smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2cccc(/C=N/c3cccc(/C=C/C(=O)[O-])c3)c21	ZINC000036181927	213075347	/nfs/dbraw/zinc/07/53/47/213075347.db2.gz	ZZRDXWQJNWMTMN-DVBYBJGBSA-N	-1	0	331.371	4.697	40	30		EJEBRM
CC(=[NH+][N-]c1nnc(SCC(C)C)[n-]1)c1ccc2ccccc2c1	ZINC000020468754	518469294	/nfs/dbraw/zinc/46/92/94/518469294.db2.gz	YJXGOIQJJMWTOF-DEDYPNTBSA-N	-1	0	339.468	4.542	40	30		EJEBRM
CC[C@@H](C)Oc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000408601161	563496537	/nfs/dbraw/zinc/49/65/37/563496537.db2.gz	IVHYPZPPLPEWDO-ZICWZVMQSA-N	-1	0	346.814	4.662	40	30		EJEBRM
COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Cl)c1[O-]	ZINC000408740001	563639446	/nfs/dbraw/zinc/63/94/46/563639446.db2.gz	HMPAIOAJSKLQAZ-AWQFTUOYSA-N	-1	0	346.839	4.617	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1C1CCCCC1	ZINC000408741910	563639996	/nfs/dbraw/zinc/63/99/96/563639996.db2.gz	SKFFAGZHZYRANE-CIAFOILYSA-N	-1	0	340.423	4.765	40	30		EJEBRM
C[C@H](Oc1ccc(/C=N\c2ccc(C(C)(C)C)cc2)cc1)C(=O)[O-]	ZINC000408851928	564007570	/nfs/dbraw/zinc/00/75/70/564007570.db2.gz	BSYCLUNXLZHFBG-DTHVTWRFSA-N	-1	0	325.408	4.587	40	30		EJEBRM
CSc1ccccc1/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000408933051	564008124	/nfs/dbraw/zinc/00/81/24/564008124.db2.gz	HAYAMMOOIGICSG-DEDYPNTBSA-N	-1	0	336.416	4.648	40	30		EJEBRM
Cc1cc(N2CCCC2)ccc1/C=N/c1cc(C(=O)[O-])ccc1Cl	ZINC000408959786	564008282	/nfs/dbraw/zinc/00/82/82/564008282.db2.gz	FXSHUNCOSNCKTR-CIAFOILYSA-N	-1	0	342.826	4.697	40	30		EJEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(F)c(Cl)c2)c1	ZINC000409096607	564009840	/nfs/dbraw/zinc/00/98/40/564009840.db2.gz	KATUEPXDGRZTPZ-SRZZPIQSSA-N	-1	0	342.757	4.719	40	30		EJEBRM
CCCCCCCCOc1ccc(Br)cc1C(=O)[O-]	ZINC000105713695	564014406	/nfs/dbraw/zinc/01/44/06/564014406.db2.gz	FXZMAOLOSQTMAP-UHFFFAOYSA-N	-1	0	329.234	4.887	40	30		EJEBRM
[O-]/N=C/c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1	ZINC000226244318	564117155	/nfs/dbraw/zinc/11/71/55/564117155.db2.gz	BBFRATLHAPMULJ-PJQLUOCWSA-N	-1	0	334.984	4.824	40	30		EJEBRM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC/C(C)=C/C(=O)OC	ZINC000031155937	564158975	/nfs/dbraw/zinc/15/89/75/564158975.db2.gz	AKIRMBMADXTLAC-PWDYIDGUSA-N	-1	0	348.483	4.749	40	30	biogenic,in-vitro	EJEBRM
CCCCCCCc1ccc(C(=O)[O-])cc1I	ZINC000100082837	219090982	/nfs/dbraw/zinc/09/09/82/219090982.db2.gz	ZHLGDXUHUDXKDL-UHFFFAOYSA-N	-1	0	346.208	4.502	40	30		EJEBRM
C=C(C)[C@@H](C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1O	ZINC000038342864	213208152	/nfs/dbraw/zinc/20/81/52/213208152.db2.gz	SWPKMTGYQGHLJS-DNGMOHDESA-N	-1	0	338.403	4.682	40	30	biogenic,in-vitro	EJEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(Br)cn1	ZINC000016513375	211910367	/nfs/dbraw/zinc/91/03/67/211910367.db2.gz	LGWRBVZRBCAYKL-FZSIALSZSA-N	-1	0	346.011	4.607	40	30		EJEBRM
CC(C)OC(=S)[N-]c1ccc(Cl)c(/C=N\OC(C)(C)C)c1	ZINC000005811797	210540027	/nfs/dbraw/zinc/54/00/27/210540027.db2.gz	RCXQHLSNKCYCLP-MFOYZWKCSA-N	-1	0	328.865	4.611	40	30	investigational	EJEBRM
COc1cccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000408963503	257885537	/nfs/dbraw/zinc/88/55/37/257885537.db2.gz	ZTLFUAINCKKERK-CIAFOILYSA-N	-1	0	335.359	4.712	40	30		EJEBRM
C[C@@H](Oc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1)C(=O)[O-]	ZINC000408854454	257886976	/nfs/dbraw/zinc/88/69/76/257886976.db2.gz	GCBZGQVYRNBKBS-DWOMLUCJSA-N	-1	0	338.190	4.596	40	30		EJEBRM
C[C@@H](Oc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)C(=O)[O-]	ZINC000408851594	257887516	/nfs/dbraw/zinc/88/75/16/257887516.db2.gz	LNRREZRDBPOOHE-DWOMLUCJSA-N	-1	0	338.190	4.596	40	30		EJEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Oc3ccccc3)cc2)c1	ZINC000005378020	563530486	/nfs/dbraw/zinc/53/04/86/563530486.db2.gz	VVAOHMGBAKHHAW-DEDYPNTBSA-N	-1	0	334.331	4.843	40	30		EJEBRM
Cc1ccc(COc2ccc(C(=O)C=C([O-])C(F)(F)F)cc2)cc1	ZINC000408702609	563588891	/nfs/dbraw/zinc/58/88/91/563588891.db2.gz	LHBMGJPTKPVIMZ-YVLHZVERSA-N	-1	0	336.309	4.761	40	30		EJEBRM
COc1c2ccoc2cc([O-])c1C(=O)/C=C\c1ccc(Cl)cc1	ZINC000013409814	563698083	/nfs/dbraw/zinc/69/80/83/563698083.db2.gz	KVPPJWSRECHASD-DAXSKMNVSA-N	-1	0	328.751	4.697	40	30		EJEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000408859432	564007698	/nfs/dbraw/zinc/00/76/98/564007698.db2.gz	WUQFZLJKZQOPPN-PFRBSUFTSA-N	-1	0	345.398	4.956	40	30		EJEBRM
CC[C@H](C)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(OC)c1[O-]	ZINC000005908035	564034372	/nfs/dbraw/zinc/03/43/72/564034372.db2.gz	TZDQXHADLDEABP-MKFNJMOCSA-N	-1	0	328.368	4.573	40	30		EJEBRM
N#Cc1ccc(Oc2ccc(Oc3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000008473595	564134037	/nfs/dbraw/zinc/13/40/37/564134037.db2.gz	VESIXZPLDRQSMW-UHFFFAOYSA-N	-1	0	331.327	4.841	40	30		EJEBRM
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC/C(C)=C/C(=O)OC	ZINC000031155942	564158984	/nfs/dbraw/zinc/15/89/84/564158984.db2.gz	AKIRMBMADXTLAC-RHDWAJSZSA-N	-1	0	348.483	4.749	40	30	biogenic,in-vitro	EJEBRM
C[C@@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000004403984	210187961	/nfs/dbraw/zinc/18/79/61/210187961.db2.gz	QETBTXOVEBTJQH-CPSDKUETSA-N	-1	0	344.495	4.855	40	30		EJEBRM
C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000229884706	242211347	/nfs/dbraw/zinc/21/13/47/242211347.db2.gz	SHVMYTQKYXOYAT-OPYAIIAOSA-N	-1	0	347.414	4.776	40	30		EJEBRM
CCOc1ccc(-c2cc(-c3ccc(CC)cc3)[n-]c(=O)c2C#N)cc1	ZINC000008816526	211009632	/nfs/dbraw/zinc/00/96/32/211009632.db2.gz	RNXNWXGMIBELQV-UHFFFAOYSA-N	-1	0	344.414	4.542	40	30		EJEBRM
CC(N=Nc1nc2ccccc2s1)N=Nc1ccccc1C(=O)[O-]	ZINC000004832865	210292582	/nfs/dbraw/zinc/29/25/82/210292582.db2.gz	WFXLFWOXFCMEMJ-MNJINHJASA-N	-1	0	339.380	4.524	40	30		EJEBRM
O=C([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1	ZINC000409208205	257874301	/nfs/dbraw/zinc/87/43/01/257874301.db2.gz	AHKRUNGKUVUKHR-HYARGMPZSA-N	-1	0	331.371	4.714	40	30		EJEBRM
CCCCc1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000059678288	257849572	/nfs/dbraw/zinc/84/95/72/257849572.db2.gz	GKPLRCNORZDQOH-CIAFOILYSA-N	-1	0	345.826	4.897	40	30		EJEBRM
O=C([O-])COc1ccc(/C=N/c2cccc3ccccc32)cc1Cl	ZINC000059303304	257850524	/nfs/dbraw/zinc/85/05/24/257850524.db2.gz	DGDFMMRRNDOJMJ-SRZZPIQSSA-N	-1	0	339.778	4.707	40	30		EJEBRM
COc1c2ccoc2cc([O-])c1C(=O)/C=C/c1ccc(Cl)cc1	ZINC000005675295	563545081	/nfs/dbraw/zinc/54/50/81/563545081.db2.gz	KVPPJWSRECHASD-QPJJXVBHSA-N	-1	0	328.751	4.697	40	30		EJEBRM
O=[N+]([O-])C(N=Nc1ccc(Cl)cc1)=N[N-]c1ccc(Cl)cc1	ZINC000018188269	563850700	/nfs/dbraw/zinc/85/07/00/563850700.db2.gz	GOKHYVPGRILSNA-JYRUFNGFSA-N	-1	0	338.154	4.737	40	30		EJEBRM
CCCCc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000039557412	563900396	/nfs/dbraw/zinc/90/03/96/563900396.db2.gz	UFDAHTRSOORTOK-HFITWMCCSA-N	-1	0	325.408	4.632	40	30		EJEBRM
CCCCc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000039557411	563900443	/nfs/dbraw/zinc/90/04/43/563900443.db2.gz	UFDAHTRSOORTOK-HBBMIWKISA-N	-1	0	325.408	4.632	40	30		EJEBRM
Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1cccc(C)c1	ZINC000408760977	563996931	/nfs/dbraw/zinc/99/69/31/563996931.db2.gz	BJAHKANOSCCMCQ-OEAKJJBVSA-N	-1	0	346.430	4.720	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1-c1ccccc1	ZINC000408771088	564007152	/nfs/dbraw/zinc/00/71/52/564007152.db2.gz	DAZVOTBHNUOAEX-LPYMAVHISA-N	-1	0	332.403	4.851	40	30		EJEBRM
CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000409010515	564008881	/nfs/dbraw/zinc/00/88/81/564008881.db2.gz	FGGKNEAZWITOIX-DQAKUKQTSA-N	-1	0	331.799	4.966	40	30		EJEBRM
CSc1ccccc1/N=C/c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409108371	564010184	/nfs/dbraw/zinc/01/01/84/564010184.db2.gz	WVGKDZPJIXRCLT-DEDYPNTBSA-N	-1	0	336.416	4.648	40	30		EJEBRM
Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCC(=O)[O-]	ZINC000409200484	564011019	/nfs/dbraw/zinc/01/10/19/564011019.db2.gz	HOLBSRWEJBOOJB-UFWORHAWSA-N	-1	0	338.190	4.516	40	30		EJEBRM
CCc1n[n-]c(=S)n1N=Cc1c2ccccc2cc2ccccc21	ZINC000006684815	564129823	/nfs/dbraw/zinc/12/98/23/564129823.db2.gz	KCFMTCNMAYJSTL-UDWIEESQSA-N	-1	0	332.432	4.692	40	30		EJEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(F)cc2)cc1	ZINC000140012466	564130043	/nfs/dbraw/zinc/13/00/43/564130043.db2.gz	CFHDYAQPCRNVMV-YDZHTSKRSA-N	-1	0	349.361	4.854	40	30		EJEBRM
C=C(C(=O)[O-])[C@H]1C[C@@H]2C(=C)CCC[C@@]2(C)[C@@H](OC(=O)C[C@H](C)CC)C1	ZINC000253389117	564130395	/nfs/dbraw/zinc/13/03/95/564130395.db2.gz	QVSFEOQJKPOOHP-NDMKSSLKSA-N	-1	0	348.483	4.748	40	30	biogenic,in-vitro	EJEBRM
N#Cc1c(/N=C\c2cc(Cl)cc(Cl)c2[O-])sc2c1CCC2	ZINC000101503015	219129308	/nfs/dbraw/zinc/12/93/08/219129308.db2.gz	ZLCCXOOZFJEICE-GXHLCREISA-N	-1	0	337.231	4.871	40	30		EJEBRM
C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004959435	210340503	/nfs/dbraw/zinc/34/05/03/210340503.db2.gz	SHVMYTQKYXOYAT-UEXGIBASSA-N	-1	0	347.414	4.776	40	30		EJEBRM
Cc1ccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)cc1Cl	ZINC000408812222	257888148	/nfs/dbraw/zinc/88/81/48/257888148.db2.gz	CVBGHLLMYDFAHI-UWVJOHFNSA-N	-1	0	338.190	4.516	40	30		EJEBRM
FC(F)(F)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000254567502	527681547	/nfs/dbraw/zinc/68/15/47/527681547.db2.gz	UAQXKCYELPNUHJ-UHFFFAOYSA-N	-1	0	348.353	4.509	40	30		EJEBRM
C=CCOc1ccc2ccccc2c1CNc1cccc(C(=O)[O-])c1	ZINC000408614150	563499759	/nfs/dbraw/zinc/49/97/59/563499759.db2.gz	YZPIGZYYHHCLRG-UHFFFAOYSA-N	-1	0	333.387	4.715	40	30		EJEBRM
CCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000028539103	563903284	/nfs/dbraw/zinc/90/32/84/563903284.db2.gz	RKQUHHNIJVGMIG-LJQANCHMSA-N	-1	0	347.499	4.719	40	30		EJEBRM
S=c1[n-]nc(-c2cccc(Cl)c2)n1N=Cc1cccc(Cl)c1	ZINC000003337267	564004455	/nfs/dbraw/zinc/00/44/55/564004455.db2.gz	CVYIAXGULLROHO-GIJQJNRQSA-N	-1	0	349.246	4.797	40	30		EJEBRM
C[C@@H](Oc1ccc(/C=N\c2ccc(C(C)(C)C)cc2)cc1)C(=O)[O-]	ZINC000408851929	564007574	/nfs/dbraw/zinc/00/75/74/564007574.db2.gz	BSYCLUNXLZHFBG-SFDYMUJDSA-N	-1	0	325.408	4.587	40	30		EJEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000408859429	564007753	/nfs/dbraw/zinc/00/77/53/564007753.db2.gz	WUQFZLJKZQOPPN-LGVXEURYSA-N	-1	0	345.398	4.956	40	30		EJEBRM
O=C([O-])c1ccc(Cl)c(/N=C\c2ccc(N3CCCCC3)cc2)c1	ZINC000408859075	564007761	/nfs/dbraw/zinc/00/77/61/564007761.db2.gz	VWGRHMKSLPRRRA-BKUYFWCQSA-N	-1	0	342.826	4.779	40	30		EJEBRM
O=C([O-])COc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1	ZINC000409210873	564011121	/nfs/dbraw/zinc/01/11/21/564011121.db2.gz	LIBSYEVQBKWSDT-HMAPJEAMSA-N	-1	0	347.370	4.693	40	30		EJEBRM
CC(=NOCc1cccc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1	ZINC000254479502	564053678	/nfs/dbraw/zinc/05/36/78/564053678.db2.gz	PZPQHDWFTUNGCU-UHFFFAOYSA-N	-1	0	338.190	4.632	40	30		EJEBRM
[O-]/N=C/c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1	ZINC000057327483	564091499	/nfs/dbraw/zinc/09/14/99/564091499.db2.gz	MCMKAQZIQNZKIW-UBKPWBPPSA-N	-1	0	334.091	4.536	40	30		EJEBRM
C=C(C(=O)[O-])[C@@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@]2(C)CCCC(=C)[C@@H]2C1	ZINC000253389118	564130387	/nfs/dbraw/zinc/13/03/87/564130387.db2.gz	QVSFEOQJKPOOHP-YITDUUBZSA-N	-1	0	348.483	4.748	40	30	biogenic,in-vitro	EJEBRM
CC(C)(C)C1CCC(CC2=C([O-])c3ccccc3C(=O)C2=O)CC1	ZINC000100871160	219109907	/nfs/dbraw/zinc/10/99/07/219109907.db2.gz	NEGDTWQGGLJCTL-UHFFFAOYSA-N	-1	0	326.436	4.964	40	30		EJEBRM
O=[N+]([O-])C(N=Nc1ccc(Cl)cc1)=N[N-]c1ccc(Cl)cc1	ZINC000104111212	219348321	/nfs/dbraw/zinc/34/83/21/219348321.db2.gz	GOKHYVPGRILSNA-WOZMVSLESA-N	-1	0	338.154	4.737	40	30		EJEBRM
COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000408667030	563531457	/nfs/dbraw/zinc/53/14/57/563531457.db2.gz	PXCGLNDHSCWXOK-ZRDIBKRKSA-N	-1	0	348.354	4.550	40	30		EJEBRM
O=C([O-])c1cc(/N=C/c2ccc(N3CCCCC3)cc2)ccc1Cl	ZINC000005898945	563553572	/nfs/dbraw/zinc/55/35/72/563553572.db2.gz	YXPYLLMUXSRTOJ-FYJGNVAPSA-N	-1	0	342.826	4.779	40	30		EJEBRM
O=C([O-])c1ccc(Cl)cc1NC=CC(=O)c1ccc(Cl)cc1	ZINC000005944623	563555004	/nfs/dbraw/zinc/55/50/04/563555004.db2.gz	BCNFBLLEWZUDTJ-FPLPWBNLSA-N	-1	0	336.174	4.500	40	30		EJEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1cccc(C)c1	ZINC000408757029	563641166	/nfs/dbraw/zinc/64/11/66/563641166.db2.gz	ZFEXOAWKSQLBHG-LPYMAVHISA-N	-1	0	332.403	4.851	40	30		EJEBRM
CC(C)OC(=S)[N-]c1ccc(Cl)c(/C=N/OC(C)(C)C)c1	ZINC000016957942	563827259	/nfs/dbraw/zinc/82/72/59/563827259.db2.gz	RCXQHLSNKCYCLP-RQZCQDPDSA-N	-1	0	328.865	4.611	40	30		EJEBRM
CCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000059144565	563947761	/nfs/dbraw/zinc/94/77/61/563947761.db2.gz	OFWGTRJQCVYFBE-KRWDZBQOSA-N	-1	0	325.493	4.763	40	30		EJEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1-c1ccccc1	ZINC000408778987	564007240	/nfs/dbraw/zinc/00/72/40/564007240.db2.gz	OIFCFSIYNHDUFN-LPYMAVHISA-N	-1	0	332.403	4.851	40	30		EJEBRM
Cc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)c(C)n1-c1ccccc1	ZINC000408784294	564007268	/nfs/dbraw/zinc/00/72/68/564007268.db2.gz	AOYHIEFQLIXBGJ-XKZIYDEJSA-N	-1	0	332.403	4.851	40	30		EJEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(F)c(Cl)c2)cc1	ZINC000408942237	564008194	/nfs/dbraw/zinc/00/81/94/564008194.db2.gz	XARGROSOQQTPQQ-SRZZPIQSSA-N	-1	0	342.757	4.719	40	30		EJEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1[O-]	ZINC000409213380	564011099	/nfs/dbraw/zinc/01/10/99/564011099.db2.gz	UAPYJWFSTXMMQP-DEDYPNTBSA-N	-1	0	334.331	4.843	40	30		EJEBRM
C[C@@H](Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1)C(=O)[O-]	ZINC000059248984	564050547	/nfs/dbraw/zinc/05/05/47/564050547.db2.gz	FIFJOAKCJFZMFP-DWOMLUCJSA-N	-1	0	338.190	4.596	40	30		EJEBRM
COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000007939577	564129868	/nfs/dbraw/zinc/12/98/68/564129868.db2.gz	KFPWGAQQSQALSP-ZRDIBKRKSA-N	-1	0	348.354	4.550	40	30		EJEBRM
O=C([O-])c1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	ZINC000000050194	209390211	/nfs/dbraw/zinc/39/02/11/209390211.db2.gz	MHNQCOSCZPCZBS-YDZHTSKRSA-N	-1	0	349.361	4.854	40	30		EJEBRM
COc1ccc(/C=C(/C(=O)c2ccc(O)cc2)c2ccccc2)cc1	ZINC000004963818	210341775	/nfs/dbraw/zinc/34/17/75/210341775.db2.gz	ZFODNKVBRIMZOB-RCCKNPSSSA-N	-1	0	330.383	4.824	40	30		EJEBRM
Cc1ccc(/N=C/c2c(OCC(=O)[O-])ccc3ccccc32)cc1C	ZINC000409213742	257874296	/nfs/dbraw/zinc/87/42/96/257874296.db2.gz	UMCVINHGHKPNIL-WSDLNYQXSA-N	-1	0	333.387	4.671	40	30		EJEBRM
CC(C)COc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000408600066	257894625	/nfs/dbraw/zinc/89/46/25/257894625.db2.gz	SRWGYTHJUFSDFV-KEBDBYFISA-N	-1	0	346.814	4.519	40	30		EJEBRM
C=C(C(=O)[O-])[C@H]1C[C@@H](OC(=O)C[C@H](C)CC)[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000049180767	518584660	/nfs/dbraw/zinc/58/46/60/518584660.db2.gz	QVSFEOQJKPOOHP-YCWNNZFFSA-N	-1	0	348.483	4.748	40	30	biogenic,in-vitro	EJEBRM
O=C(C=C([O-])c1ccccc1)C=C(c1ccccc1)c1ccccc1	ZINC000004705801	526314784	/nfs/dbraw/zinc/31/47/84/526314784.db2.gz	FNRLWUWXUYMMSE-UHFFFAOYSA-N	-1	0	326.395	4.960	40	30		EJEBRM
CCN(CC)c1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000059129008	563947709	/nfs/dbraw/zinc/94/77/09/563947709.db2.gz	KSHZIONFSIOWOY-YBFXNURJSA-N	-1	0	347.802	4.551	40	30		EJEBRM
Cc1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)c([O-])c2)c1O	ZINC000000318225	563996797	/nfs/dbraw/zinc/99/67/97/563996797.db2.gz	RKJSTPXLRJBHCM-WSDLNYQXSA-N	-1	0	344.370	4.965	40	30		EJEBRM
Cc1c(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cccc1C(=O)[O-]	ZINC000409016989	564008977	/nfs/dbraw/zinc/00/89/77/564008977.db2.gz	CMUFZJWCFLDNAQ-WSDLNYQXSA-N	-1	0	330.343	4.576	40	30		EJEBRM
CCCCCCCCCCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O	ZINC000105330147	564014149	/nfs/dbraw/zinc/01/41/49/564014149.db2.gz	COAVQEFBLHOZMS-SFHVURJKSA-N	-1	0	344.503	4.963	40	30		EJEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2[C@@H](C)CC)c1[O-]	ZINC000005908038	564129794	/nfs/dbraw/zinc/12/97/94/564129794.db2.gz	NSHVFHDPWOAVBL-DZUMZMOTSA-N	-1	0	342.395	4.963	40	30		EJEBRM
CCn1c(=O)c(/C=N/c2cccc3ccccc32)c([O-])c2ccccc21	ZINC000100192855	219094393	/nfs/dbraw/zinc/09/43/93/219094393.db2.gz	IOJIGQGWOGCITE-OEAKJJBVSA-N	-1	0	342.398	4.631	40	30		EJEBRM
C/C(=N\c1ccc2ccccc2c1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362596	219097687	/nfs/dbraw/zinc/09/76/87/219097687.db2.gz	BOTABIYYZCCFBS-OEAKJJBVSA-N	-1	0	342.398	4.538	40	30		EJEBRM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2)cc1	ZINC000004464515	210194708	/nfs/dbraw/zinc/19/47/08/210194708.db2.gz	JOHXBBCEIMGGIP-MOSHPQCFSA-N	-1	0	336.464	4.787	40	30		EJEBRM
Cc1ccc(/N=C\c2cccn2-c2cccc(C(=O)[O-])c2)cc1Cl	ZINC000409084265	257880459	/nfs/dbraw/zinc/88/04/59/257880459.db2.gz	CISWXSNSZAQZEZ-MTJSOVHGSA-N	-1	0	338.794	4.888	40	30		EJEBRM
CC[C@@H](C)Oc1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1Cl	ZINC000409012802	257882865	/nfs/dbraw/zinc/88/28/65/257882865.db2.gz	KWLIGCHVULTSJX-ZICWZVMQSA-N	-1	0	331.799	4.966	40	30		EJEBRM
COc1ccccc1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000408960095	257885207	/nfs/dbraw/zinc/88/52/07/257885207.db2.gz	JJWOPJVSQJCNRH-CIAFOILYSA-N	-1	0	335.359	4.712	40	30		EJEBRM
COc1ccc(C/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000408961520	257885436	/nfs/dbraw/zinc/88/54/36/257885436.db2.gz	MVMAOPZKCLKINU-XKZIYDEJSA-N	-1	0	349.386	4.581	40	30		EJEBRM
Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000408692787	257892862	/nfs/dbraw/zinc/89/28/62/257892862.db2.gz	VJFSYBXUWIAKSM-ZRDIBKRKSA-N	-1	0	332.355	4.849	40	30		EJEBRM
C=C(C(=O)[O-])[C@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000049180772	518585594	/nfs/dbraw/zinc/58/55/94/518585594.db2.gz	QVSFEOQJKPOOHP-UZXPACTOSA-N	-1	0	348.483	4.748	40	30	biogenic,in-vitro	EJEBRM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000002328309	563429327	/nfs/dbraw/zinc/42/93/27/563429327.db2.gz	BXMXPYVWPKHONE-UYRXBGFRSA-N	-1	0	344.484	4.659	40	30		EJEBRM
CCCCOc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000408604293	563496777	/nfs/dbraw/zinc/49/67/77/563496777.db2.gz	UQWRKEBPWQPXIK-NDENLUEZSA-N	-1	0	346.814	4.663	40	30		EJEBRM
O=C([O-])c1ccc(/N=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000004808151	563511638	/nfs/dbraw/zinc/51/16/38/563511638.db2.gz	PCESDWWIFVPSOX-HYARGMPZSA-N	-1	0	329.355	4.637	40	30		EJEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2c(O)ccc3ccccc32)c1[O-]	ZINC000005518369	563536551	/nfs/dbraw/zinc/53/65/51/563536551.db2.gz	DXSALRWBPKZLTC-DJKKODMXSA-N	-1	0	342.738	4.563	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(F)cc1	ZINC000408738103	563635314	/nfs/dbraw/zinc/63/53/14/563635314.db2.gz	NVYPYZQCXYNIHV-WSDLNYQXSA-N	-1	0	336.366	4.682	40	30		EJEBRM
Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1cccc(C)c1	ZINC000015225849	563780358	/nfs/dbraw/zinc/78/03/58/563780358.db2.gz	OHSWYFIZLROIJA-UUYOSTAYSA-N	-1	0	348.402	4.557	40	30		EJEBRM
Cc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1	ZINC000016348985	563809364	/nfs/dbraw/zinc/80/93/64/563809364.db2.gz	MRZNYKGTYSRAPB-HYARGMPZSA-N	-1	0	346.386	4.950	40	30		EJEBRM
Oc1ccc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1	ZINC000017023273	563828850	/nfs/dbraw/zinc/82/88/50/563828850.db2.gz	HZEUNSTWVBILMM-UFWORHAWSA-N	-1	0	344.130	4.924	40	30		EJEBRM
C[C@H](Oc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1)C(=O)[O-]	ZINC000408854455	564007679	/nfs/dbraw/zinc/00/76/79/564007679.db2.gz	GCBZGQVYRNBKBS-OVNPTBDBSA-N	-1	0	338.190	4.596	40	30		EJEBRM
Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408915788	564008034	/nfs/dbraw/zinc/00/80/34/564008034.db2.gz	YNYRHYUMOCKCLR-LPYMAVHISA-N	-1	0	347.418	4.547	40	30		EJEBRM
CC(=O)c1ccc(N=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000408960388	564008309	/nfs/dbraw/zinc/00/83/09/564008309.db2.gz	FLDHDPFZFHPKLZ-WSDLNYQXSA-N	-1	0	347.370	4.906	40	30		EJEBRM
Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408962566	564008343	/nfs/dbraw/zinc/00/83/43/564008343.db2.gz	ZFLFMFKJYOHNKR-CIAFOILYSA-N	-1	0	342.826	4.697	40	30		EJEBRM
CCOc1ccc(Cl)cc1/C=N/c1cc(C(=O)[O-])ccc1Cl	ZINC000409105010	564010091	/nfs/dbraw/zinc/01/00/91/564010091.db2.gz	HOXBTXPFLZDLMX-DJKKODMXSA-N	-1	0	338.190	4.841	40	30		EJEBRM
Cc1cc(C(=O)[O-])ccc1NC=CC(=O)c1cccc2ccccc21	ZINC000409179849	564010795	/nfs/dbraw/zinc/01/07/95/564010795.db2.gz	OILVCBBDZHNLCA-VAWYXSNFSA-N	-1	0	331.371	4.655	40	30		EJEBRM
Cc1c(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c2ccccc2n1C	ZINC000059678642	564050971	/nfs/dbraw/zinc/05/09/71/564050971.db2.gz	XLOMPLMTRYLRBB-KEBDBYFISA-N	-1	0	326.783	4.589	40	30		EJEBRM
CC[C@@H](C)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(OC)c1[O-]	ZINC000005907518	564129741	/nfs/dbraw/zinc/12/97/41/564129741.db2.gz	TZDQXHADLDEABP-ZGXHQARYSA-N	-1	0	328.368	4.573	40	30		EJEBRM
N=C1SC(=Cc2cccc3ccccc23)C([O-])=C1c1nccs1	ZINC000137644715	564130036	/nfs/dbraw/zinc/13/00/36/564130036.db2.gz	XKVKRJWQAYJOHA-PAOGCMMFSA-N	-1	0	336.441	4.714	40	30		EJEBRM
N#Cc1ccc(-c2ccccc2)nc1S[C@@H](C(=O)[O-])c1ccccc1	ZINC000000154676	564132912	/nfs/dbraw/zinc/13/29/12/564132912.db2.gz	DGTYVSCNPDMFQA-GOSISDBHSA-N	-1	0	346.411	4.538	40	30		EJEBRM
CCn1c(=O)c(/C=N/c2ccc3ccccc3c2)c([O-])c2ccccc21	ZINC000100192845	219094159	/nfs/dbraw/zinc/09/41/59/219094159.db2.gz	SIAKXGPUKZPDLW-OEAKJJBVSA-N	-1	0	342.398	4.631	40	30		EJEBRM
CCCCC[C@@H](O)/C=C/C1=C(CCCCCCC(=O)[O-])C(=O)CC1	ZINC000003874780	210082453	/nfs/dbraw/zinc/08/24/53/210082453.db2.gz	YBHMPNRDOVPQIN-ABDJAZHISA-N	-1	0	336.472	4.569	40	30	in-vitro	EJEBRM
Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000409242860	257873530	/nfs/dbraw/zinc/87/35/30/257873530.db2.gz	PJHMOVXVPPKCCL-CIAFOILYSA-N	-1	0	338.794	4.888	40	30		EJEBRM
Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1cccc(C)c1	ZINC000408761445	257889048	/nfs/dbraw/zinc/88/90/48/257889048.db2.gz	KHRFMABPLFELFS-CIAFOILYSA-N	-1	0	349.390	4.767	40	30		EJEBRM
CC[C@H](C)Oc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000408601158	257894744	/nfs/dbraw/zinc/89/47/44/257894744.db2.gz	IVHYPZPPLPEWDO-DQAKUKQTSA-N	-1	0	346.814	4.662	40	30		EJEBRM
Fc1cccc(Cl)c1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000000548346	563344544	/nfs/dbraw/zinc/34/45/44/563344544.db2.gz	XIYKJVQQUWZWBR-NVMNQCDNSA-N	-1	0	338.839	4.663	40	30		EJEBRM
CC(C)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000002700086	563446337	/nfs/dbraw/zinc/44/63/37/563446337.db2.gz	JBDLCESJJQMSJI-UNOMPAQXSA-N	-1	0	328.485	4.994	40	30		EJEBRM
CSc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000005942551	563554665	/nfs/dbraw/zinc/55/46/65/563554665.db2.gz	GHUPSBNKNMBCSA-UDWIEESQSA-N	-1	0	337.448	4.667	40	30		EJEBRM
Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])c(C)c1	ZINC000000061806	563971401	/nfs/dbraw/zinc/97/14/01/563971401.db2.gz	RVKMKDSFVJPHOE-UFWORHAWSA-N	-1	0	332.787	4.938	40	30		EJEBRM
COc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])cc3)c2C)cc1	ZINC000408913126	564007986	/nfs/dbraw/zinc/00/79/86/564007986.db2.gz	SRLSEUGCQDOVMR-LPYMAVHISA-N	-1	0	348.402	4.552	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccccc1C	ZINC000408910594	564007988	/nfs/dbraw/zinc/00/79/88/564007988.db2.gz	KXFASHPMLSQLSD-LPYMAVHISA-N	-1	0	332.403	4.851	40	30		EJEBRM
O=C([O-])c1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1	ZINC000409209166	564011020	/nfs/dbraw/zinc/01/10/20/564011020.db2.gz	HKQGTZLUKOBNAB-HYARGMPZSA-N	-1	0	331.371	4.714	40	30		EJEBRM
O=C([O-])c1cc(-c2ccc(C=NNc3ccccc3)o2)ccc1Cl	ZINC000409219708	564011180	/nfs/dbraw/zinc/01/11/80/564011180.db2.gz	PFBUOTVCWBBZLN-RGVLZGJSSA-N	-1	0	340.766	4.744	40	30		EJEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccccc2)cc1	ZINC000059104361	564050450	/nfs/dbraw/zinc/05/04/50/564050450.db2.gz	WOBKHAAFHCKJCV-HYARGMPZSA-N	-1	0	331.371	4.714	40	30		EJEBRM
CC(C)(C)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000137649473	564130018	/nfs/dbraw/zinc/13/00/18/564130018.db2.gz	KDIFYRSKUIJKPO-VBHXFKECSA-N	-1	0	342.489	4.858	40	30		EJEBRM
N#Cc1ccc(-c2ccccc2)nc1S[C@H](C(=O)[O-])c1ccccc1	ZINC000000154674	209456235	/nfs/dbraw/zinc/45/62/35/209456235.db2.gz	DGTYVSCNPDMFQA-SFHVURJKSA-N	-1	0	346.411	4.538	40	30		EJEBRM
O=[N+]([O-])C(N=Nc1ccc(Cl)cc1)=N[N-]c1ccc(Cl)cc1	ZINC000104111219	204097154	/nfs/dbraw/zinc/09/71/54/204097154.db2.gz	GOKHYVPGRILSNA-MAFYCXDASA-N	-1	0	338.154	4.737	40	30		EJEBRM
CCOc1ccc([C@H](/C(Cl)=N\[O-])C(Cl)(Cl)Cl)cc1	ZINC000104132290	204097245	/nfs/dbraw/zinc/09/72/45/204097245.db2.gz	AYJXJPOOYRWSQH-PQDUMBNFSA-N	-1	0	331.026	4.566	40	30		EJEBRM
C=CCOc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004959434	210340434	/nfs/dbraw/zinc/34/04/34/210340434.db2.gz	SHVMYTQKYXOYAT-WAOWUJCRSA-N	-1	0	347.414	4.776	40	30		EJEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc(N(C)C)cc2)o1	ZINC000408959988	257885310	/nfs/dbraw/zinc/88/53/10/257885310.db2.gz	BMTUCHUEWYYBJP-XKZIYDEJSA-N	-1	0	348.402	4.770	40	30		EJEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(C#N)cc2)o1	ZINC000001097122	563374495	/nfs/dbraw/zinc/37/44/95/563374495.db2.gz	ZOGWEPABQIFDFF-WSDLNYQXSA-N	-1	0	330.343	4.576	40	30		EJEBRM
Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000408691543	563571604	/nfs/dbraw/zinc/57/16/04/563571604.db2.gz	DHPFVLQGKDJQIF-ZRDIBKRKSA-N	-1	0	332.355	4.849	40	30		EJEBRM
Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000408691822	563571677	/nfs/dbraw/zinc/57/16/77/563571677.db2.gz	RYKQPYVEFSTGQM-PKNBQFBNSA-N	-1	0	332.355	4.849	40	30		EJEBRM
CC(C)(C)c1ccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000408854557	564007672	/nfs/dbraw/zinc/00/76/72/564007672.db2.gz	IGFZZQKYNGVSHF-NHDPSOOVSA-N	-1	0	345.826	4.852	40	30		EJEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccccc2F)cc1	ZINC000408853486	564007697	/nfs/dbraw/zinc/00/76/97/564007697.db2.gz	UMYIERCJBSDVCP-QRVIBDJDSA-N	-1	0	349.361	4.854	40	30		EJEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1[O-]	ZINC000409095089	564009630	/nfs/dbraw/zinc/00/96/30/564009630.db2.gz	BHUWXJXKXRBOJS-DEDYPNTBSA-N	-1	0	334.331	4.843	40	30		EJEBRM
CC(C)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000033652781	564129870	/nfs/dbraw/zinc/12/98/70/564129870.db2.gz	HRZYTRMNHMKHEK-CQCSDLFSSA-N	-1	0	328.462	4.684	40	30		EJEBRM
CC(C)(C)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000033783259	564129889	/nfs/dbraw/zinc/12/98/89/564129889.db2.gz	KDIFYRSKUIJKPO-PETYQORKSA-N	-1	0	342.489	4.858	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1cccc(C)c1	ZINC000004712267	210256531	/nfs/dbraw/zinc/25/65/31/210256531.db2.gz	OHSWYFIZLROIJA-WSDLNYQXSA-N	-1	0	348.402	4.557	40	30		EJEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2cccc(F)c2)cc1	ZINC000059104378	257851019	/nfs/dbraw/zinc/85/10/19/257851019.db2.gz	NIKKBTAKEPTKLM-YDZHTSKRSA-N	-1	0	349.361	4.854	40	30		EJEBRM
C=C(C(=O)[O-])[C@@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000253389116	518585296	/nfs/dbraw/zinc/58/52/96/518585296.db2.gz	QVSFEOQJKPOOHP-BEACGEKWSA-N	-1	0	348.483	4.748	40	30	biogenic,in-vitro	EJEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1ccc(C)cc1	ZINC000408739083	563638756	/nfs/dbraw/zinc/63/87/56/563638756.db2.gz	STISRPIMCVVTCR-LPYMAVHISA-N	-1	0	332.403	4.851	40	30		EJEBRM
O=C([O-])c1cccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c1	ZINC000016524272	563814018	/nfs/dbraw/zinc/81/40/18/563814018.db2.gz	CGUMWJHNQHUQLW-WOJGMQOQSA-N	-1	0	348.379	4.974	40	30		EJEBRM
CC[C@@H](C)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000039557381	563900232	/nfs/dbraw/zinc/90/02/32/563900232.db2.gz	LEOSDOOFFWAIMR-XCGVQGCYSA-N	-1	0	325.408	4.803	40	30		EJEBRM
Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000408844452	564007541	/nfs/dbraw/zinc/00/75/41/564007541.db2.gz	JCPISZNSUJNJFC-UFWORHAWSA-N	-1	0	338.190	4.516	40	30		EJEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N\C2CCCCC2)cc1	ZINC000408959662	564008267	/nfs/dbraw/zinc/00/82/67/564008267.db2.gz	CSMYPAJKTCLMSJ-HMAPJEAMSA-N	-1	0	337.419	4.715	40	30		EJEBRM
CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000409010516	564008879	/nfs/dbraw/zinc/00/88/79/564008879.db2.gz	FGGKNEAZWITOIX-ZICWZVMQSA-N	-1	0	331.799	4.966	40	30		EJEBRM
CCOc1ccc(Cl)cc1/C=N\c1ccc(Cl)c(C(=O)[O-])c1	ZINC000409104685	564009824	/nfs/dbraw/zinc/00/98/24/564009824.db2.gz	DXZRSAFRTROXCN-OCKHKDLRSA-N	-1	0	338.190	4.841	40	30		EJEBRM
S=c1[n-]nc(-c2ccccc2)n1N=Cc1cccc2ccccc12	ZINC000254828026	564053704	/nfs/dbraw/zinc/05/37/04/564053704.db2.gz	DQCVZIVQRVKNNW-UHFFFAOYSA-N	-1	0	330.416	4.643	40	30		EJEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\c1ccc(Br)cn1	ZINC000103808924	219325011	/nfs/dbraw/zinc/32/50/11/219325011.db2.gz	LGWRBVZRBCAYKL-BNCCVWRVSA-N	-1	0	346.011	4.607	40	30		EJEBRM
COc1ccc(/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000408960487	257885314	/nfs/dbraw/zinc/88/53/14/257885314.db2.gz	MFDGXNFVPYLZCI-MTJSOVHGSA-N	-1	0	335.359	4.712	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(C)cc1	ZINC000408737534	257890008	/nfs/dbraw/zinc/89/00/08/257890008.db2.gz	CTVMGYPMQBMIEM-LPYMAVHISA-N	-1	0	332.403	4.851	40	30		EJEBRM
C=C(C(=O)[O-])[C@H]1C[C@H](OC(=O)C[C@@H](C)CC)[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000049180774	518585106	/nfs/dbraw/zinc/58/51/06/518585106.db2.gz	QVSFEOQJKPOOHP-VMRPOWQQSA-N	-1	0	348.483	4.748	40	30	biogenic,in-vitro	EJEBRM
C=C(C(=O)[O-])[C@H]1C[C@@H]2C(=C)CCC[C@]2(C)[C@@H](OC(=O)C[C@H](C)CC)C1	ZINC000253389119	518585183	/nfs/dbraw/zinc/58/51/83/518585183.db2.gz	QVSFEOQJKPOOHP-YOZCEPSOSA-N	-1	0	348.483	4.748	40	30	biogenic,in-vitro	EJEBRM
CCCCCCCCCCC=C1C(=O)C(=O)C(Cl)=C([O-])C1O	ZINC000001590624	519986197	/nfs/dbraw/zinc/98/61/97/519986197.db2.gz	QKIGHHVLUPYKKJ-UHFFFAOYSA-N	-1	0	328.836	4.880	40	30		EJEBRM
O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc(O)cc1[O-]	ZINC000004104789	527636950	/nfs/dbraw/zinc/63/69/50/527636950.db2.gz	AQCRXWQAFASVJA-JLHYYAGUSA-N	-1	0	346.382	4.573	40	30	biogenic,in-vitro	EJEBRM
CCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000006272969	563563691	/nfs/dbraw/zinc/56/36/91/563563691.db2.gz	WHRXOIAIPSQWSX-DJKKODMXSA-N	-1	0	337.206	4.798	40	30		EJEBRM
O=C([O-])c1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1	ZINC000016492952	563813629	/nfs/dbraw/zinc/81/36/29/563813629.db2.gz	DHFJLJTZNUMEOT-CCEZHUSRSA-N	-1	0	328.367	4.948	40	30		EJEBRM
CCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000028540197	563903274	/nfs/dbraw/zinc/90/32/74/563903274.db2.gz	RKQUHHNIJVGMIG-IBGZPJMESA-N	-1	0	347.499	4.719	40	30		EJEBRM
CSc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000254705382	563999459	/nfs/dbraw/zinc/99/94/59/563999459.db2.gz	XPAPDICCWRYZLL-UHFFFAOYSA-N	-1	0	332.498	4.592	40	30		EJEBRM
C=CCOc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004959436	564005515	/nfs/dbraw/zinc/00/55/15/564005515.db2.gz	SHVMYTQKYXOYAT-BBTUJRGHSA-N	-1	0	347.414	4.776	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1cccc(C)c1	ZINC000408765694	564006339	/nfs/dbraw/zinc/00/63/39/564006339.db2.gz	XGIVKQSFGCBSOU-LPYMAVHISA-N	-1	0	332.403	4.851	40	30		EJEBRM
Cc1ccc(Cl)cc1/N=C/c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409088426	564009715	/nfs/dbraw/zinc/00/97/15/564009715.db2.gz	LTPDTFUAVUCYKP-CIAFOILYSA-N	-1	0	338.794	4.888	40	30		EJEBRM
Cc1c(Cl)cccc1/N=C/c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409109189	564009993	/nfs/dbraw/zinc/00/99/93/564009993.db2.gz	ZIBDPEZDOOBEPB-CIAFOILYSA-N	-1	0	338.794	4.888	40	30		EJEBRM
CCCCCCCCCCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O	ZINC000105330143	564014161	/nfs/dbraw/zinc/01/41/61/564014161.db2.gz	COAVQEFBLHOZMS-GOSISDBHSA-N	-1	0	344.503	4.963	40	30		EJEBRM
CC(C)c1ccccc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000059302003	564050650	/nfs/dbraw/zinc/05/06/50/564050650.db2.gz	VFVBRBAAYZLQLO-KEBDBYFISA-N	-1	0	331.799	4.677	40	30		EJEBRM
[O-]c1c(Br)cc2ccccc2c1C=NNc1ccccc1	ZINC000006927523	564066383	/nfs/dbraw/zinc/06/63/83/564066383.db2.gz	XYOIYJNHYCHKRE-YBFXNURJSA-N	-1	0	341.208	4.754	40	30		EJEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2[C@H](C)CC)c1[O-]	ZINC000005907521	564129767	/nfs/dbraw/zinc/12/97/67/564129767.db2.gz	NSHVFHDPWOAVBL-HMHKGCENSA-N	-1	0	342.395	4.963	40	30		EJEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccc(C(F)(F)F)c2)c1[O-]	ZINC000003148192	564155506	/nfs/dbraw/zinc/15/55/06/564155506.db2.gz	GMDPBQBHYKMCPH-FBCYGCLPSA-N	-1	0	344.676	4.723	40	30		EJEBRM
O=C([O-])c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1	ZINC000100444310	219099394	/nfs/dbraw/zinc/09/93/94/219099394.db2.gz	XXVUNQINXPOGAT-YDZHTSKRSA-N	-1	0	342.398	4.656	40	30		EJEBRM
Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4O)cc3[O-])nc2c1	ZINC000101539405	219133076	/nfs/dbraw/zinc/13/30/76/219133076.db2.gz	PAQNFKFJXZNEMN-WSDLNYQXSA-N	-1	0	344.370	4.965	40	30		EJEBRM
CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000103864856	219327566	/nfs/dbraw/zinc/32/75/66/219327566.db2.gz	GCIUSDBJTTXWJO-OCKHKDLRSA-N	-1	0	340.206	4.779	40	30		EJEBRM
C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004959437	210340968	/nfs/dbraw/zinc/34/09/68/210340968.db2.gz	SHVMYTQKYXOYAT-WFXMLNOXSA-N	-1	0	347.414	4.776	40	30		EJEBRM
Cc1c(/C=N\c2cc(C(=O)[O-])ccc2Cl)c2ccccc2n1C	ZINC000408854153	257887558	/nfs/dbraw/zinc/88/75/58/257887558.db2.gz	YONWUAHDRFLCBA-JMIUGGIZSA-N	-1	0	326.783	4.589	40	30		EJEBRM
CC(C)c1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000059248013	257850888	/nfs/dbraw/zinc/85/08/88/257850888.db2.gz	BNOBFJHYYMSXRB-KEBDBYFISA-N	-1	0	331.799	4.677	40	30		EJEBRM
CC[C@@H](C)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000039557379	257854862	/nfs/dbraw/zinc/85/48/62/257854862.db2.gz	LEOSDOOFFWAIMR-ZMMWMTRVSA-N	-1	0	325.408	4.803	40	30		EJEBRM
C=C(C(=O)[O-])[C@H]1C[C@@H](OC(=O)C[C@@H](C)CC)[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000049180770	518585390	/nfs/dbraw/zinc/58/53/90/518585390.db2.gz	QVSFEOQJKPOOHP-LSJRZNPGSA-N	-1	0	348.483	4.748	40	30	biogenic,in-vitro	EJEBRM
CC(C)COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000408600997	563496548	/nfs/dbraw/zinc/49/65/48/563496548.db2.gz	IGSFNJODZVJEKJ-KEBDBYFISA-N	-1	0	346.814	4.519	40	30		EJEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1ccc(F)cc1	ZINC000408737820	563635301	/nfs/dbraw/zinc/63/53/01/563635301.db2.gz	HOQVRLGSKRWMKO-WSDLNYQXSA-N	-1	0	336.366	4.682	40	30		EJEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/Cc2ccccc2)cc1	ZINC000408961031	564008316	/nfs/dbraw/zinc/00/83/16/564008316.db2.gz	PZUIOCWQVMXGNJ-HZHRSRAPSA-N	-1	0	345.398	4.583	40	30		EJEBRM
CC[C@H](C)Oc1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1Cl	ZINC000409012801	564008914	/nfs/dbraw/zinc/00/89/14/564008914.db2.gz	KWLIGCHVULTSJX-DQAKUKQTSA-N	-1	0	331.799	4.966	40	30		EJEBRM
O=C([O-])c1cc(/N=C\c2ccc(N3CCCC3)c(F)c2)ccc1Cl	ZINC000409099551	564009919	/nfs/dbraw/zinc/00/99/19/564009919.db2.gz	OIBTVQFTZMNMRQ-NHDPSOOVSA-N	-1	0	346.789	4.528	40	30		EJEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1	ZINC000409214780	564011157	/nfs/dbraw/zinc/01/11/57/564011157.db2.gz	YTGQVLSMCOSYRP-HYARGMPZSA-N	-1	0	347.370	4.693	40	30		EJEBRM
Cc1cc(Br)c(O)c(/C=N/C23CC4CC(CC(C4)C2)C3)c1	ZINC000006500559	564014884	/nfs/dbraw/zinc/01/48/84/564014884.db2.gz	TYROFMCHRQNZHQ-KEBDBYFISA-N	-1	0	348.284	4.851	40	30		EJEBRM
O=C([O-])COc1ccc(/C=N\c2ccc3ccccc3c2)cc1Cl	ZINC000096479993	564051297	/nfs/dbraw/zinc/05/12/97/564051297.db2.gz	SNDKKJAOAQHXIW-NHDPSOOVSA-N	-1	0	339.778	4.707	40	30		EJEBRM
CCOc1ccc([C@H](/C(Cl)=N/[O-])C(Cl)(Cl)Cl)cc1	ZINC000104132291	204096754	/nfs/dbraw/zinc/09/67/54/204096754.db2.gz	AYJXJPOOYRWSQH-UIOUTNAGSA-N	-1	0	331.026	4.566	40	30		EJEBRM
Cc1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000409246477	257873510	/nfs/dbraw/zinc/87/35/10/257873510.db2.gz	BUQBUNZWCOUBAM-CIAFOILYSA-N	-1	0	338.794	4.888	40	30		EJEBRM
O=C([O-])c1ccc(Cn2cc(/C=N/c3ccccc3)c3ccccc32)o1	ZINC000408544913	563445231	/nfs/dbraw/zinc/44/52/31/563445231.db2.gz	WADDDKLXIHIREP-WSDLNYQXSA-N	-1	0	344.370	4.731	40	30		EJEBRM
O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1[O-]	ZINC000008376900	563628344	/nfs/dbraw/zinc/62/83/44/563628344.db2.gz	CJHMCHFFEAPUBJ-FBCYGCLPSA-N	-1	0	344.676	4.723	40	30		EJEBRM
CC[C@H](C)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000039557382	563900211	/nfs/dbraw/zinc/90/02/11/563900211.db2.gz	LEOSDOOFFWAIMR-ZAXZPUGQSA-N	-1	0	325.408	4.803	40	30		EJEBRM
CC(=O)c1ccc(-c2ccc(C=Nc3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000408915797	564008016	/nfs/dbraw/zinc/00/80/16/564008016.db2.gz	YZIWXDBSFOGPIM-CIAFOILYSA-N	-1	0	333.343	4.598	40	30		EJEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(N3CCCC3)c(F)c2)c1	ZINC000409068341	564009408	/nfs/dbraw/zinc/00/94/08/564009408.db2.gz	SEDMKMLAYYFVMY-SRZZPIQSSA-N	-1	0	346.789	4.528	40	30		EJEBRM
O=C([O-])COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1	ZINC000409210665	564011091	/nfs/dbraw/zinc/01/10/91/564011091.db2.gz	JYXCLKRAHWVXOL-HYARGMPZSA-N	-1	0	347.370	4.693	40	30		EJEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cccn1-c1ccc(Cl)cc1	ZINC000059679559	564050956	/nfs/dbraw/zinc/05/09/56/564050956.db2.gz	WQYGBMZUBCAPQS-CIAFOILYSA-N	-1	0	338.794	4.888	40	30		EJEBRM
CCOc1ccc([C@@H](/C(Cl)=N/[O-])C(Cl)(Cl)Cl)cc1	ZINC000104132287	219349402	/nfs/dbraw/zinc/34/94/02/219349402.db2.gz	AYJXJPOOYRWSQH-MYMQZEFKSA-N	-1	0	331.026	4.566	40	30		EJEBRM
CCCCCCCCCCCCCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000028539039	212623538	/nfs/dbraw/zinc/62/35/38/212623538.db2.gz	XGYJHOKDLDLGLP-SFHVURJKSA-N	-1	0	327.509	4.913	40	30		EJEBRM
Cc1ccc(C(=O)[O-])cc1/N=C/c1cccn1-c1ccc(Cl)cc1	ZINC000059678299	257849801	/nfs/dbraw/zinc/84/98/01/257849801.db2.gz	SFLKJBRQADJJDY-CIAFOILYSA-N	-1	0	338.794	4.888	40	30		EJEBRM
CC(C)c1ccc(NN=C(CCCCC(=O)[O-])c2ccccn2)cc1	ZINC000016756839	519836643	/nfs/dbraw/zinc/83/66/43/519836643.db2.gz	KXIYKWBXOJJCMI-FCDQGJHFSA-N	-1	0	339.439	4.666	40	30		EJEBRM
O=C([O-])c1ccc(/N=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000017328331	563843097	/nfs/dbraw/zinc/84/30/97/563843097.db2.gz	PCESDWWIFVPSOX-HMAPJEAMSA-N	-1	0	329.355	4.637	40	30		EJEBRM
CCOC(=O)c1ccc(/N=C\c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000017424848	563844325	/nfs/dbraw/zinc/84/43/25/563844325.db2.gz	OMIYGSQXMPMWIY-OCKHKDLRSA-N	-1	0	338.190	4.626	40	30		EJEBRM
CC(=O)c1cccc(-c2ccc(C=Nc3ccc(C(=O)[O-])cc3)o2)c1	ZINC000408915516	564008014	/nfs/dbraw/zinc/00/80/14/564008014.db2.gz	WUTNGDLOYMLWJW-CIAFOILYSA-N	-1	0	333.343	4.598	40	30		EJEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1[O-]	ZINC000408962852	564008341	/nfs/dbraw/zinc/00/83/41/564008341.db2.gz	KHEQGAFLKFEZNZ-DEDYPNTBSA-N	-1	0	333.347	4.795	40	30		EJEBRM
Cc1cccc(/N=C/c2c(OCC(=O)[O-])ccc3ccccc32)c1C	ZINC000409213799	564011129	/nfs/dbraw/zinc/01/11/29/564011129.db2.gz	UPLNDCMKPUCDTP-WSDLNYQXSA-N	-1	0	333.387	4.671	40	30		EJEBRM
O=C([O-])c1ccc(COc2cccc(/C=N\c3ccccc3)c2)cc1	ZINC000409217881	564011187	/nfs/dbraw/zinc/01/11/87/564011187.db2.gz	XYUVQDGZVKNOCE-HMAPJEAMSA-N	-1	0	331.371	4.714	40	30		EJEBRM
Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000409246672	564011301	/nfs/dbraw/zinc/01/13/01/564011301.db2.gz	ADUNADMTGGZANT-CIAFOILYSA-N	-1	0	338.794	4.888	40	30		EJEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccco3)sc2C1	ZINC000005901904	564014307	/nfs/dbraw/zinc/01/43/07/564014307.db2.gz	VGGAFJPLVRJOMV-LLVKDONJSA-N	-1	0	328.437	4.616	40	30		EJEBRM
O=C([O-])c1ccccc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1	ZINC000016450581	564024630	/nfs/dbraw/zinc/02/46/30/564024630.db2.gz	WQHCWYNOXGTKKS-WOJGMQOQSA-N	-1	0	348.379	4.974	40	30		EJEBRM
Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000059249894	564050569	/nfs/dbraw/zinc/05/05/69/564050569.db2.gz	IMZFUGYYVJJUCT-UFWORHAWSA-N	-1	0	338.190	4.516	40	30		EJEBRM
COc1ccc(C(=O)/C=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000007939548	564129843	/nfs/dbraw/zinc/12/98/43/564129843.db2.gz	IZCVDKMWUAKWTR-PKNBQFBNSA-N	-1	0	348.354	4.550	40	30		EJEBRM
N=C1SC(=Cc2cccc3ccccc23)C([O-])=C1c1nccs1	ZINC000033382773	564129903	/nfs/dbraw/zinc/12/99/03/564129903.db2.gz	XKVKRJWQAYJOHA-OGFIELIUSA-N	-1	0	336.441	4.714	40	30		EJEBRM
[O-]c1ccc(/N=C/c2ccc(O)cc2)cc1-c1nc2ccccc2o1	ZINC000003114486	564155236	/nfs/dbraw/zinc/15/52/36/564155236.db2.gz	GUNJCFKRPUEWSK-CIAFOILYSA-N	-1	0	330.343	4.657	40	30		EJEBRM
CCCCCCCCCCCCNC(=S)SCCC(=O)[O-]	ZINC000104358898	219378682	/nfs/dbraw/zinc/37/86/82/219378682.db2.gz	JZGXHXBFKQVVSM-UHFFFAOYSA-N	-1	0	333.563	4.990	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(Cl)cc2Cl)c([O-])c([N+](=O)[O-])c1	ZINC000003153324	201557940	/nfs/dbraw/zinc/55/79/40/201557940.db2.gz	WPZJZZYKNBLPFX-REZTVBANSA-N	-1	0	325.151	4.666	40	30		EJEBRM
Cc1ccc(-n2cccc2/C=N/c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000409016273	257882421	/nfs/dbraw/zinc/88/24/21/257882421.db2.gz	SZAJLASBHQQKIP-CIAFOILYSA-N	-1	0	338.794	4.888	40	30		EJEBRM
CC(=O)c1cccc(N=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000408959671	257885398	/nfs/dbraw/zinc/88/53/98/257885398.db2.gz	CWDQEHKYXJNWQL-WSDLNYQXSA-N	-1	0	347.370	4.906	40	30		EJEBRM
Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408962535	257885420	/nfs/dbraw/zinc/88/54/20/257885420.db2.gz	YYTWBTBOZMSBEA-MTJSOVHGSA-N	-1	0	342.826	4.697	40	30		EJEBRM
COc1cc([O-])c(C(=O)/C=C/c2ccc(O)cc2)cc1CC=C(C)C	ZINC000019816069	258057342	/nfs/dbraw/zinc/05/73/42/258057342.db2.gz	ZUGCRBMNFSAUOC-YRNVUSSQSA-N	-1	0	338.403	4.511	40	30	biogenic,in-vivo	EJEBRM
COc1ccc(/N=C\c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1	ZINC000409217894	262505026	/nfs/dbraw/zinc/50/50/26/262505026.db2.gz	YEZGHYVSJBQXII-XKZIYDEJSA-N	-1	0	348.402	4.552	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccc(C)cc1	ZINC000408739442	563639479	/nfs/dbraw/zinc/63/94/79/563639479.db2.gz	WFPFTOCOASMSGF-WSDLNYQXSA-N	-1	0	348.402	4.557	40	30		EJEBRM
CCCCC[C@H](O)/C=C\C1=C(CCCCCCC(=O)[O-])C(=O)CC1	ZINC000013538413	563700485	/nfs/dbraw/zinc/70/04/85/563700485.db2.gz	YBHMPNRDOVPQIN-AINHQSCGSA-N	-1	0	336.472	4.569	40	30		EJEBRM
O=[N+]([O-])C(N=Nc1ccc(Cl)cc1)=N[N-]c1ccc(Cl)cc1	ZINC000016927976	563825985	/nfs/dbraw/zinc/82/59/85/563825985.db2.gz	GOKHYVPGRILSNA-KXTSXHOFSA-N	-1	0	338.154	4.737	40	30		EJEBRM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)C)cc2)cc1	ZINC000254379913	563999421	/nfs/dbraw/zinc/99/94/21/563999421.db2.gz	YVPIYJSVGQNMID-UHFFFAOYSA-N	-1	0	336.464	4.922	40	30		EJEBRM
CC(C)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000137363109	564000251	/nfs/dbraw/zinc/00/02/51/564000251.db2.gz	HRZYTRMNHMKHEK-WDLRCHCKSA-N	-1	0	328.462	4.684	40	30		EJEBRM
O=C([O-])c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1Cl	ZINC000408856164	564007704	/nfs/dbraw/zinc/00/77/04/564007704.db2.gz	ISQQXUFLQFZYSE-BKUYFWCQSA-N	-1	0	342.826	4.779	40	30		EJEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccccc1F	ZINC000408912454	564007971	/nfs/dbraw/zinc/00/79/71/564007971.db2.gz	GKRDNIXYBJWJIW-WSDLNYQXSA-N	-1	0	336.366	4.682	40	30		EJEBRM
COc1cccc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c1OC(C)C	ZINC000409009209	564008884	/nfs/dbraw/zinc/00/88/84/564008884.db2.gz	BZYZGHPVAZVZSQ-KEBDBYFISA-N	-1	0	347.798	4.585	40	30		EJEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1[O-]	ZINC000409100553	564009936	/nfs/dbraw/zinc/00/99/36/564009936.db2.gz	USBCVMUNZOLVDL-DEDYPNTBSA-N	-1	0	333.347	4.795	40	30		EJEBRM
C[C@H](Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1)C(=O)[O-]	ZINC000059248983	564050539	/nfs/dbraw/zinc/05/05/39/564050539.db2.gz	FIFJOAKCJFZMFP-OVNPTBDBSA-N	-1	0	338.190	4.596	40	30		EJEBRM
C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000222369682	564053319	/nfs/dbraw/zinc/05/33/19/564053319.db2.gz	SHVMYTQKYXOYAT-LQWHRVPQSA-N	-1	0	347.414	4.776	40	30		EJEBRM
CCOc1ccc([C@@H](/C(Cl)=N\[O-])C(Cl)(Cl)Cl)cc1	ZINC000104132285	219349537	/nfs/dbraw/zinc/34/95/37/219349537.db2.gz	AYJXJPOOYRWSQH-RKMZRFOKSA-N	-1	0	331.026	4.566	40	30		EJEBRM
C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000005763280	210531637	/nfs/dbraw/zinc/53/16/37/210531637.db2.gz	QETBTXOVEBTJQH-WAMTXRNCSA-N	-1	0	344.495	4.855	40	30	in-vitro	EJEBRM
C=CCOc1ccccc1[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000004959429	210340758	/nfs/dbraw/zinc/34/07/58/210340758.db2.gz	WCIRIGFPEWGCHY-MRUHUIDDSA-N	-1	0	347.414	4.776	40	30		EJEBRM
C=CCOc1ccccc1[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000004959432	210340034	/nfs/dbraw/zinc/34/00/34/210340034.db2.gz	WCIRIGFPEWGCHY-QYWGDWMGSA-N	-1	0	347.414	4.776	40	30		EJEBRM
Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408856148	257887031	/nfs/dbraw/zinc/88/70/31/257887031.db2.gz	PLRBPYVQNDENFN-KEBDBYFISA-N	-1	0	342.782	4.789	40	30		EJEBRM
CC[C@H](C)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000039557380	257854876	/nfs/dbraw/zinc/85/48/76/257854876.db2.gz	LEOSDOOFFWAIMR-HLACBESGSA-N	-1	0	325.408	4.803	40	30		EJEBRM
Cc1c(/C=N\c2ccc(C(=O)[O-])c(Cl)c2)c2ccccc2n1C	ZINC000408844154	564007530	/nfs/dbraw/zinc/00/75/30/564007530.db2.gz	HDBXJUNVEQNATD-JMIUGGIZSA-N	-1	0	326.783	4.589	40	30		EJEBRM
C[C@H](Oc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)C(=O)[O-]	ZINC000408851596	564007660	/nfs/dbraw/zinc/00/76/60/564007660.db2.gz	LNRREZRDBPOOHE-OVNPTBDBSA-N	-1	0	338.190	4.596	40	30		EJEBRM
Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408913149	564008007	/nfs/dbraw/zinc/00/80/07/564008007.db2.gz	LFOIYAVLRQLZGJ-LPYMAVHISA-N	-1	0	332.403	4.851	40	30		EJEBRM
Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408943780	564008222	/nfs/dbraw/zinc/00/82/22/564008222.db2.gz	MAYPMDNIANMPLV-KEBDBYFISA-N	-1	0	342.782	4.789	40	30		EJEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(F)cc2F)o1	ZINC000408959791	564008277	/nfs/dbraw/zinc/00/82/77/564008277.db2.gz	GAGCFVRRORKNCG-LSHDLFTRSA-N	-1	0	341.313	4.982	40	30		EJEBRM
Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)[O-])cc1Cl	ZINC000409217568	564011186	/nfs/dbraw/zinc/01/11/86/564011186.db2.gz	QDRWNMWVOOTOFD-UFWORHAWSA-N	-1	0	338.190	4.516	40	30		EJEBRM
Cc1cc(Br)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O	ZINC000006500867	564014859	/nfs/dbraw/zinc/01/48/59/564014859.db2.gz	KMQOTMCKCKOKEC-KEBDBYFISA-N	-1	0	348.284	4.851	40	30		EJEBRM
C=CCc1ccc2ccc(/C=C/c3ccc(C(=O)[O-])cc3)nc2c1O	ZINC000008036191	564072212	/nfs/dbraw/zinc/07/22/12/564072212.db2.gz	UYUWQYWEFAPNDK-WUXMJOGZSA-N	-1	0	331.371	4.538	40	30		EJEBRM