	3.173	3	0		EGAFRM
Nc1nc(-c2ccc(Cl)c(Cl)c2)c(Br)c(=O)[n-]1	ZINC000003653772	210072034	/nfs/dbraw/zinc/07/20/34/210072034.db2.gz	ZUTMRDOREZJGSK-UHFFFAOYSA-N	-1	0	334.988	3.088	1	0		EGAFRM
O=C(C(NNc1ccc(F)cc1)=C([O-])c1cccs1)C(F)(F)F	ZINC000103194297	219268480	/nfs/dbraw/zinc/26/84/80/219268480.db2.gz	QSYVSTCXYJZNAI-LLVKDONJSA-N	-1	0	346.305	3.187	1	0		EGAFRM
COc1ccc(Oc2cc(=O)c3c(O)c(OC)c([O-])cc3o2)cc1	ZINC000014811471	290993406	/nfs/dbraw/zinc/99/34/06/290993406.db2.gz	ZFSSSVBLDHAXFV-UHFFFAOYSA-N	-1	0	330.292	3.014	1	0	biogenic,in-vitro	EGAFRM
Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccnc3)c2)c1C	ZINC000020580436	212149789	/nfs/dbraw/zinc/14/97/89/212149789.db2.gz	OISPDAXQRXWQHW-UHFFFAOYSA-N	-1	0	343.408	3.463	1	0		EGAFRM
COc1ccc2c(C(=O)N(C)CC(=O)[O-])cccc2c1C(F)(F)F	ZINC000013823629	211645512	/nfs/dbraw/zinc/64/55/12/211645512.db2.gz	DOYFHMNOYUOORG-UHFFFAOYSA-N	-1	0	341.285	3.024	1	0		EGAFRM
Cc1noc([N-]S(=O)(=O)c2ccc3cccc(N(C)C)c3c2)c1C	ZINC000013602386	211589841	/nfs/dbraw/zinc/58/98/41/211589841.db2.gz	CDAANMFWIWNGIT-UHFFFAOYSA-N	-1	0	345.424	3.311	1	0		EGAFRM
CCCCCC[C@H](O)C/C=C/[C@H](O)CC[C@@H](O)CCCC(=O)[O-]	ZINC000014815718	571724898	/nfs/dbraw/zinc/72/48/98/571724898.db2.gz	LGADJSRSYLFTSG-VCPOPGDPSA-N	-1	0	330.465	3.021	1	0	endogenous,in-man	EGAFRM
O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000004637623	210235946	/nfs/dbraw/zinc/23/59/46/210235946.db2.gz	YSDNWNOGHQYWPK-BOOASOPXSA-N	-1	0	326.179	3.455	1	0		EGAFRM
C=Cc1ccc(C(=O)OCC)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000103238857	219273649	/nfs/dbraw/zinc/27/36/49/219273649.db2.gz	JAEDWHSEHMTCCM-UHFFFAOYSA-N	-1	0	331.393	3.307	1	0		EGAFRM
CC1(C)[C@H]2C[C@@H]1C[C@@H]1Cc3c([O-])c(C=O)c(O)c(C=O)c3O[C@]21C	ZINC000072109069	216010295	/nfs/dbraw/zinc/01/02/95/216010295.db2.gz	KBBKKJGGHCMEAF-HXWVLOFQSA-N	-1	0	330.380	3.099	1	0		EGAFRM
CC(=O)Nc1ccc2c(c1)C(=O)c1cc(CC(=O)[O-])ccc1SC2	ZINC000028569004	212624855	/nfs/dbraw/zinc/62/48/55/212624855.db2.gz	OWUJPQVKEBVLJL-UHFFFAOYSA-N	-1	0	341.388	3.109	1	0		EGAFRM
Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2C/C=C\CCC(=O)[O-])cc1	ZINC000028230343	212606494	/nfs/dbraw/zinc/60/64/94/212606494.db2.gz	GIQDDMZJUFQGMK-KYVUIXNKSA-N	-1	0	349.452	3.173	1	0		EGAFRM
O=C([O-])[C@H]1CCn2c(C(=O)c3ccc(Br)cc3)ccc21	ZINC000025992000	212504174	/nfs/dbraw/zinc/50/41/74/212504174.db2.gz	SFRVPRYKCMAUMK-NSHDSACASA-N	-1	0	334.169	3.054	1	0		EGAFRM
Cc1[nH]c(C(=O)[O-])c(/C=C/C(=O)Nc2ccccc2)c1Br	ZINC000013778822	211635885	/nfs/dbraw/zinc/63/58/85/211635885.db2.gz	WFQXQYIGSNZXJJ-BQYQJAHWSA-N	-1	0	349.184	3.436	1	0		EGAFRM
O=C(Nc1ccc(Cl)cc1)C1=C([O-])[C@@H](c2ccccc2)OC1=O	ZINC000101138970	219117230	/nfs/dbraw/zinc/11/72/30/219117230.db2.gz	OGXDQPQWWBRNME-OAHLLOKOSA-N	-1	0	329.739	3.389	1	0		EGAFRM
CCCCCCc1ccc(S(=O)(=O)[N-]c2nncs2)cc1	ZINC000066073902	215006690	/nfs/dbraw/zinc/00/66/90/215006690.db2.gz	UDKVFORBGGGOMV-UHFFFAOYSA-N	-1	0	325.459	3.462	1	0		EGAFRM
COc1cc(OC)nc(Oc2ccc(C(F)(F)F)cc2C(=O)[O-])n1	ZINC000103190561	219267425	/nfs/dbraw/zinc/26/74/25/219267425.db2.gz	ARAUVQFAKUOXLF-UHFFFAOYSA-N	-1	0	344.245	3.003	1	0		EGAFRM
O=C([O-])c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1	ZINC000035965396	213053469	/nfs/dbraw/zinc/05/34/69/213053469.db2.gz	CDQXORKPLJMKQR-UHFFFAOYSA-N	-1	0	331.327	3.268	1	0		EGAFRM
O=C([O-])Cn1c2ccccc2c2c1C(=S)N(c1ccccc1)CC2	ZINC000073197724	216362632	/nfs/dbraw/zinc/36/26/32/216362632.db2.gz	RCUTXPKCFFCLNK-UHFFFAOYSA-N	-1	0	336.416	3.464	1	0		EGAFRM
O=C([O-])c1cn2c(n1)N=[S@@](=O)(c1ccccc1)c1ccccc1-2	ZINC000084428708	217603731	/nfs/dbraw/zinc/60/37/31/217603731.db2.gz	FFGCDHAOGXRNNB-HSZRJFAPSA-N	-1	0	325.349	3.102	1	0		EGAFRM
CCCCCC(=O)N1CCc2c(c3ccccc3n2CC(=O)[O-])C1	ZINC000038237739	213206677	/nfs/dbraw/zinc/20/66/77/213206677.db2.gz	SQRAGDYNURAFHV-UHFFFAOYSA-N	-1	0	328.412	3.191	1	0		EGAFRM
CCOc1ccc(NC(=O)Cc2c3ccccc3[nH]c2C(=O)[O-])cc1	ZINC000000201547	209481151	/nfs/dbraw/zinc/48/11/51/209481151.db2.gz	NLKTWUUXXGAPJA-UHFFFAOYSA-N	-1	0	338.363	3.446	1	0		EGAFRM
Cc1cc(C(=O)[O-])nn1Cc1cc(Cl)cc2nc(C(C)C)cn21	ZINC000073196829	216362015	/nfs/dbraw/zinc/36/20/15/216362015.db2.gz	IFKCZJOICRGQGI-UHFFFAOYSA-N	-1	0	332.791	3.363	1	0		EGAFRM
COc1ccc(Oc2cnccc2[N-]S(=O)(=O)C(F)(F)F)cc1	ZINC000013586687	211587536	/nfs/dbraw/zinc/58/75/36/211587536.db2.gz	MDPRFMFQKOLHCO-UHFFFAOYSA-N	-1	0	348.302	3.144	1	0		EGAFRM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(O)CO)CC[C@H]12	ZINC000006491271	452947628	/nfs/dbraw/zinc/94/76/28/452947628.db2.gz	MRBLTWPEPGRXQN-WMUQSPHGSA-N	-1	0	336.472	3.207	1	0	biogenic,in-vitro	EGAFRM
CCN(C(=O)c1c([O-])c2c(F)cccc2n(C)c1=O)c1ccccc1	ZINC000100819327	219107839	/nfs/dbraw/zinc/10/78/39/219107839.db2.gz	XNDBGOIFJVDFIY-UHFFFAOYSA-N	-1	0	340.354	3.050	1	0		EGAFRM
Cc1ccc2c(c1)c1c(n2CC(=O)[O-])CCN(C(=O)c2ccccc2)C1	ZINC000035900135	213051656	/nfs/dbraw/zinc/05/16/56/213051656.db2.gz	LDSARCQHFZFTIO-UHFFFAOYSA-N	-1	0	348.402	3.233	1	0		EGAFRM
COCCCc1cc2n(c1C(=O)c1ccc(F)cc1)CC[C@@H]2C(=O)[O-]	ZINC000027977820	212591739	/nfs/dbraw/zinc/59/17/39/212591739.db2.gz	DPSCQKPYHMZFEG-HNNXBMFYSA-N	-1	0	345.370	3.009	1	0		EGAFRM
COc1cc(OC)cc(C(=O)C=C([O-])c2cc(OC)cc(OC)c2)c1	ZINC000102984156	219245963	/nfs/dbraw/zinc/24/59/63/219245963.db2.gz	IDUBITABPMAFNI-UHFFFAOYSA-N	-1	0	344.363	3.177	1	0		EGAFRM
CC(C)/C=C/c1c(O)cc(/C=C/C2=CC(=O)O[C@H]2CC(=O)[O-])cc1O	ZINC000103214711	219271947	/nfs/dbraw/zinc/27/19/47/219271947.db2.gz	CFGAXJGTRRBMTC-OYVZAROOSA-N	-1	0	344.363	3.107	1	0		EGAFRM
O=C([O-])c1cn2c(n1)N=[S@](=O)(c1ccccc1)c1ccccc1-2	ZINC000040632204	213362326	/nfs/dbraw/zinc/36/23/26/213362326.db2.gz	FFGCDHAOGXRNNB-QHCPKHFHSA-N	-1	0	325.349	3.102	1	0		EGAFRM
Cc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(O)c2)c2ccccc2n1	ZINC000035049763	213004943	/nfs/dbraw/zinc/00/49/43/213004943.db2.gz	VQBNLKFPCUSPQO-UHFFFAOYSA-N	-1	0	337.335	3.013	1	0		EGAFRM
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@H]1CC[C@@]13C[C@@H](CC=C12)[C@@](O)(CO)C3	ZINC000015061065	574413733	/nfs/dbraw/zinc/41/37/33/574413733.db2.gz	QSJIZGQGHYROGD-CZOCOAOWSA-N	-1	0	334.456	3.127	1	0	endogenous,in-man	EGAFRM
CCCCCC[C@H](O)C/C=C/[C@@H](O)CC[C@H](O)CCCC(=O)[O-]	ZINC000033822316	574414070	/nfs/dbraw/zinc/41/40/70/574414070.db2.gz	LGADJSRSYLFTSG-FFDHZPTDSA-N	-1	0	330.465	3.021	1	0	endogenous,in-man	EGAFRM
C[C@]12CCC(C(=O)[O-])=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]12	ZINC000066260065	215029495	/nfs/dbraw/zinc/02/94/95/215029495.db2.gz	KUBFMFNUVAVJPX-MWTROVGWSA-N	-1	0	329.440	3.439	1	0		EGAFRM
O=C([O-])[C@@H]1CCn2c1cc(Br)c2C(=O)c1ccccc1	ZINC000027899555	212584093	/nfs/dbraw/zinc/58/40/93/212584093.db2.gz	ZNSYQDFVVYYYIZ-SNVBAGLBSA-N	-1	0	334.169	3.054	1	0		EGAFRM
CC(C)(C(=O)[O-])c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O	ZINC000026389826	212517826	/nfs/dbraw/zinc/51/78/26/212517826.db2.gz	LJCGAAPCQKKSPA-KBXCAEBGSA-N	-1	0	326.392	3.334	1	0		EGAFRM
Cc1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1	ZINC000000308374	1291020234	/nfs/dbraw/zinc/02/02/34/1291020234.db2.gz	LLDJWMBKQIRZGQ-UHFFFAOYSA-N	-1	0	340.404	3.405	3	0		EGAFRM
Cc1cccc(Sc2cc3c(cc2N)c(=O)c(C(=O)[O-])cn3C)c1	ZINC000040864030	213394882	/nfs/dbraw/zinc/39/48/82/213394882.db2.gz	IKPJSPWFHBTWBV-UHFFFAOYSA-N	-1	0	340.404	3.279	1	0		EGAFRM
C[C@@H]1C(=O)N(CCCc2ccccc2)[C@]1(Cc1ccccc1)C(=O)[O-]	ZINC000072116862	216012212	/nfs/dbraw/zinc/01/22/12/216012212.db2.gz	JFKSPNJNXCFFPD-IERDGZPVSA-N	-1	0	337.419	3.164	1	0		EGAFRM
O=C([O-])CCCN1C(=O)c2ccccc2[C@@H]2C(=O)c3ccccc3[C@H]21	ZINC000028472824	212620493	/nfs/dbraw/zinc/62/04/93/212620493.db2.gz	BZJJJKWDOPUELD-ZWKOTPCHSA-N	-1	0	335.359	3.028	1	0		EGAFRM
CCOc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)[O-])cc1	ZINC000028224624	212605638	/nfs/dbraw/zinc/60/56/38/212605638.db2.gz	OUBDKPWZMHIFSY-CYBMUJFWSA-N	-1	0	345.420	3.412	1	0		EGAFRM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc4c(c3)COC4=O)s2)N1	ZINC000073222397	216366892	/nfs/dbraw/zinc/36/68/92/216366892.db2.gz	CSIJBBBVDFONNS-WUXMJOGZSA-N	-1	0	326.333	3.106	1	0		EGAFRM
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC=C3[C@H]1CCC2=O	ZINC000004978768	452830708	/nfs/dbraw/zinc/83/07/08/452830708.db2.gz	YJBYRYVLFAUXBJ-KYJSFNMBSA-N	-1	0	348.420	3.214	1	0		EGAFRM
CCCCC/C=C/C[C@H](O)[C@@H](O)C(=O)CCCCCCC(=O)[O-]	ZINC000100783746	571840620	/nfs/dbraw/zinc/84/06/20/571840620.db2.gz	NIOKCFABUMZUDL-XXZBLLBMSA-N	-1	0	328.449	3.229	1	0	endogenous,in-man	EGAFRM
O=C([O-])c1ccc(N2C(=O)C(=Cc3ccc(F)cc3)NC2=S)cc1	ZINC000028382291	212616650	/nfs/dbraw/zinc/61/66/50/212616650.db2.gz	WXRVNKAVFXSDDL-ZROIWOOFSA-N	-1	0	342.351	3.197	1	0		EGAFRM
CCCCCC[C@@H](O)C/C=C/[C@@H](O)CC[C@@H](O)CCCC(=O)[O-]	ZINC000014815715	571724299	/nfs/dbraw/zinc/72/42/99/571724299.db2.gz	LGADJSRSYLFTSG-PQEFCEBDSA-N	-1	0	330.465	3.021	1	0	endogenous,in-man	EGAFRM
C[C@@H]1CCC[C@@H]1n1c([O-])cc(=O)n(CCc2cccc(Cl)c2)c1=O	ZINC000101678264	219155351	/nfs/dbraw/zinc/15/53/51/219155351.db2.gz	JGCNZILWZBJOMI-DOMZBBRYSA-N	-1	0	348.830	3.252	1	0		EGAFRM
CC1(C)[C@@H]2C[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c([O-])c4C[C@H]3C[C@@H]21	ZINC000072110228	216010489	/nfs/dbraw/zinc/01/04/89/216010489.db2.gz	FMLJQHAAKTUEQX-DPEIADNHSA-N	-1	0	330.380	3.099	1	0		EGAFRM
O=C([O-])COc1ncnc2cc(-c3ccc4[nH]ccc4c3)sc21	ZINC000072124512	216016541	/nfs/dbraw/zinc/01/65/41/216016541.db2.gz	JPXVXGRMJLCBEF-UHFFFAOYSA-N	-1	0	325.349	3.303	1	0		EGAFRM
CCCCCC[C@@H](O)C/C=C/[C@H](O)CC[C@@H](O)CCCC(=O)[O-]	ZINC000014815717	571724894	/nfs/dbraw/zinc/72/48/94/571724894.db2.gz	LGADJSRSYLFTSG-OAHMWZIQSA-N	-1	0	330.465	3.021	1	0	endogenous,in-man	EGAFRM
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c2c1CCC2	ZINC000001549243	581092992	/nfs/dbraw/zinc/09/29/92/581092992.db2.gz	CEYPDXWCYTVSDN-UHFFFAOYSA-N	-1	0	341.363	3.313	1	0		EGAFRM
O=S(=O)([N-]c1ccncc1NC1CCCCCC1)C(F)(F)F	ZINC000049014394	581101696	/nfs/dbraw/zinc/10/16/96/581101696.db2.gz	PEIXSXDMECGKSF-UHFFFAOYSA-N	-1	0	337.367	3.478	1	0		EGAFRM
O=C([O-])COc1c(O)cccc1OCc1ccc(C(F)(F)F)cc1	ZINC000028825952	212639172	/nfs/dbraw/zinc/63/91/72/212639172.db2.gz	WEOXJKKJYFNUIV-UHFFFAOYSA-N	-1	0	342.269	3.453	1	0		EGAFRM
CC1(C)Oc2ccc(-c3coc4cc([O-])ccc4c3=O)cc2C[C@H]1O	ZINC000013408707	560216388	/nfs/dbraw/zinc/21/63/88/560216388.db2.gz	IPXXMSXJVCGTCG-GOSISDBHSA-N	-1	0	338.359	3.240	1	0	biogenic,in-vitro	EGAFRM
CCCCC/C=C/C[C@H](O)[C@H](O)C(=O)CCCCCCC(=O)[O-]	ZINC000100783751	571840674	/nfs/dbraw/zinc/84/06/74/571840674.db2.gz	NIOKCFABUMZUDL-BJSLICBWSA-N	-1	0	328.449	3.229	1	0	endogenous,in-man	EGAFRM
CCCCCC[C@H](O)C/C=C/[C@H](O)CC[C@H](O)CCCC(=O)[O-]	ZINC000033822314	574414089	/nfs/dbraw/zinc/41/40/89/574414089.db2.gz	LGADJSRSYLFTSG-SNXCEOOMSA-N	-1	0	330.465	3.021	1	0	endogenous,in-man	EGAFRM
Cn1cc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)c2ccccc21	ZINC000004057244	210108929	/nfs/dbraw/zinc/10/89/29/210108929.db2.gz	SJIYYDALBFKPSZ-MSOLQXFVSA-N	-1	0	334.375	3.173	3	0		EGAFRM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](C(Cl)(Cl)Cl)N1	ZINC000103170764	219265718	/nfs/dbraw/zinc/26/57/18/219265718.db2.gz	RLLMGLXVDLFPKW-GXSJLCMTSA-N	-1	0	333.602	3.178	1	0		EGAFRM
Cc1ccnc(NC(=O)c2ccc(Br)cc2C(=O)[O-])c1	ZINC000103233784	219273877	/nfs/dbraw/zinc/27/38/77/219273877.db2.gz	LZLNXCIQFRZLCM-UHFFFAOYSA-N	-1	0	335.157	3.103	1	0		EGAFRM
O=S(=O)([N-]c1nc2cc(Cl)ccc2o1)c1ccc(F)cc1	ZINC000036241887	213078776	/nfs/dbraw/zinc/07/87/76/213078776.db2.gz	VTRHUHSPKTUZSR-UHFFFAOYSA-N	-1	0	326.736	3.421	1	0		EGAFRM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)Nc1ccc(Cl)cn1	ZINC000000201632	209480939	/nfs/dbraw/zinc/48/09/39/209480939.db2.gz	ZCBKPWXSQNRSKY-UHFFFAOYSA-N	-1	0	329.743	3.096	1	0		EGAFRM
CCO[C@@H](Cc1ccc(CC[C@H](O)c2ccccc2)cc1)C(=O)[O-]	ZINC000028822027	581098203	/nfs/dbraw/zinc/09/82/03/581098203.db2.gz	HFOVQASTMIIFQS-OALUTQOASA-N	-1	0	328.408	3.385	1	0		EGAFRM
O=C([O-])COc1ccc(Br)cc1C(=O)c1ccccc1	ZINC000036127025	213071221	/nfs/dbraw/zinc/07/12/21/213071221.db2.gz	QCXHRPLPQPZWKP-UHFFFAOYSA-N	-1	0	335.153	3.144	1	0	in-vivo	EGAFRM
CCc1c(C)n(C(=O)c2ccco2)c2ccc(S(=O)(=O)[O-])cc12	ZINC000028121657	212600791	/nfs/dbraw/zinc/60/07/91/212600791.db2.gz	SCPGSSWDUKGPEH-UHFFFAOYSA-N	-1	0	333.365	3.040	1	0		EGAFRM
COc1cc(OC)cc(/C(=C\C(=O)[O-])c2ccc(OC)c(OC)c2)c1	ZINC000073160187	216358128	/nfs/dbraw/zinc/35/81/28/216358128.db2.gz	RBVOODFAPAASGF-WJDWOHSUSA-N	-1	0	344.363	3.237	1	0		EGAFRM
C[C@]12CC[C@@H]3c4cc5c(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)[N-]5	ZINC000084634509	217623645	/nfs/dbraw/zinc/62/36/45/217623645.db2.gz	QJHGMHTVCYVQCE-JPVZDGGYSA-N	-1	0	347.436	3.161	1	0		EGAFRM
C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC=C3[C@@H]1CCC2=O	ZINC000005764555	452901628	/nfs/dbraw/zinc/90/16/28/452901628.db2.gz	YJBYRYVLFAUXBJ-ZVZYQTTQSA-N	-1	0	348.420	3.214	1	0		EGAFRM
COc1cc([O-])cc2oc(Oc3ccc(O)cc3)c(OC)c(=O)c12	ZINC000095486294	560061486	/nfs/dbraw/zinc/06/14/86/560061486.db2.gz	AVLYCVUJOWBIOL-UHFFFAOYSA-N	-1	0	330.292	3.014	1	0	biogenic,in-vitro	EGAFRM
O=C([O-])c1cc(O)ccc1NC(=O)/C=C/C=C/c1ccc(O)cc1	ZINC000013374806	571698719	/nfs/dbraw/zinc/69/87/19/571698719.db2.gz	FRNDILDQFSAXAR-ZPUQHVIOSA-N	-1	0	325.320	3.004	1	0	endogenous,in-man	EGAFRM
CCc1cc(=O)oc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c(=O)c12	ZINC000066076796	215006678	/nfs/dbraw/zinc/00/66/78/215006678.db2.gz	PRCHVHHSRHWAIW-UHFFFAOYSA-N	-1	0	336.269	3.125	1	0		EGAFRM
Cc1ccc(NC(=O)c2ccc(Br)cc2C(=O)[O-])cn1	ZINC000103233788	219273172	/nfs/dbraw/zinc/27/31/72/219273172.db2.gz	QREVNDHHRYLAOW-UHFFFAOYSA-N	-1	0	335.157	3.103	1	0		EGAFRM
Cc1c(C(=O)[O-])c(C(=O)NC(C)(C)C)nn1-c1ccc(Cl)cc1	ZINC000038961803	213230765	/nfs/dbraw/zinc/23/07/65/213230765.db2.gz	IZTMRGGKXLAIND-UHFFFAOYSA-N	-1	0	335.791	3.061	1	0		EGAFRM
CCN(Cc1ccccc1)C(=O)Cc1c2ccccc2[nH]c1C(=O)[O-]	ZINC000000201612	209480469	/nfs/dbraw/zinc/48/04/69/209480469.db2.gz	WAFXCYCMYRSMRN-UHFFFAOYSA-N	-1	0	336.391	3.457	1	0		EGAFRM
O=C(Nc1ccc(Cl)cc1)C1=C([O-])[C@H](c2ccccc2)OC1=O	ZINC000101138975	219117119	/nfs/dbraw/zinc/11/71/19/219117119.db2.gz	OGXDQPQWWBRNME-HNNXBMFYSA-N	-1	0	329.739	3.389	1	0		EGAFRM
C[C@H](Sc1nnc(COc2ccc3ccccc3c2)n1C)C(=O)[O-]	ZINC000004163443	210135805	/nfs/dbraw/zinc/13/58/05/210135805.db2.gz	KCRQTADOKGDCMN-NSHDSACASA-N	-1	0	343.408	3.113	3	0		EGAFRM
COc1cccc(C([O-])=CC(=O)C(=O)Nc2ccc(C)cc2Cl)c1	ZINC000101778295	219164051	/nfs/dbraw/zinc/16/40/51/219164051.db2.gz	ARHBIUGPTUYNDM-UHFFFAOYSA-N	-1	0	345.782	3.438	3	0		EGAFRM
CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3C(=O)C[C@]12C	ZINC000027519073	212560777	/nfs/dbraw/zinc/56/07/77/212560777.db2.gz	ZQCSJJQQYKPWLR-BNBVTTENSA-N	-1	0	348.439	3.047	1	0		EGAFRM
O=C([O-])c1ccc([S@@](=O)Cc2cccc(C(F)(F)F)c2)cn1	ZINC000139269577	223709896	/nfs/dbraw/zinc/70/98/96/223709896.db2.gz	CIOGQSQETRHQJN-JOCHJYFZSA-N	-1	0	329.299	3.106	1	0		EGAFRM
CCCCOc1cccc(N2CCC(=O)N2CCCCCC(=O)[O-])c1	ZINC000169344322	528696207	/nfs/dbraw/zinc/69/62/07/528696207.db2.gz	UHXWMMNVMUEOKJ-UHFFFAOYSA-N	-1	0	348.443	3.464	1	0		EGAFRM
CCCCC[C@@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000014815736	574413671	/nfs/dbraw/zinc/41/36/71/574413671.db2.gz	MDIUMSLCYIJBQC-WFZKJPOOSA-N	-1	0	330.465	3.021	1	0	endogenous,in-man	EGAFRM
CNC(=O)c1cccc(Nc2nc(C(=O)[O-])cc3sccc32)c1	ZINC000066099349	215010063	/nfs/dbraw/zinc/01/00/63/215010063.db2.gz	LPGQIEZBJSQDAW-UHFFFAOYSA-N	-1	0	327.365	3.098	1	0		EGAFRM
Cc1cc(NC(=O)c2ccc(Br)cc2C(=O)[O-])ccn1	ZINC000103233790	219273403	/nfs/dbraw/zinc/27/34/03/219273403.db2.gz	VUEVZNCCLVVJSD-UHFFFAOYSA-N	-1	0	335.157	3.103	1	0		EGAFRM
COc1cc2c(C(=O)[O-])cnc(C(=O)c3ccccc3)c2cc1OC	ZINC000073141593	216354748	/nfs/dbraw/zinc/35/47/48/216354748.db2.gz	BPNJWGYAZGWPOV-UHFFFAOYSA-N	-1	0	337.331	3.181	1	0		EGAFRM
O=C([O-])c1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)OCO2	ZINC000013531927	211573264	/nfs/dbraw/zinc/57/32/64/211573264.db2.gz	JRTRHAJORIWUJX-UHFFFAOYSA-N	-1	0	334.715	3.411	1	0		EGAFRM
CC(C)Oc1cc([O-])cc2oc(-c3ccc(O)cc3)c(O)c(=O)c12	ZINC000085569515	560069877	/nfs/dbraw/zinc/06/98/77/560069877.db2.gz	MLLVHYVXGMDIRP-UHFFFAOYSA-N	-1	0	328.320	3.364	1	0	biogenic,in-vitro	EGAFRM
CC1(C)CC(=O)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C([O-])C1	ZINC000101149398	219118227	/nfs/dbraw/zinc/11/82/27/219118227.db2.gz	SHFUWUPRZXSPJS-UHFFFAOYSA-N	-1	0	327.302	3.218	1	0		EGAFRM
C[C@@H](Sc1nnc(COc2ccc3ccccc3c2)n1C)C(=O)[O-]	ZINC000004163461	210134783	/nfs/dbraw/zinc/13/47/83/210134783.db2.gz	KCRQTADOKGDCMN-LLVKDONJSA-N	-1	0	343.408	3.113	3	0		EGAFRM
O=S(=O)([N-]c1ccncc1Nc1cccc(F)c1)C(F)(F)F	ZINC000103267298	219279243	/nfs/dbraw/zinc/27/92/43/219279243.db2.gz	RXKPYCRZRFXIIR-UHFFFAOYSA-N	-1	0	335.282	3.226	1	0		EGAFRM
O=C([O-])c1cnn(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1	ZINC000066128583	215015225	/nfs/dbraw/zinc/01/52/25/215015225.db2.gz	UIQBWHCJBOIWNK-UHFFFAOYSA-N	-1	0	330.653	3.119	1	0		EGAFRM
Nc1nc(-c2cc(Cl)cc(Cl)c2)c(Br)c(=O)[n-]1	ZINC000003653777	210072526	/nfs/dbraw/zinc/07/25/26/210072526.db2.gz	HEMJWPBKELNDCK-UHFFFAOYSA-N	-1	0	334.988	3.088	1	0		EGAFRM
O=C([O-])[C@H]1[C@@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccccc1	ZINC000103255413	219276340	/nfs/dbraw/zinc/27/63/40/219276340.db2.gz	SFTGLDWKERDMBL-DNVCBOLYSA-N	-1	0	348.402	3.326	1	0		EGAFRM
Cc1cccc2c3c(n(CC(=O)[O-])c21)CCN(C(=O)c1ccccc1)C3	ZINC000035813628	213050806	/nfs/dbraw/zinc/05/08/06/213050806.db2.gz	LWSSNAISVQXGSU-UHFFFAOYSA-N	-1	0	348.402	3.233	1	0		EGAFRM
CCC[C@@H](CC1(C(=O)Nc2nnc(CC)s2)CCCC1)C(=O)[O-]	ZINC000033997517	212973388	/nfs/dbraw/zinc/97/33/88/212973388.db2.gz	FWXXCSISWQQOGS-NSHDSACASA-N	-1	0	339.461	3.490	1	0		EGAFRM
COc1ccc(Cl)cc1[C@H](C)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000027560493	212565308	/nfs/dbraw/zinc/56/53/08/212565308.db2.gz	JIEZQGOOOHBLCB-NSHDSACASA-N	-1	0	347.798	3.467	1	0		EGAFRM
Cc1ccc(SCc2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)cc1	ZINC000004487051	210199875	/nfs/dbraw/zinc/19/98/75/210199875.db2.gz	SQSRXSRBADPMIH-UHFFFAOYSA-N	-1	0	326.425	3.173	1	0		EGAFRM
CN(C(=O)c1c([O-])c2ccc(Cl)cc2n(C)c1=O)c1ccccc1	ZINC000101238216	219119811	/nfs/dbraw/zinc/11/98/11/219119811.db2.gz	XZVDCIBFQIDMFN-UHFFFAOYSA-N	-1	0	342.782	3.174	1	0		EGAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[C@H]1O	ZINC000103204434	219269674	/nfs/dbraw/zinc/26/96/74/219269674.db2.gz	GPFVUFJGYPBCHF-GHMZBOCLSA-N	-1	0	343.754	3.014	1	0		EGAFRM
O=C1[N-]C(=O)N(CCc2ccccc2)/C1=C/c1cccc(Cl)c1	ZINC000040566959	213352685	/nfs/dbraw/zinc/35/26/85/213352685.db2.gz	OGJWKUITOHLAGK-FOWTUZBSSA-N	-1	0	326.783	3.475	1	0		EGAFRM
O=C([O-])[C@@H]1SCC=C1NC(=O)c1cccc(Oc2ccccc2)c1	ZINC000040425152	213302495	/nfs/dbraw/zinc/30/24/95/213302495.db2.gz	APUOKNSCHNALIW-MRXNPFEDSA-N	-1	0	341.388	3.293	1	0		EGAFRM
CN(Cc1ccccc1)C(=O)c1c([O-])c2ccc(Cl)cc2[nH]c1=O	ZINC000013833636	211648394	/nfs/dbraw/zinc/64/83/94/211648394.db2.gz	VMNLNCMDUOKWRH-UHFFFAOYSA-N	-1	0	342.782	3.159	1	0		EGAFRM
CC(C)c1csc(/C=C/c2ccn3c(c2)ncc(C(=O)[O-])c3=O)n1	ZINC000027421318	202154687	/nfs/dbraw/zinc/15/46/87/202154687.db2.gz	VFXAKYGZRSXDFL-ONEGZZNKSA-N	-1	0	341.392	3.143	1	0		EGAFRM
CC(=O)c1c(O)c(C=O)c([O-])c2c1O[C@]1(C)C[C@@H]3[C@H](C[C@@H]1C2)C3(C)C	ZINC000035876261	202310989	/nfs/dbraw/zinc/31/09/89/202310989.db2.gz	MIJJQFNGWUWNOD-BREZWQAASA-N	-1	0	344.407	3.489	1	0		EGAFRM
Cc1ccccc1Nc1cnccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000049037579	202614988	/nfs/dbraw/zinc/61/49/88/202614988.db2.gz	PJYHHWIDLOBSMG-UHFFFAOYSA-N	-1	0	331.319	3.395	1	0		EGAFRM
CSc1ccc2c(c1)c([O-])c(C(=O)Nc1ccccc1)c(=O)n2C	ZINC000101491759	204008195	/nfs/dbraw/zinc/00/81/95/204008195.db2.gz	WMISKXZAOVQZJI-UHFFFAOYSA-N	-1	0	340.404	3.218	1	0		EGAFRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C[C@@H]1c1ccccc1	ZINC000026386490	202142516	/nfs/dbraw/zinc/14/25/16/202142516.db2.gz	DRPGADQFIJJWNZ-LMMKCTJWSA-N	-1	0	348.402	3.084	1	0	in-vivo	EGAFRM
O=S(=O)(c1nc2ccc(Cl)cc2[n-]1)C(F)(F)C(F)(F)F	ZINC000027850664	202160789	/nfs/dbraw/zinc/16/07/89/202160789.db2.gz	KNMNLLZJMJBSEE-UHFFFAOYSA-N	-1	0	334.653	3.145	1	0		EGAFRM
CCOc1ccc(C(=O)c2c(SC)cc(CC(=O)[O-])n2C)cc1	ZINC000028225608	202166757	/nfs/dbraw/zinc/16/67/57/202166757.db2.gz	WSRAPNVYSJLQAS-UHFFFAOYSA-N	-1	0	333.409	3.004	1	0		EGAFRM
O=C([O-])c1ccccc1S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000002032888	201524125	/nfs/dbraw/zinc/52/41/25/201524125.db2.gz	MQADOUMJDICQDA-UHFFFAOYSA-N	-1	0	330.283	3.236	1	0		EGAFRM
O=C([O-])c1csc(-n2nc(N3CCCCC3)c3ccccc32)n1	ZINC000103254833	204070431	/nfs/dbraw/zinc/07/04/31/204070431.db2.gz	GKIPMRQCDYDJBV-UHFFFAOYSA-N	-1	0	328.397	3.171	1	0		EGAFRM
O=C([O-])C1=C(C=Cc2ccccc2)NC(=S)N[C@@H]1c1ccccc1	ZINC000103172261	204064294	/nfs/dbraw/zinc/06/42/94/204064294.db2.gz	ADBWOGLJNCVNGH-FMQWLBJXSA-N	-1	0	336.416	3.258	1	0		EGAFRM
O=C([O-])c1ccc([S@](=O)Cc2ccc(Cl)cc2Cl)cn1	ZINC000169337725	206552007	/nfs/dbraw/zinc/55/20/07/206552007.db2.gz	DDOPBGLOZXERDG-HXUWFJFHSA-N	-1	0	330.192	3.394	1	0		EGAFRM
CCCCC/C=C/C[C@@H](O)[C@H](O)C(=O)CCCCCCC(=O)[O-]	ZINC000013338862	574413151	/nfs/dbraw/zinc/41/31/51/574413151.db2.gz	NIOKCFABUMZUDL-RMYLNHOSSA-N	-1	0	328.449	3.229	1	0	endogenous,in-man	EGAFRM
O=C([O-])C1(c2ccc3c(c2)OC[C@H](Cc2ccccc2)[C@H]3O)CCC1	ZINC000026394686	202142500	/nfs/dbraw/zinc/14/25/00/202142500.db2.gz	PTOVKIVOWKCRFC-HNAYVOBHSA-N	-1	0	338.403	3.478	1	0		EGAFRM
CC(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000028644266	202174278	/nfs/dbraw/zinc/17/42/78/202174278.db2.gz	LNZRTMKBPDXOLY-UHFFFAOYSA-N	-1	0	346.770	3.291	1	0		EGAFRM
CSCc1oc2cc([O-])cc(O)c2c(=O)c1-c1ccc(O)cc1	ZINC000034601856	202273696	/nfs/dbraw/zinc/27/36/96/202273696.db2.gz	WZQHIBULESSBTK-UHFFFAOYSA-N	-1	0	330.361	3.440	1	0		EGAFRM
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H](C(C)=O)[C@H](C(=O)[O-])[C@H]3CC[C@]12C	ZINC000005712609	201661064	/nfs/dbraw/zinc/66/10/64/201661064.db2.gz	UZLYHSDCDKJVNO-HKJNTEPFSA-N	-1	0	336.428	3.060	1	0		EGAFRM
O=C([O-])Cn1c2ccccc2c2c1CC[C@H](C(=O)Nc1ccccc1)C2	ZINC000096271109	203887624	/nfs/dbraw/zinc/88/76/24/203887624.db2.gz	HUXWTTSNVWINFN-AWEZNQCLSA-N	-1	0	348.402	3.470	1	0		EGAFRM
C[C@@]1(C(=O)[O-])CCC[C@]2(C)C3=CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12	ZINC000015061062	574413732	/nfs/dbraw/zinc/41/37/32/574413732.db2.gz	QSJIZGQGHYROGD-AJMJYDTNSA-N	-1	0	334.456	3.127	1	0	endogenous,in-man	EGAFRM
C[C@H](OCc1ccc(Cl)cc1)[C@H](NC(=O)CC(C)(C)C)C(=O)[O-]	ZINC000013583952	201900981	/nfs/dbraw/zinc/90/09/81/201900981.db2.gz	QXEIQLGYXXHQSW-NHYWBVRUSA-N	-1	0	341.835	3.251	1	0		EGAFRM
C[C@H]1C[C@@H](O)[C@]2(C)C(C(=O)[O-])=CCC[C@H]2[C@]1(C)CCC1=CCOC1=O	ZINC000034433942	290995757	/nfs/dbraw/zinc/99/57/57/290995757.db2.gz	VIZZFMPBFLWOFS-JUNANHINSA-N	-1	0	348.439	3.084	1	0	biogenic,in-vitro	EGAFRM
O=C([O-])[C@@H]1Cc2cc(C(=O)c3ccco3)c(Cl)c(Cl)c2O1	ZINC000027996493	202164143	/nfs/dbraw/zinc/16/41/43/202164143.db2.gz	JBHIEASFWCQFEL-VIFPVBQESA-N	-1	0	327.119	3.206	1	0		EGAFRM
CC(C)SC1=Nc2cc(Br)ccc2S(=O)(=O)[N-]1	ZINC000071297032	203090906	/nfs/dbraw/zinc/09/09/06/203090906.db2.gz	XNNDKDYPAXPQMC-UHFFFAOYSA-N	-1	0	335.248	3.061	1	0		EGAFRM
CC(C)/C=C/c1c(O)cc(/C=C/C2=CC(=O)O[C@@H]2CC(=O)[O-])cc1O	ZINC000103214709	204067038	/nfs/dbraw/zinc/06/70/38/204067038.db2.gz	CFGAXJGTRRBMTC-LZOFVBHYSA-N	-1	0	344.363	3.107	1	0		EGAFRM
CCCCC[C@H](O)CC[C@H](O)[C@H](O)CCCCCCCC(=O)[O-]	ZINC000037538396	574414381	/nfs/dbraw/zinc/41/43/81/574414381.db2.gz	CDWBHGXGXFTKRD-BBWFWOEESA-N	-1	0	332.481	3.245	1	0	endogenous,in-man	EGAFRM
COc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C(=O)[O-])cc3)c1C2	ZINC000028954284	202179530	/nfs/dbraw/zinc/17/95/30/202179530.db2.gz	BFQHFSRDZYWKHR-UHFFFAOYSA-N	-1	0	336.347	3.363	1	0		EGAFRM
Cc1ccc(C2=NC(=S)N[C@H](c3ccco3)C2CC(=O)[O-])cc1	ZINC000029465367	202186636	/nfs/dbraw/zinc/18/66/36/202186636.db2.gz	YKTSIESNTGFKSN-INIZCTEOSA-N	-1	0	328.393	3.404	1	0		EGAFRM
O=C([O-])C1=Cc2cc(OC(F)(F)F)ccc2O[C@H]1C(F)(F)F	ZINC000034007318	202271317	/nfs/dbraw/zinc/27/13/17/202271317.db2.gz	CSOISVJKLBMNCK-SECBINFHSA-N	-1	0	328.164	3.377	1	0		EGAFRM
O=S(=O)([N-]c1ccncc1Sc1ccccc1)C(F)(F)F	ZINC000013586690	201366242	/nfs/dbraw/zinc/36/62/42/201366242.db2.gz	ALOKHRRVYXMQQV-UHFFFAOYSA-N	-1	0	334.344	3.494	1	0		EGAFRM
C[C@H]1CCC[C@@H]1n1c([O-])cc(=O)n(CCc2cccc(Cl)c2)c1=O	ZINC000101678222	204018028	/nfs/dbraw/zinc/01/80/28/204018028.db2.gz	JGCNZILWZBJOMI-WFASDCNBSA-N	-1	0	348.830	3.252	1	0		EGAFRM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](C(Cl)(Cl)Cl)N1	ZINC000103170769	204064812	/nfs/dbraw/zinc/06/48/12/204064812.db2.gz	RLLMGLXVDLFPKW-KOLCDFICSA-N	-1	0	333.602	3.178	1	0		EGAFRM
C/C(=C\C=C\[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@]2(O)CCC(C)=CC3)C(=O)[O-]	ZINC000085637039	560067439	/nfs/dbraw/zinc/06/74/39/560067439.db2.gz	MQOMHFMKUJFDBH-ILCPHEGTSA-N	-1	0	346.423	3.147	1	0	biogenic,in-vitro	EGAFRM
O=C([O-])CCn1cc(Cn2ccnc2)c2ccc(C(F)(F)F)cc21	ZINC000027093917	202151033	/nfs/dbraw/zinc/15/10/33/202151033.db2.gz	FCRJDZGYFRUGDG-UHFFFAOYSA-N	-1	0	337.301	3.380	1	0		EGAFRM
COc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)[O-])cc1	ZINC000028224885	202166382	/nfs/dbraw/zinc/16/63/82/202166382.db2.gz	UTHOEZQFQZSETM-GFCCVEGCSA-N	-1	0	331.393	3.022	1	0		EGAFRM
O=C1c2ccccc2C(=O)N1CCCOC(=S)[N-]c1ccccc1	ZINC000028520473	202171994	/nfs/dbraw/zinc/17/19/94/202171994.db2.gz	AIFKBBNETFLPKO-UHFFFAOYSA-N	-1	0	340.404	3.086	1	0		EGAFRM
CCCc1ccc(-c2cc(Cl)cc(C(=O)Nc3nnn[n-]3)n2)cc1	ZINC000029316631	202184456	/nfs/dbraw/zinc/18/44/56/202184456.db2.gz	MJFQUANLSLPZCN-UHFFFAOYSA-N	-1	0	342.790	3.120	1	0		EGAFRM
COc1ccc2ncc(Oc3ccc(O[C@H](C)C(=O)[O-])cc3)nc2c1	ZINC000029464150	202187101	/nfs/dbraw/zinc/18/71/01/202187101.db2.gz	WPZYLMYSXFSEQX-LLVKDONJSA-N	-1	0	340.335	3.283	1	0		EGAFRM
CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C	ZINC000014410967	201056444	/nfs/dbraw/zinc/05/64/44/201056444.db2.gz	ALGYTGOYQATWBA-SMOSDQRPSA-N	-1	0	332.440	3.500	1	0		EGAFRM
COc1cccc(C(=O)c2ncc(C(=O)[O-])c3cc(OC)ccc32)c1	ZINC000073141419	203258022	/nfs/dbraw/zinc/25/80/22/203258022.db2.gz	SJLGQDOGOFTOPY-UHFFFAOYSA-N	-1	0	337.331	3.181	1	0		EGAFRM
Cc1cc(C(=O)[O-])nn1Cc1cc(Cl)cn2cc(C(C)C)nc12	ZINC000073195826	203259961	/nfs/dbraw/zinc/25/99/61/203259961.db2.gz	FAYBEERSGKWHSO-UHFFFAOYSA-N	-1	0	332.791	3.363	1	0		EGAFRM
CCOC(=O)c1cnn(-c2ccc(C(=O)[O-])cc2)c1-c1ccccc1	ZINC000075896606	203327440	/nfs/dbraw/zinc/32/74/40/203327440.db2.gz	VSUXTDNGDYLBHX-UHFFFAOYSA-N	-1	0	336.347	3.414	1	0		EGAFRM
O=C([O-])C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccccc1	ZINC000103269203	204069812	/nfs/dbraw/zinc/06/98/12/204069812.db2.gz	ZDNJTXRSESMXRB-SFHVURJKSA-N	-1	0	348.402	3.311	1	0		EGAFRM
COc1ccc(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)cc1	ZINC000070725547	1292257787	/nfs/dbraw/zinc/25/77/87/1292257787.db2.gz	VDJTYIOMKWWCCH-UHFFFAOYSA-N	-1	0	329.377	3.355	1	0		EGAFRM
O=C([O-])Cc1ccc(CSc2nnc(-c3ccncc3)o2)cc1	ZINC000013442460	201894925	/nfs/dbraw/zinc/89/49/25/201894925.db2.gz	PKOWPPDOTGNHAD-UHFFFAOYSA-N	-1	0	327.365	3.051	1	0		EGAFRM
CC(=O)Sc1c(C)cccc1C(=O)N(CC(=O)[O-])C1CCCC1	ZINC000026983404	202151881	/nfs/dbraw/zinc/15/18/81/202151881.db2.gz	SGVJNRCFDZISGX-UHFFFAOYSA-N	-1	0	335.425	3.103	1	0		EGAFRM
Cc1ccc([C@@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)cc1	ZINC000027987808	202162820	/nfs/dbraw/zinc/16/28/20/202162820.db2.gz	NXXRYHVSMNEBFO-INIZCTEOSA-N	-1	0	334.297	3.097	1	0		EGAFRM
Cc1ccc(Sc2cc3c(cc2[N-]S(C)(=O)=O)CCC3=O)nc1	ZINC000029321707	202184429	/nfs/dbraw/zinc/18/44/29/202184429.db2.gz	JOOQXUJRKXIPED-UHFFFAOYSA-N	-1	0	348.449	3.042	1	0		EGAFRM
O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)c1ccccc1	ZINC000029398101	202186340	/nfs/dbraw/zinc/18/63/40/202186340.db2.gz	WVEYJUOMQWAHNN-SLKVGHROSA-N	-1	0	345.439	3.302	1	0		EGAFRM
C[C@@H]1CC[C@@H](n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678251	204017530	/nfs/dbraw/zinc/01/75/30/204017530.db2.gz	PROGJMDSZVGORE-IUODEOHRSA-N	-1	0	348.830	3.252	1	0		EGAFRM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12	ZINC000006491266	560205845	/nfs/dbraw/zinc/20/58/45/560205845.db2.gz	MRBLTWPEPGRXQN-GSAXKUOUSA-N	-1	0	336.472	3.207	1	0	biogenic,in-vitro	EGAFRM
CCCCC[C@@H](O)CC[C@@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000014815699	571724255	/nfs/dbraw/zinc/72/42/55/571724255.db2.gz	CDWBHGXGXFTKRD-IXDOHACOSA-N	-1	0	332.481	3.245	1	0	endogenous,in-man	EGAFRM
O=C([O-])[C@H]1Cc2cc3c(-c4ccc(O)cc4)noc3c(Cl)c2O1	ZINC000025976967	202137404	/nfs/dbraw/zinc/13/74/04/202137404.db2.gz	VYMIBEJRWZMAFM-LLVKDONJSA-N	-1	0	331.711	3.242	1	0		EGAFRM
CO[P@](=O)([O-])[C@H](C)OC(=O)COc1ccc(Cl)cc1Cl	ZINC000034506923	202273626	/nfs/dbraw/zinc/27/36/26/202273626.db2.gz	OOYYLOYZRMIFDL-SSDOTTSWSA-N	-1	0	343.099	3.093	1	0		EGAFRM
O=C([O-])CN(C(=O)c1ccccc1O)c1cc(Cl)cc(Cl)c1	ZINC000040873503	202466818	/nfs/dbraw/zinc/46/68/18/202466818.db2.gz	DACIPZZDIBGJCJ-UHFFFAOYSA-N	-1	0	340.162	3.430	1	0		EGAFRM
C[C@]12C[C@@]3(CC1=O)[C@@H](O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3CC2	ZINC000040916391	202467608	/nfs/dbraw/zinc/46/76/08/202467608.db2.gz	RARHTOIMTZCWKS-SWTLLTDLSA-N	-1	0	334.456	3.414	1	0		EGAFRM
O=C([O-])[C@@H]1[C@@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccccc1	ZINC000103255418	204070161	/nfs/dbraw/zinc/07/01/61/204070161.db2.gz	SFTGLDWKERDMBL-BEFAXECRSA-N	-1	0	348.402	3.326	1	0		EGAFRM
O=C([O-])C1=C(C=Cc2ccccc2)NC(=S)N[C@H]1c1ccccc1	ZINC000103172259	204064597	/nfs/dbraw/zinc/06/45/97/204064597.db2.gz	ADBWOGLJNCVNGH-FLVLSHQESA-N	-1	0	336.416	3.258	1	0		EGAFRM
CC(C)=CCc1cc(/C=C/C(=O)[O-])c(O)c(C/C=C(/C)CO)c1O	ZINC000095910663	560058496	/nfs/dbraw/zinc/05/84/96/560058496.db2.gz	LJEOUEJSKJJZGU-DPSNKPBKSA-N	-1	0	332.396	3.185	1	0	biogenic,in-vitro	EGAFRM
COc1ccc(-c2coc3c(ccc([O-])c3OC)c2=O)cc1OC	ZINC000014759218	560225711	/nfs/dbraw/zinc/22/57/11/560225711.db2.gz	VYUBGGKHELMRLL-UHFFFAOYSA-N	-1	0	328.320	3.191	1	0	biogenic,in-vitro	EGAFRM
CCCCC[C@H](O)CC[C@@H](O)[C@H](O)CCCCCCCC(=O)[O-]	ZINC000037538400	574414385	/nfs/dbraw/zinc/41/43/85/574414385.db2.gz	CDWBHGXGXFTKRD-GVDBMIGSSA-N	-1	0	332.481	3.245	1	0	endogenous,in-man	EGAFRM
C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](O)[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]13C	ZINC000025989181	212504503	/nfs/dbraw/zinc/50/45/03/212504503.db2.gz	HVOHPIPWCZCMDA-AJJMCHFPSA-N	-1	0	334.456	3.414	1	0		EGAFRM
O=S(=O)([N-]c1cc(F)cc2cccnc21)c1c(F)cccc1F	ZINC000205636524	1296092320	/nfs/dbraw/zinc/09/23/20/1296092320.db2.gz	JMJLILMOKWRPKN-UHFFFAOYSA-N	-1	0	338.310	3.453	1	0		EGAFRM
O=C([O-])[C@@H]1C=CS[C@H]1NC(=O)c1cccc(Oc2ccccc2)c1	ZINC000040424215	213303101	/nfs/dbraw/zinc/30/31/01/213303101.db2.gz	SKXPJOOQFLIYNP-NVXWUHKLSA-N	-1	0	341.388	3.496	1	0		EGAFRM
O=C([O-])[C@H]1SCC=C1NC(=O)c1cccc(Oc2ccccc2)c1	ZINC000040425151	213302316	/nfs/dbraw/zinc/30/23/16/213302316.db2.gz	APUOKNSCHNALIW-INIZCTEOSA-N	-1	0	341.388	3.293	1	0		EGAFRM
C[C@@]12O[C@@H]1[C@]13C[C@H]2CC[C@H]1[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1C[C@H]3O	ZINC000038356514	213207391	/nfs/dbraw/zinc/20/73/91/213207391.db2.gz	JRTJMHJAKRSTRL-CLILRYDISA-N	-1	0	334.456	3.222	1	0		EGAFRM
Cc1cccc(-c2nnc(SCC(=O)[O-])n2Cc2ccccc2)c1	ZINC000004167405	210138342	/nfs/dbraw/zinc/13/83/42/210138342.db2.gz	DHCRUAWGPHUBJA-UHFFFAOYSA-N	-1	0	339.420	3.479	3	0		EGAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[C@H]1O	ZINC000103204436	219269289	/nfs/dbraw/zinc/26/92/89/219269289.db2.gz	GPFVUFJGYPBCHF-MNOVXSKESA-N	-1	0	343.754	3.014	1	0		EGAFRM
CC1CCN(c2nn(-c3nc(C(=O)[O-])cs3)c3ccccc32)CC1	ZINC000103254836	219276146	/nfs/dbraw/zinc/27/61/46/219276146.db2.gz	MAQPBLCYWGZBQD-UHFFFAOYSA-N	-1	0	342.424	3.417	1	0		EGAFRM
O=C([O-])c1cc(-c2ccccc2)nc2cc(Nn3cnnc3)ccc21	ZINC000103290933	219285643	/nfs/dbraw/zinc/28/56/43/219285643.db2.gz	GYZMVGJCRGUXBS-UHFFFAOYSA-N	-1	0	331.335	3.067	1	0		EGAFRM
O=C([O-])c1cc(NC(=O)Nc2nc3ccc(F)cc3s2)ccc1O	ZINC000040568076	213352006	/nfs/dbraw/zinc/35/20/06/213352006.db2.gz	QEUBZNOVHCLBGL-UHFFFAOYSA-N	-1	0	347.327	3.483	1	0		EGAFRM
Cc1cc(Cc2c(C)cc(OC[P@@](=O)([O-])O)cc2C)ccc1O	ZINC000040422758	213301296	/nfs/dbraw/zinc/30/12/96/213301296.db2.gz	OYZZBRHSILKBDZ-UHFFFAOYSA-N	-1	0	336.324	3.422	1	0		EGAFRM
C/C(=C\CO)[C@H]1C(C)=C[C@H]2[C@H](O)CC[C@@H](C)[C@@H]2[C@H]1/C=C/C=C/C(=O)[O-]	ZINC000035034288	213005046	/nfs/dbraw/zinc/00/50/46/213005046.db2.gz	YGIXVFNOSSPFLR-RYAGCBDWSA-N	-1	0	346.467	3.338	1	0		EGAFRM
CCOC1C2=NC(Cc3ccc(F)cc3)=NC2=C([O-])c2ccccc21	ZINC000073374632	216381864	/nfs/dbraw/zinc/38/18/64/216381864.db2.gz	IRRZZIBFWBREMM-KRWDZBQOSA-N	-1	0	336.366	3.340	1	0		EGAFRM
CCCCCC[C@H](O)C/C=C/[C@@H](O)CC[C@@H](O)CCCC(=O)[O-]	ZINC000014815716	571724825	/nfs/dbraw/zinc/72/48/25/571724825.db2.gz	LGADJSRSYLFTSG-CQHHLICSSA-N	-1	0	330.465	3.021	1	0	endogenous,in-man	EGAFRM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C(Cl)(Cl)Cl)N1	ZINC000103170765	219265700	/nfs/dbraw/zinc/26/57/00/219265700.db2.gz	RLLMGLXVDLFPKW-ONGXEEELSA-N	-1	0	333.602	3.178	1	0		EGAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[C@@H]1O	ZINC000103204431	219268972	/nfs/dbraw/zinc/26/89/72/219268972.db2.gz	GPFVUFJGYPBCHF-QWRGUYRKSA-N	-1	0	343.754	3.014	1	0		EGAFRM
O=C([O-])CCCCOc1ccc2cc(Br)c(=O)oc2c1	ZINC000169303212	226239538	/nfs/dbraw/zinc/23/95/38/226239538.db2.gz	XWNNALRZHONRGI-UHFFFAOYSA-N	-1	0	341.157	3.189	1	0		EGAFRM
CCOC1C2=NC(Cc3ccc(F)cc3)=NC2=C([O-])c2ccccc21	ZINC000001630237	209771485	/nfs/dbraw/zinc/77/14/85/209771485.db2.gz	IRRZZIBFWBREMM-QGZVFWFLSA-N	-1	0	336.366	3.340	1	0		EGAFRM
C[C@]12C[C@@]3(C[C@H]1O)[C@H](O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3CC2	ZINC000095591109	218442875	/nfs/dbraw/zinc/44/28/75/218442875.db2.gz	UAPGBBZPBLMFNI-NYIALSATSA-N	-1	0	336.472	3.206	1	0		EGAFRM
CCOc1ccccc1-c1nc2c(nnn2C2CCCC2)c(=O)[n-]1	ZINC000028349935	581098220	/nfs/dbraw/zinc/09/82/20/581098220.db2.gz	DDKCZVDGSHWYON-UHFFFAOYSA-N	-1	0	325.372	3.108	1	0		EGAFRM
CN(C(=O)c1c([O-])c2c(Cl)cccc2n(C)c1=O)c1ccccc1	ZINC000100817496	219107711	/nfs/dbraw/zinc/10/77/11/219107711.db2.gz	JCRFYOCGNOHLIJ-UHFFFAOYSA-N	-1	0	342.782	3.174	1	0		EGAFRM
Cn1cc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)c2ccccc21	ZINC000004057243	210109267	/nfs/dbraw/zinc/10/92/67/210109267.db2.gz	SJIYYDALBFKPSZ-QZTJIDSGSA-N	-1	0	334.375	3.173	3	0		EGAFRM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](C(Cl)(Cl)Cl)N1	ZINC000103170767	219266011	/nfs/dbraw/zinc/26/60/11/219266011.db2.gz	RLLMGLXVDLFPKW-MWLCHTKSSA-N	-1	0	333.602	3.178	1	0		EGAFRM
CCCCC[C@H](O)/C=C/[C@H]1OC[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000028380391	212617187	/nfs/dbraw/zinc/61/71/87/212617187.db2.gz	TWSDSASWLWRVDC-UHHGALCXSA-N	-1	0	340.460	3.061	1	0		EGAFRM
CCc1ccc(CCOc2ccc3cc(C(=O)[O-])c(=O)oc3c2)nc1	ZINC000027084319	212545149	/nfs/dbraw/zinc/54/51/49/212545149.db2.gz	IZBMJZSIJXNTKE-UHFFFAOYSA-N	-1	0	339.347	3.070	1	0		EGAFRM
Cc1ccc(NC(=O)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)cc1	ZINC000013649337	211598168	/nfs/dbraw/zinc/59/81/68/211598168.db2.gz	YBMSCENHZGSEQS-UHFFFAOYSA-N	-1	0	327.380	3.418	1	0		EGAFRM
COc1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(CCC(=O)[O-])c1C	ZINC000003834047	210078299	/nfs/dbraw/zinc/07/82/99/210078299.db2.gz	IYOHDJYJJGGYFL-DHDCSXOGSA-N	-1	0	340.379	3.150	1	0		EGAFRM
COc1ccc2[n-]cc3c(=O)n(-c4nc5ccccc5s4)nc-3c2c1	ZINC000102842821	219234517	/nfs/dbraw/zinc/23/45/17/219234517.db2.gz	XCLCBBYRPDZKFC-UHFFFAOYSA-N	-1	0	348.387	3.437	1	0		EGAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[C@@H]1O	ZINC000103204427	219269318	/nfs/dbraw/zinc/26/93/18/219269318.db2.gz	GPFVUFJGYPBCHF-WDEREUQCSA-N	-1	0	343.754	3.014	1	0		EGAFRM
C/C(=C\Cc1cc(C(=O)[O-])ccc1O)CC/C=C(\C)[C@H](O)C(C)(C)O	ZINC000095912667	560057032	/nfs/dbraw/zinc/05/70/32/560057032.db2.gz	UTBJRCAISYULAO-YTZVMLPWSA-N	-1	0	348.439	3.438	1	0	biogenic,in-vitro	EGAFRM
Cc1ccc(-c2cc3c(ncnc3NC[P@@](=O)([O-])O)s2)cc1	ZINC000098209645	219087442	/nfs/dbraw/zinc/08/74/42/219087442.db2.gz	XFTKJMGEXNVSAO-UHFFFAOYSA-N	-1	0	335.325	3.214	1	0	in-vitro	EGAFRM
COC[C@@]1(CC(=O)[O-])OCCc2c1[nH]c1c2c(Cl)ccc1Cl	ZINC000049111140	213987397	/nfs/dbraw/zinc/98/73/97/213987397.db2.gz	QFKXNDVXWOWRLE-OAHLLOKOSA-N	-1	0	344.194	3.364	1	0		EGAFRM
O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3ccccn3)C2=O)cc1	ZINC000103223057	219271450	/nfs/dbraw/zinc/27/14/50/219271450.db2.gz	CWHQCUACMHVKMH-ZROIWOOFSA-N	-1	0	340.360	3.016	1	0		EGAFRM
O=C([O-])[C@H]1C=CS[C@@H]1NC(=O)c1cccc(Oc2ccccc2)c1	ZINC000040424216	213302949	/nfs/dbraw/zinc/30/29/49/213302949.db2.gz	SKXPJOOQFLIYNP-RDJZCZTQSA-N	-1	0	341.388	3.496	1	0		EGAFRM
CCCCCC[C@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCC(=O)[O-]	ZINC000033834007	290989548	/nfs/dbraw/zinc/98/95/48/290989548.db2.gz	YFCZLXRIKFCQFU-ACWVRRSXSA-N	-1	0	330.465	3.021	1	0	biogenic,in-vitro	EGAFRM
O=C([O-])Cn1c2ccccc2c2c1CCN(C(=O)C1CCCCC1)C2	ZINC000035789796	213049630	/nfs/dbraw/zinc/04/96/30/213049630.db2.gz	MWALGAXFBJFLOX-UHFFFAOYSA-N	-1	0	340.423	3.191	1	0		EGAFRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)OC2=S)cc1	ZINC000028387580	212618252	/nfs/dbraw/zinc/61/82/52/212618252.db2.gz	POGCGYWYFNFPKG-ZROIWOOFSA-N	-1	0	343.335	3.213	1	0		EGAFRM
Cc1cnoc1[N-]S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000013741071	211628456	/nfs/dbraw/zinc/62/84/56/211628456.db2.gz	HKRNQROOSNFGFI-UHFFFAOYSA-N	-1	0	331.397	3.003	1	0		EGAFRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1	ZINC000169294068	226237650	/nfs/dbraw/zinc/23/76/50/226237650.db2.gz	HUOBRTXKQLCFIZ-ZSYWTGECSA-N	-1	0	347.414	3.415	1	0		EGAFRM
CCOC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1csc(C)n1	ZINC000004198723	210144174	/nfs/dbraw/zinc/14/41/74/210144174.db2.gz	QEOGMPXGKIOBGG-UHFFFAOYSA-N	-1	0	331.349	3.107	3	0		EGAFRM
C[C@H]1CCC[C@H]1n1c(=O)cc([O-])n(CCc2ccc(Cl)cc2)c1=O	ZINC000101678317	219154797	/nfs/dbraw/zinc/15/47/97/219154797.db2.gz	ZBMFHOJQGNDBJA-SWLSCSKDSA-N	-1	0	348.830	3.252	1	0		EGAFRM
CC(C)c1ccc(CCn2c([O-])cc(=O)n(C3CCCC3)c2=O)cc1	ZINC000101678052	219155179	/nfs/dbraw/zinc/15/51/79/219155179.db2.gz	BYJJEOBZDXNGCB-UHFFFAOYSA-N	-1	0	342.439	3.476	1	0		EGAFRM
COc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)[O-])n1	ZINC000103233796	219273407	/nfs/dbraw/zinc/27/34/07/219273407.db2.gz	CVAINIUYHKSLAC-UHFFFAOYSA-N	-1	0	340.257	3.060	1	0		EGAFRM
O=C([O-])CCc1ccc(CCNC(=O)c2cccc(Cl)c2)cc1	ZINC000103299062	219286375	/nfs/dbraw/zinc/28/63/75/219286375.db2.gz	BHRANNZYHXRLQD-UHFFFAOYSA-N	-1	0	331.799	3.330	1	0		EGAFRM
O=C([O-])[C@@H]1CSc2c(C3CC3)c(COc3ccccc3)cc(=O)n21	ZINC000071317725	215759015	/nfs/dbraw/zinc/75/90/15/215759015.db2.gz	FMBFZBMUXMPLTQ-AWEZNQCLSA-N	-1	0	343.404	3.036	1	0		EGAFRM
CC(=O)c1cc(C)c(C)cc1NCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000028642832	212628808	/nfs/dbraw/zinc/62/88/08/212628808.db2.gz	CUOHJDDVGRWKPN-UHFFFAOYSA-N	-1	0	340.379	3.255	1	0		EGAFRM
C[C@H](Sc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)C(=O)[O-]	ZINC000004945251	210335318	/nfs/dbraw/zinc/33/53/18/210335318.db2.gz	VBAZGFWELKLPEZ-JTQLQIEISA-N	-1	0	326.377	3.359	3	0		EGAFRM
CCO[C@@H](Cc1ccc(CC[C@@H](O)c2ccccc2)cc1)C(=O)[O-]	ZINC000028822026	581098298	/nfs/dbraw/zinc/09/82/98/581098298.db2.gz	HFOVQASTMIIFQS-MOPGFXCFSA-N	-1	0	328.408	3.385	1	0		EGAFRM
NC(=O)N1C(=O)C(=C([O-])c2cccs2)c2cc(F)c(Cl)cc21	ZINC000100377826	219097950	/nfs/dbraw/zinc/09/79/50/219097950.db2.gz	BVNJBATUHVXZKP-VAWYXSNFSA-N	-1	0	338.747	3.392	1	0	in-man	EGAFRM
C[C@H]1CC[C@H](n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678250	219155331	/nfs/dbraw/zinc/15/53/31/219155331.db2.gz	PROGJMDSZVGORE-WFASDCNBSA-N	-1	0	348.830	3.252	1	0		EGAFRM
O=C(C(NNc1ccc(F)cc1)=C([O-])c1cccs1)C(F)(F)F	ZINC000103194294	219268508	/nfs/dbraw/zinc/26/85/08/219268508.db2.gz	QSYVSTCXYJZNAI-NSHDSACASA-N	-1	0	346.305	3.187	1	0		EGAFRM
CCOCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)[O-])C1	ZINC000103252351	219275620	/nfs/dbraw/zinc/27/56/20/219275620.db2.gz	DXHFGNCUBPELBX-LBPRGKRZSA-N	-1	0	347.333	3.035	1	0		EGAFRM
C[S@](=O)c1ccc(C(=O)c2cc(CC(=O)[O-])cc3ccoc32)cc1	ZINC000026401247	212518749	/nfs/dbraw/zinc/51/87/49/212518749.db2.gz	NTELMCNNADTPGW-XMMPIXPASA-N	-1	0	342.372	3.028	1	0		EGAFRM
C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](O)[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]13C	ZINC000025989166	212504180	/nfs/dbraw/zinc/50/41/80/212504180.db2.gz	HVOHPIPWCZCMDA-FWBGDKJFSA-N	-1	0	334.456	3.414	1	0		EGAFRM
CC(C)Cc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)ccc1O	ZINC000085569512	560069911	/nfs/dbraw/zinc/06/99/11/560069911.db2.gz	UTRZVUKPAZFYKN-UHFFFAOYSA-N	-1	0	342.347	3.481	1	0	biogenic,in-vitro	EGAFRM
O=C([O-])CN1c2ccccc2CC[C@H](Sc2ccccc2)C1=O	ZINC000053298063	214174871	/nfs/dbraw/zinc/17/48/71/214174871.db2.gz	YHXVWBFNDCUMJQ-INIZCTEOSA-N	-1	0	327.405	3.211	1	0		EGAFRM
CCCCc1c([O-])c2cccnc2n(-c2ccc([C@H](C)O)cc2)c1=O	ZINC000101239038	219119922	/nfs/dbraw/zinc/11/99/22/219119922.db2.gz	XCXMKGJGXQNUOU-ZDUSSCGKSA-N	-1	0	338.407	3.487	1	0		EGAFRM
O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3ccncc3)C2=O)cc1	ZINC000103223067	219271464	/nfs/dbraw/zinc/27/14/64/219271464.db2.gz	OAOUGLYMQTZFAL-ZROIWOOFSA-N	-1	0	340.360	3.016	1	0		EGAFRM
O=C([O-])c1cc(=O)c2c(cc(C(F)(F)F)cc2C(F)(F)F)[nH]1	ZINC000013821211	211645444	/nfs/dbraw/zinc/64/54/44/211645444.db2.gz	NYVHTLNAIJHQFD-UHFFFAOYSA-N	-1	0	325.164	3.264	1	0		EGAFRM
Cc1ccc(S(=O)(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1	ZINC000004949957	210337667	/nfs/dbraw/zinc/33/76/67/210337667.db2.gz	PSWVTUQWBZGYRI-UHFFFAOYSA-N	-1	0	335.331	3.360	1	0		EGAFRM
CCOC(=O)c1[n-]c2ccccc2c1S(=O)(=O)c1ccccc1	ZINC000003654308	210071628	/nfs/dbraw/zinc/07/16/28/210071628.db2.gz	YZXUMFYPHQKYIU-UHFFFAOYSA-N	-1	0	329.377	3.177	1	0		EGAFRM
CC(=O)C(=O)N(c1ccccc1C(=O)[O-])c1cccc2ccc(O)cc21	ZINC000103211266	219270460	/nfs/dbraw/zinc/27/04/60/219270460.db2.gz	YCJUZJJYVQJMPR-UHFFFAOYSA-N	-1	0	349.342	3.497	1	0		EGAFRM
Cc1cccnc1NC(=O)c1ccc(Br)cc1C(=O)[O-]	ZINC000103233786	219273890	/nfs/dbraw/zinc/27/38/90/219273890.db2.gz	GECWRDBPXLCGLO-UHFFFAOYSA-N	-1	0	335.157	3.103	1	0		EGAFRM
O=C([O-])c1ccccc1-c1nc2ccccc2n1C(=O)c1cccnc1	ZINC000040402524	213299140	/nfs/dbraw/zinc/29/91/40/213299140.db2.gz	RZJLKAJORZFJSA-UHFFFAOYSA-N	-1	0	343.342	3.485	1	0		EGAFRM
CCCCC[C@@H](O)CC[C@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000014815701	571724339	/nfs/dbraw/zinc/72/43/39/571724339.db2.gz	CDWBHGXGXFTKRD-IKGGRYGDSA-N	-1	0	332.481	3.245	1	0	endogenous,in-man	EGAFRM
Nc1ccc2c(c1)n(-c1nc(C(=O)[O-])cs1)nc2-c1ccccc1	ZINC000103254799	219277092	/nfs/dbraw/zinc/27/70/92/219277092.db2.gz	IXTHVBLJAVWPGQ-UHFFFAOYSA-N	-1	0	336.376	3.429	1	0		EGAFRM
C[C@H](Oc1ccc(Oc2cnc3ccc(F)cc3n2)cc1)C(=O)[O-]	ZINC000029481761	212669542	/nfs/dbraw/zinc/66/95/42/212669542.db2.gz	JURFDHMTQBFGLL-JTQLQIEISA-N	-1	0	328.299	3.413	1	0		EGAFRM
C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](O)[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]13C	ZINC000025989158	212504132	/nfs/dbraw/zinc/50/41/32/212504132.db2.gz	HVOHPIPWCZCMDA-FEERIVQMSA-N	-1	0	334.456	3.414	1	0		EGAFRM
C[C@H]1CC[C@@H](n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678253	219154584	/nfs/dbraw/zinc/15/45/84/219154584.db2.gz	PROGJMDSZVGORE-SWLSCSKDSA-N	-1	0	348.830	3.252	1	0		EGAFRM
CCC(CC)n1c([O-])cc(=O)n(CCc2cccc(Cl)c2)c1=O	ZINC000101678105	219155277	/nfs/dbraw/zinc/15/52/77/219155277.db2.gz	VOCWMPONAVHRBP-UHFFFAOYSA-N	-1	0	336.819	3.252	1	0		EGAFRM
O=C([O-])CCc1c(/C=C2\C(=O)Nc3ccccc32)[nH]c2c1CCCC2	ZINC000003815538	210076215	/nfs/dbraw/zinc/07/62/15/210076215.db2.gz	NPNOMACTPXEJJY-PTNGSMBKSA-N	-1	0	336.391	3.403	1	0		EGAFRM
O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3ccco3)C2=O)cc1	ZINC000103223072	219271916	/nfs/dbraw/zinc/27/19/16/219271916.db2.gz	UCLOEXVBYLNOPY-JYRVWZFOSA-N	-1	0	329.333	3.214	1	0		EGAFRM
CCc1c(=O)c(OC)c([O-])c2c(O)cc(-c3ccc(O)cc3)oc1-2	ZINC000085633043	290989965	/nfs/dbraw/zinc/98/99/65/290989965.db2.gz	AEICNOFAAHUDAI-UHFFFAOYSA-N	-1	0	328.320	3.148	1	0	biogenic,in-vitro	EGAFRM
O=C([O-])c1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1	ZINC000084741900	217641096	/nfs/dbraw/zinc/64/10/96/217641096.db2.gz	LABVHYDUJPSQSC-UHFFFAOYSA-N	-1	0	331.378	3.217	1	0		EGAFRM
COC(=O)c1cc(=O)c2cc(Cl)cc(C(=O)c3ccccc3)c2[n-]1	ZINC000169314544	533716727	/nfs/dbraw/zinc/71/67/27/533716727.db2.gz	VDVTTXCSMBZRCD-UHFFFAOYSA-N	-1	0	341.750	3.199	1	0		EGAFRM
CCCCC[C@@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000014815735	574413678	/nfs/dbraw/zinc/41/36/78/574413678.db2.gz	MDIUMSLCYIJBQC-XFMWCYPDSA-N	-1	0	330.465	3.021	1	0	endogenous,in-man	EGAFRM
COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccc2Cl)cc1	ZINC000101354886	219123855	/nfs/dbraw/zinc/12/38/55/219123855.db2.gz	BJBQGQSQZMEMPI-UHFFFAOYSA-N	-1	0	331.755	3.129	3	0		EGAFRM
O=C([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](OCC2CC2)C1	ZINC000103251193	219275662	/nfs/dbraw/zinc/27/56/62/219275662.db2.gz	WCOPSKRHLIRJBK-LBPRGKRZSA-N	-1	0	329.318	3.409	1	0		EGAFRM
O=S(=O)([N-]c1ccncc1Nc1ccc(F)cc1)C(F)(F)F	ZINC000103267300	219279192	/nfs/dbraw/zinc/27/91/92/219279192.db2.gz	IJPRCYUBHPNMEA-UHFFFAOYSA-N	-1	0	335.282	3.226	1	0		EGAFRM
O=C(Nc1ccc(F)cc1)c1c([O-])cc(-c2ccccc2)oc1=O	ZINC000103276742	219281553	/nfs/dbraw/zinc/28/15/53/219281553.db2.gz	CAWMSNHCHDMIAB-UHFFFAOYSA-N	-1	0	325.295	3.404	1	0		EGAFRM
O=C([O-])C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccccc1	ZINC000103269207	219280702	/nfs/dbraw/zinc/28/07/02/219280702.db2.gz	ZDNJTXRSESMXRB-GOSISDBHSA-N	-1	0	348.402	3.311	1	0		EGAFRM
Cc1cc(F)ccc1NCc1cc(C(=O)[O-])cc(N2CCCC2)n1	ZINC000040896780	213398549	/nfs/dbraw/zinc/39/85/49/213398549.db2.gz	FTPASMIELNNVJP-UHFFFAOYSA-N	-1	0	329.375	3.440	1	0		EGAFRM
C[C@H](Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1)C(=O)[O-]	ZINC000029481766	212669566	/nfs/dbraw/zinc/66/95/66/212669566.db2.gz	QKSFMXVYJWWIKN-JTQLQIEISA-N	-1	0	328.299	3.413	1	0		EGAFRM
O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl	ZINC000013139591	211528412	/nfs/dbraw/zinc/52/84/12/211528412.db2.gz	NGOFOBLLILMQNY-OBPYKSBLSA-N	-1	0	340.206	3.133	1	0		EGAFRM
C[C@@]12CCC[C@@](CO)(C(=O)[O-])[C@H]1CC[C@@]13C[C@@H](CO)[C@@H](C1)CC[C@H]32	ZINC000095918657	560055166	/nfs/dbraw/zinc/05/51/66/560055166.db2.gz	UUBNGVXGDKXQQJ-HNFSSWLOSA-N	-1	0	336.472	3.065	1	0	biogenic,in-vitro	EGAFRM
CCCCC[C@H](O)CC[C@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000014815702	571724460	/nfs/dbraw/zinc/72/44/60/571724460.db2.gz	CDWBHGXGXFTKRD-ULQDDVLXSA-N	-1	0	332.481	3.245	1	0	endogenous,in-man	EGAFRM
Cc1oc(-c2ccccc2)nc1CCC[C@H]1CO[C@@](C)(C(=O)[O-])OC1	ZINC000101139190	219117227	/nfs/dbraw/zinc/11/72/27/219117227.db2.gz	RRSHCOODPBATOO-QUWSVYMGSA-N	-1	0	345.395	3.437	1	0		EGAFRM
C[C@H]1CC[C@H](n2c(=O)cc([O-])n(CCc3ccc(Cl)cc3)c2=O)C1	ZINC000101678304	219155234	/nfs/dbraw/zinc/15/52/34/219155234.db2.gz	FLQXRRHYRQYFCC-WFASDCNBSA-N	-1	0	348.830	3.252	1	0		EGAFRM
Cc1cccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)n1	ZINC000040379287	213294267	/nfs/dbraw/zinc/29/42/67/213294267.db2.gz	WSONYVPATRQAES-UHFFFAOYSA-N	-1	0	342.395	3.419	1	0		EGAFRM
CCc1cc(=O)oc2c3c(c(C)c(OCC(=O)[O-])c12)OC(C)(C)C=C3	ZINC000064510438	214789176	/nfs/dbraw/zinc/78/91/76/214789176.db2.gz	LJNZVIKVHWIDJS-UHFFFAOYSA-N	-1	0	344.363	3.311	1	0		EGAFRM
C[C@@H]1CC[C@@H](n2c(=O)cc([O-])n(CCc3ccc(Cl)cc3)c2=O)C1	ZINC000101678307	219154851	/nfs/dbraw/zinc/15/48/51/219154851.db2.gz	FLQXRRHYRQYFCC-IUODEOHRSA-N	-1	0	348.830	3.252	1	0		EGAFRM
Cc1cccc(NC(=O)c2cc(Br)ccc2C(=O)[O-])n1	ZINC000103233752	219273882	/nfs/dbraw/zinc/27/38/82/219273882.db2.gz	IGEMKSYEPSTRAZ-UHFFFAOYSA-N	-1	0	335.157	3.103	1	0		EGAFRM
COc1cc(-c2coc3cc([O-])ccc3c2=O)cc(OC)c1OC	ZINC000039560291	213241329	/nfs/dbraw/zinc/24/13/29/213241329.db2.gz	SIQMOLXKVIRRAP-UHFFFAOYSA-N	-1	0	328.320	3.191	1	0		EGAFRM
O=C([O-])CCCN1C(=O)c2ccccc2[C@@H]2C(=O)c3ccccc3[C@@H]21	ZINC000028472820	212621173	/nfs/dbraw/zinc/62/11/73/212621173.db2.gz	BZJJJKWDOPUELD-ROUUACIJSA-N	-1	0	335.359	3.028	1	0		EGAFRM
O=C([O-])[C@@H]1CCn2c(C(=O)c3ccc(Br)cc3)ccc21	ZINC000025991992	212503971	/nfs/dbraw/zinc/50/39/71/212503971.db2.gz	SFRVPRYKCMAUMK-LLVKDONJSA-N	-1	0	334.169	3.054	1	0		EGAFRM
O=c1nc2nc[nH]c2c(SCc2ccc(F)cc2C(F)(F)F)[n-]1	ZINC000005973985	210570772	/nfs/dbraw/zinc/57/07/72/210570772.db2.gz	FMOVYJLNLUSSHR-UHFFFAOYSA-N	-1	0	344.293	3.460	1	0		EGAFRM
COc1ccccc1N1C(=O)CS[C@@H]1c1cccc(C(=O)[O-])c1	ZINC000169342676	534129718	/nfs/dbraw/zinc/12/97/18/534129718.db2.gz	IXSXEIPCIXQHQN-MRXNPFEDSA-N	-1	0	329.377	3.172	1	0		EGAFRM
COc1cc(OC)nc(Sc2cccc(SC)c2C(=O)[O-])n1	ZINC000103188535	219267793	/nfs/dbraw/zinc/26/77/93/219267793.db2.gz	DYXYIXGJVFJOIC-UHFFFAOYSA-N	-1	0	338.410	3.065	1	0		EGAFRM
O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1	ZINC000103223063	219271019	/nfs/dbraw/zinc/27/10/19/219271019.db2.gz	BCBOYQRLRBNHEN-ZSOIEALJSA-N	-1	0	340.360	3.016	1	0		EGAFRM
Cc1cccc(NC(=O)c2ccc(Br)cc2C(=O)[O-])n1	ZINC000103233736	219273339	/nfs/dbraw/zinc/27/33/39/219273339.db2.gz	YFXRITGJMFWXMO-UHFFFAOYSA-N	-1	0	335.157	3.103	1	0		EGAFRM
O=C([O-])c1cnn(-c2ccc(COCc3ccc(Cl)cc3)cn2)c1	ZINC000040584334	213353157	/nfs/dbraw/zinc/35/31/57/213353157.db2.gz	QWUCIHWDGFYAQL-UHFFFAOYSA-N	-1	0	343.770	3.336	1	0		EGAFRM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@@H]3CC[C@@]4(CO)C[C@@]3(CC4=O)CC[C@H]12	ZINC000040394894	213297835	/nfs/dbraw/zinc/29/78/35/213297835.db2.gz	AHYPILJMTQMLLD-ABYZYQIESA-N	-1	0	334.456	3.416	1	0		EGAFRM
O=C([O-])CCn1c2ccccc2n(Cc2cccc3ccccc32)c1=O	ZINC000072142822	216028143	/nfs/dbraw/zinc/02/81/43/216028143.db2.gz	YVAUFFDNRVGJTL-UHFFFAOYSA-N	-1	0	346.386	3.479	1	0		EGAFRM
CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(C(=O)[O-])cc2)n1	ZINC000009703875	211116406	/nfs/dbraw/zinc/11/64/06/211116406.db2.gz	KJGCEALLCMIHCK-UHFFFAOYSA-N	-1	0	336.347	3.414	1	0		EGAFRM
CC(=O)c1c(O)c(C=O)c([O-])c2c1O[C@]1(C)[C@@H]3C[C@H](C[C@@H]1C2)C3(C)C	ZINC000072109040	216010797	/nfs/dbraw/zinc/01/07/97/216010797.db2.gz	MIVUQNKWFZVHPG-QRKUMSLKSA-N	-1	0	344.407	3.489	1	0		EGAFRM
C[C@H]1C2=CC(=O)O[C@]2(O)C[C@H]2[C@H]1CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]12C	ZINC000040893119	213397169	/nfs/dbraw/zinc/39/71/69/213397169.db2.gz	YWQJKAJFLCNHPB-LXTJJRHQSA-N	-1	0	348.439	3.122	1	0	biogenic,in-vitro	EGAFRM
COc1ccc(Cl)cc1[C@@H](C)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000027560491	212565556	/nfs/dbraw/zinc/56/55/56/212565556.db2.gz	JIEZQGOOOHBLCB-LLVKDONJSA-N	-1	0	347.798	3.467	1	0		EGAFRM
Cc1cc(C(=O)[O-])nn1Cc1cc(Cl)cn2nc(C(C)C)cc12	ZINC000073404106	216383659	/nfs/dbraw/zinc/38/36/59/216383659.db2.gz	MZBKGEWKSJUBDD-UHFFFAOYSA-N	-1	0	332.791	3.363	1	0		EGAFRM
O=C([O-])[C@@H]1C=CS[C@@H]1NC(=O)c1cccc(Oc2ccccc2)c1	ZINC000040424214	213303264	/nfs/dbraw/zinc/30/32/64/213303264.db2.gz	SKXPJOOQFLIYNP-WBVHZDCISA-N	-1	0	341.388	3.496	1	0		EGAFRM
COc1ccc(Oc2oc3cc([O-])cc(OC)c3c(=O)c2OC)cc1	ZINC000095486295	290993401	/nfs/dbraw/zinc/99/34/01/290993401.db2.gz	IGBGVZFFGRZMLW-UHFFFAOYSA-N	-1	0	344.319	3.317	1	0	biogenic,in-vitro	EGAFRM
Cc1cccc(Nc2cnccc2[N-]S(=O)(=O)C(F)(F)F)c1	ZINC000049563438	214018721	/nfs/dbraw/zinc/01/87/21/214018721.db2.gz	JXSVJEKTMZHWFF-UHFFFAOYSA-N	-1	0	331.319	3.395	1	0		EGAFRM
O=c1cc([O-])c2c(=O)n(-c3ccccc3)c3c(c2o1)CCCCCC3	ZINC000008855144	211012113	/nfs/dbraw/zinc/01/21/13/211012113.db2.gz	IVBPGSDWVLIPRO-UHFFFAOYSA-N	-1	0	337.375	3.309	1	0		EGAFRM
COc1ccc(N2C(=O)CC[C@H](C(=O)[O-])[C@H]2c2ccc(F)cc2)cc1	ZINC000000269726	135648052	/nfs/dbraw/zinc/64/80/52/135648052.db2.gz	DGKVIINXYTUEOQ-FUHWJXTLSA-N	-1	0	343.354	3.403	3	0		EGAFRM
CCCCC[C@H](O)CC[C@@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000014815700	571724313	/nfs/dbraw/zinc/72/43/13/571724313.db2.gz	CDWBHGXGXFTKRD-YESZJQIVSA-N	-1	0	332.481	3.245	1	0	endogenous,in-man	EGAFRM
CSc1ccc2c(c1)c([O-])c(C(=O)c1ccccc1)c(=O)n2C	ZINC000101349014	219123127	/nfs/dbraw/zinc/12/31/27/219123127.db2.gz	DCZBIKHGBVLXAK-UHFFFAOYSA-N	-1	0	325.389	3.197	1	0		EGAFRM
O=C1CCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F	ZINC000103205833	219269502	/nfs/dbraw/zinc/26/95/02/219269502.db2.gz	LMMXKEXFNJMNTI-LLVKDONJSA-N	-1	0	341.738	3.222	1	0		EGAFRM
C[C@@H]1CC[C@@]2(CO)C(C(=O)[O-])=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1	ZINC000072320356	216148287	/nfs/dbraw/zinc/14/82/87/216148287.db2.gz	HVPKRKMUIFIKAV-PUIHCZSXSA-N	-1	0	348.439	3.019	1	0		EGAFRM
COc1ccc2cccc(CCNC(=O)CC(C)(C)CC(=O)[O-])c2c1	ZINC000169311999	533338572	/nfs/dbraw/zinc/33/85/72/533338572.db2.gz	DWHOURGDHYCMQP-UHFFFAOYSA-N	-1	0	343.423	3.398	1	0		EGAFRM