smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)c2cccnc21	ZINC000026503024	202144294	/nfs/dbraw/zinc/14/42/94/202144294.db2.gz	LDSVXHNPMQGREU-UHFFFAOYSA-N	0	0	334.253	3.355	1	30		EGEFRN
N#C[C@H]1C(=O)NC2=C(CCc3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000026666361	202146381	/nfs/dbraw/zinc/14/63/81/202146381.db2.gz	XKSNMCMXEVQOCT-QZTJIDSGSA-N	0	0	345.358	3.305	1	30		EGEFRN
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C	ZINC000027327882	202153872	/nfs/dbraw/zinc/15/38/72/202153872.db2.gz	MCHBEHPBWGBBDV-OTYXRUKQSA-N	0	0	343.301	3.279	1	30		EGEFRN
CC[S@@](=O)C[C@](C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000028817152	202177958	/nfs/dbraw/zinc/17/79/58/202177958.db2.gz	XSFXZQHWOJPQKB-PSLXWICFSA-N	0	0	344.358	3.034	1	30		EGEFRN
C/C(=C\CC[C@@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3)CO	ZINC000085645390	201369324	/nfs/dbraw/zinc/36/93/24/201369324.db2.gz	KOATXBNOVXBDJE-HCDUGCIISA-N	0	0	346.467	3.445	1	30		EGEFRN
O=C1N/C(=N\c2ccccc2[N+](=O)[O-])S/C1=C\c1ccc(O)cc1	ZINC000103219927	204068115	/nfs/dbraw/zinc/06/81/15/204068115.db2.gz	RYXDFGDIKTWQLT-ZROIWOOFSA-N	0	0	341.348	3.192	1	30		EGEFRN
COc1ccc(CN=Nc2cnc3ccccc3n2)c(Cl)c1O	ZINC000103258034	204070865	/nfs/dbraw/zinc/07/08/65/204070865.db2.gz	PNMCSRMZVNOFKW-UFWORHAWSA-N	0	0	328.759	3.443	1	30		EGEFRN
C=C1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/CCOC1=O	ZINC000038493157	560086127	/nfs/dbraw/zinc/08/61/27/560086127.db2.gz	LAIHLMZBILKPIA-RDKVWBOASA-N	0	0	332.440	3.198	1	30	biogenic,in-vitro	EGEFRN
COc1ccc2c(c1)OC/C(=C/c1ccc(OC)c(OC)c1)C2=O	ZINC000003984036	560193064	/nfs/dbraw/zinc/19/30/64/560193064.db2.gz	YKRAQIAZPKGEIC-JYRVWZFOSA-N	0	0	326.348	3.371	1	30	in-vitro	EGEFRN
CNC(=S)N/N=C\c1cn(Cc2ccc(C)cc2)c2ccccc12	ZINC000015974173	201968718	/nfs/dbraw/zinc/96/87/18/201968718.db2.gz	ATMMWZRIJACQRN-NHDPSOOVSA-N	0	0	336.464	3.426	1	30		EGEFRN
C#CC(C)(C)NC(=O)c1sc(C)nc1-c1ccc(OC)c(OC)c1	ZINC000103169072	219265198	/nfs/dbraw/zinc/26/51/98/219265198.db2.gz	AGNCGMPRFSAYCN-UHFFFAOYSA-N	0	0	344.436	3.277	1	30		EGEFRN
C=C1[C@H](/C=C/C2=CC(=O)O[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H]1O	ZINC000073162260	216358717	/nfs/dbraw/zinc/35/87/17/216358717.db2.gz	GHNHHZAECXQMOM-VUHAHUEDSA-N	0	0	332.440	3.114	1	30		EGEFRN
Cc1ccc(/C(=N\NC(N)=S)c2cccc(Br)c2)cc1	ZINC000045337409	202550343	/nfs/dbraw/zinc/55/03/43/202550343.db2.gz	IOXFIFMULNCUSH-NBVRZTHBSA-N	0	0	348.269	3.343	1	30	in-vivo	EGEFRN
CC1=C2C[C@](C(=O)Nc3ccc(Br)cc3)(C=CC2=O)C1	ZINC000053229662	202655839	/nfs/dbraw/zinc/65/58/39/202655839.db2.gz	GUZMNDVJDOGGIC-CJNGLKHVSA-N	0	0	332.197	3.479	1	30		EGEFRN
CC(C)c1ccc(Oc2ncccc2/C(=N/O)N2CCOCC2)cc1	ZINC000072182636	203182147	/nfs/dbraw/zinc/18/21/47/203182147.db2.gz	QZZJHWAIDVNJID-UZYVYHOESA-N	0	0	341.411	3.465	1	30		EGEFRN
CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)C[C@H](C)O[C@]431)C2=O	ZINC000073278529	203263162	/nfs/dbraw/zinc/26/31/62/203263162.db2.gz	REMHECGSDXLQKX-FYSNHHCBSA-N	0	0	330.424	3.152	1	30		EGEFRN
O=C(CO/N=C\c1ccccc1OC(F)F)NCc1cccs1	ZINC000012486148	526904808	/nfs/dbraw/zinc/90/48/08/526904808.db2.gz	VSICFUVRFHDXRY-UWVJOHFNSA-N	0	0	340.351	3.016	1	30		EGEFRN
CCCC1=NN[C@@](C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000028710448	202174866	/nfs/dbraw/zinc/17/48/66/202174866.db2.gz	JYMBBNZVFWBYEZ-OAHLLOKOSA-N	0	0	338.333	3.424	1	30		EGEFRN
C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)OC	ZINC000072104331	216008790	/nfs/dbraw/zinc/00/87/90/216008790.db2.gz	KJHMKRHEJWSQIB-SFVKERMGSA-N	0	0	347.411	3.404	1	30		EGEFRN
CCCCCCCc1ccc(C(=O)O[C@@H]2CC(=O)O[C@H]2CO)cc1	ZINC000034799950	202277242	/nfs/dbraw/zinc/27/72/42/202277242.db2.gz	NCGVPHNVLGONPY-SJORKVTESA-N	0	0	334.412	3.033	1	30		EGEFRN
C=CCN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C1=O	ZINC000026572552	212526669	/nfs/dbraw/zinc/52/66/69/212526669.db2.gz	WIOFCDPOPOOQNI-HUUCEWRRSA-N	0	0	328.412	3.243	1	30		EGEFRN
C[C@]1(C(=O)Nc2cccc(C#N)c2)CCN1C(=O)CCc1ccccc1	ZINC000061930172	202793085	/nfs/dbraw/zinc/79/30/85/202793085.db2.gz	CGYVWXLOAPJZGP-OAQYLSRUSA-N	0	0	347.418	3.121	3	30		EGEFRN
COc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccc(OC)c(O)c1)O2	ZINC000072108133	203163030	/nfs/dbraw/zinc/16/30/30/203163030.db2.gz	YUECETOWCFGWQI-APSNUPSMSA-N	0	0	328.320	3.034	1	30	in-vitro	EGEFRN
O=C1N/C(=N\c2nccs2)S/C1=C\c1ccc([N+](=O)[O-])s1	ZINC000098084965	203983627	/nfs/dbraw/zinc/98/36/27/203983627.db2.gz	LNQGQYZKMOKKDG-ALCCZGGFSA-N	0	0	338.395	3.004	1	30		EGEFRN
C[C@]1([C@H](O)CO)CC[C@]2(C)[C@H]3CCC(O)=C(C=O)[C@@]3(C)CC[C@H]2C1	ZINC000102401034	204037467	/nfs/dbraw/zinc/03/74/67/204037467.db2.gz	VEHQOXOBKPFBHP-YNZVXGTDSA-N	0	0	336.472	3.373	1	30		EGEFRN
C[C@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NO	ZINC000103176986	204065089	/nfs/dbraw/zinc/06/50/89/204065089.db2.gz	YNKQCIFRPIJGEK-QMMMGPOBSA-N	0	0	343.166	3.453	1	30		EGEFRN
NC1=C(C(=O)c2ccccc2)[C@@H](c2cccnc2)c2ccc(O)cc2O1	ZINC000103253042	204069527	/nfs/dbraw/zinc/06/95/27/204069527.db2.gz	CYJMARWTOIZZRP-SFHVURJKSA-N	0	0	344.370	3.365	1	30		EGEFRN
C=C1C(=O)O[C@H]2CC(=C)C(=O)CC/C(C)=C\[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000169369412	206553353	/nfs/dbraw/zinc/55/33/53/206553353.db2.gz	WCTVCSTUKQFAEX-QEXYWXBQSA-N	0	0	344.407	3.218	1	30		EGEFRN
COc1cccc(/C=N/C[C@@H](C)/N=C/c2cccc(OC)c2O)c1O	ZINC000005560077	525770749	/nfs/dbraw/zinc/77/07/49/525770749.db2.gz	VNNXSKFCDCTSTJ-ILMSPDFFSA-N	0	0	342.395	3.042	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C[C@H]12	ZINC000169292845	526891879	/nfs/dbraw/zinc/89/18/79/526891879.db2.gz	HZAPTPBMBOIGCM-OKJJGNMPSA-N	0	0	334.456	3.443	1	30		EGEFRN
C=C1C(=O)O[C@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000100780438	571833296	/nfs/dbraw/zinc/83/32/96/571833296.db2.gz	FKDIIXZIKCNXAT-OLUWTDHWSA-N	0	0	344.407	3.218	1	30	endogenous,in-man	EGEFRN
N#Cc1ccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1	ZINC000013677142	201907497	/nfs/dbraw/zinc/90/74/97/201907497.db2.gz	NGZAMGJPVCXVAA-UHFFFAOYSA-N	0	0	332.359	3.168	1	30		EGEFRN
N#Cc1ccc([C@H](c2coc3ccccc3c2=O)n2ccnc2)cc1	ZINC000013675773	201908461	/nfs/dbraw/zinc/90/84/61/201908461.db2.gz	ZYDFLNTVLZWITD-LJQANCHMSA-N	0	0	327.343	3.499	1	30		EGEFRN
C=CCN1c2cc(F)ccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F	ZINC000003963046	210095576	/nfs/dbraw/zinc/09/55/76/210095576.db2.gz	TXQUTOBSQIXUSA-MRXNPFEDSA-N	0	0	338.304	3.485	1	30		EGEFRN
N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1	ZINC000028645187	202173483	/nfs/dbraw/zinc/17/34/83/202173483.db2.gz	NXCTZWROGMLVKP-UHFFFAOYSA-N	0	0	341.334	3.204	1	30		EGEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1C	ZINC000029566625	202189225	/nfs/dbraw/zinc/18/92/25/202189225.db2.gz	LBXOJPHXVYLGAL-YMTOWFKASA-N	0	0	338.201	3.143	1	30		EGEFRN
CCOc1ccc(Oc2ncc(C#C[C@H](C)NC(C)=O)s2)cc1	ZINC000034985728	213003699	/nfs/dbraw/zinc/00/36/99/213003699.db2.gz	MMIUJCZQUWEPNG-LBPRGKRZSA-N	0	0	330.409	3.210	1	30		EGEFRN
COc1ccc2c(c1OC)C(=O)C1=C(O[C@@H](C(C)=C(C)C)C1)C2=O	ZINC000040424748	202439028	/nfs/dbraw/zinc/43/90/28/202439028.db2.gz	YPDFXXZXSVVVMV-CQSZACIVSA-N	0	0	328.364	3.482	1	30		EGEFRN
COC1=CC(=O)c2cc3c(cc2C1=O)[C@]1(C)CCCc2coc(c21)C3=O	ZINC000013603679	201057928	/nfs/dbraw/zinc/05/79/28/201057928.db2.gz	RXKXFLSPTKPVON-NRFANRHFSA-N	0	0	348.354	3.376	1	30		EGEFRN
C=CCO[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1	ZINC000073162133	216358101	/nfs/dbraw/zinc/35/81/01/216358101.db2.gz	SXDQWHVPWOGIRC-CHWSQXEVSA-N	0	0	325.206	3.330	1	30		EGEFRN
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCF	ZINC000000020142	201423775	/nfs/dbraw/zinc/42/37/75/201423775.db2.gz	LBFMYTOPBBCRRF-UHFFFAOYSA-N	0	0	343.280	3.094	1	30		EGEFRN
Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3C)c(=O)c2C#N)cc1	ZINC000061944464	202792886	/nfs/dbraw/zinc/79/28/86/202792886.db2.gz	SHYQXSJAYMEIPR-UHFFFAOYSA-N	0	0	340.386	3.447	3	30		EGEFRN
C[C@@]1(C(=O)Nc2cccc(C#N)c2)CCN1C(=O)CCc1ccccc1	ZINC000061930173	202793185	/nfs/dbraw/zinc/79/31/85/202793185.db2.gz	CGYVWXLOAPJZGP-NRFANRHFSA-N	0	0	347.418	3.121	3	30		EGEFRN
CCN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O	ZINC000072120097	203164187	/nfs/dbraw/zinc/16/41/87/203164187.db2.gz	HIUHLZADQOFGBE-ZDUSSCGKSA-N	0	0	326.318	3.213	1	30		EGEFRN
COc1ccc2c(c1)c1c(c(=O)[nH]nc1C)n2Cc1ccc(C#N)cc1	ZINC000084740930	203537906	/nfs/dbraw/zinc/53/79/06/203537906.db2.gz	XDUQZNNLJAJYJR-UHFFFAOYSA-N	0	0	344.374	3.115	1	30		EGEFRN
CC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1	ZINC000095604547	203766432	/nfs/dbraw/zinc/76/64/32/203766432.db2.gz	WYLOJAYZCULHLF-IBGZPJMESA-N	0	0	341.432	3.338	3	30		EGEFRN
CCC1=NC(N/N=C/c2ccccc2O)=N/C1=C\c1ccccc1O	ZINC000102982150	204057957	/nfs/dbraw/zinc/05/79/57/204057957.db2.gz	WUELVZCJQURQGP-ULQIOQDBSA-N	0	0	334.379	3.283	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12	ZINC000169299953	526891799	/nfs/dbraw/zinc/89/17/99/526891799.db2.gz	PRUIDJLINDRLON-NFSVEDROSA-N	0	0	332.440	3.461	1	30		EGEFRN
C=C[C@@](C)(O)CC/C=C(\C)[C@@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O	ZINC000085760056	560066878	/nfs/dbraw/zinc/06/68/78/560066878.db2.gz	HRCVDYKTTYCITA-QBPVHFAYSA-N	0	0	338.444	3.480	1	30	biogenic,in-vitro	EGEFRN
C=C(C)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=S)CCC2	ZINC000004144449	210132021	/nfs/dbraw/zinc/13/20/21/210132021.db2.gz	BOFFLAGFLWBGHB-UHFFFAOYSA-N	0	0	341.436	3.154	3	30		EGEFRN
N=C(Nc1nc(-c2ccccn2)cc2ccccc21)c1ncccn1	ZINC000027554345	202156294	/nfs/dbraw/zinc/15/62/94/202156294.db2.gz	TYZFLLSZKCLELZ-UHFFFAOYSA-N	0	0	326.363	3.124	1	30		EGEFRN
C[C@H](NNC(=S)N1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc21	ZINC000027983488	202162322	/nfs/dbraw/zinc/16/23/22/202162322.db2.gz	BLJOMYNVSNUVKA-MCIONIFRSA-N	0	0	344.484	3.195	1	30		EGEFRN
COc1ccc(S(=O)(=O)[C@@H](CCS)Cc2ccccc2)cc1	ZINC000028017249	202163870	/nfs/dbraw/zinc/16/38/70/202163870.db2.gz	KMLHPTCEMLILLL-KRWDZBQOSA-N	0	0	336.478	3.400	1	30		EGEFRN
O=C1c2cc(CO)sc2C(=O)C(Cl)=C1Nc1ccc(F)cc1	ZINC000028520486	202171540	/nfs/dbraw/zinc/17/15/40/202171540.db2.gz	SQZSRKLAXOYGTN-UHFFFAOYSA-N	0	0	337.759	3.321	1	30		EGEFRN
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C#N)cc4)cc3c21	ZINC000028902160	202178998	/nfs/dbraw/zinc/17/89/98/202178998.db2.gz	ULPNRSRCEALLQP-LLVKDONJSA-N	0	0	344.374	3.139	1	30		EGEFRN
COC(=O)[C@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1	ZINC000033913690	202271261	/nfs/dbraw/zinc/27/12/61/202271261.db2.gz	MVBWBQNHPLNREC-QKKBWIMNSA-N	0	0	339.435	3.147	1	30		EGEFRN
C=C1CC[C@@H]2CCC3=C([C@@](O)(C/C(C)=C/[C@@H](O)C1)OC3=O)C2(C)C	ZINC000039350759	201087772	/nfs/dbraw/zinc/08/77/72/201087772.db2.gz	NAXRGDYBDAKNAZ-HZDNEDPBSA-N	0	0	332.440	3.402	1	30		EGEFRN
CCCCCCCC(=O)NCC(O)CNC(=O)CCCCCCC	ZINC000073391073	203265555	/nfs/dbraw/zinc/26/55/55/203265555.db2.gz	LYMNDWKZMXKZHF-UHFFFAOYSA-N	0	0	342.524	3.301	1	30		EGEFRN
CO/N=C/CCC(F)(F)c1ccc([C@@H](C)[S@](C)(=O)=NC#N)cn1	ZINC000103199361	204066224	/nfs/dbraw/zinc/06/62/24/204066224.db2.gz	ZEFPWRSXVTWVRD-OUOPARBASA-N	0	0	344.387	3.226	1	30		EGEFRN
C=CCOC(=O)C1=C[C@H](C(C)(C)C)[C@@H](CCCO)[C@H](OCC)O1	ZINC000012482749	211392224	/nfs/dbraw/zinc/39/22/24/211392224.db2.gz	LKAVYBCCIVHXNN-JKIFEVAISA-N	0	0	326.433	3.043	3	30		EGEFRN
C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000104370397	571842902	/nfs/dbraw/zinc/84/29/02/571842902.db2.gz	FKDIIXZIKCNXAT-OYSNTRGESA-N	0	0	344.407	3.218	1	30	endogenous,in-man	EGEFRN
CCCCCOc1ncccc1[C@H](O)CC#CCCCC(=O)OC	ZINC000028526497	581097057	/nfs/dbraw/zinc/09/70/57/581097057.db2.gz	YEVFWPNBOURHOL-QGZVFWFLSA-N	0	0	333.428	3.421	1	30		EGEFRN
c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@@H]1C[C@@H]21	ZINC000027078914	202151857	/nfs/dbraw/zinc/15/18/57/202151857.db2.gz	DIPXECUEJUTKMY-SFTDATJTSA-N	0	0	332.447	3.441	1	30		EGEFRN
COc1cc2c(c(N)c1O)C/C(=C\c1cc(C)c(O)c(C)c1)C2=O	ZINC000027552730	202156176	/nfs/dbraw/zinc/15/61/76/202156176.db2.gz	KDYFCFBXKAULGX-WUXMJOGZSA-N	0	0	325.364	3.128	1	30		EGEFRN
N#Cc1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1ccccc1	ZINC000028702105	202175650	/nfs/dbraw/zinc/17/56/50/202175650.db2.gz	UZZWRMRXHXBXPU-QGZVFWFLSA-N	0	0	347.378	3.132	1	30		EGEFRN
CCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21	ZINC000036375151	202323662	/nfs/dbraw/zinc/32/36/62/202323662.db2.gz	KLSHPXPMJUGIDY-JLHYYAGUSA-N	0	0	335.407	3.360	1	30		EGEFRN
CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(O)c2)NC(=S)N1C	ZINC000036479167	202326390	/nfs/dbraw/zinc/32/63/90/202326390.db2.gz	JGBBILLMZPWNFU-KRWDZBQOSA-N	0	0	338.432	3.410	1	30		EGEFRN
N#CC1(c2ccc(Cl)cc2)SCC(N2CCOCC2)CS1	ZINC000103169086	204065001	/nfs/dbraw/zinc/06/50/01/204065001.db2.gz	PFGBJOLVUVDTPS-UHFFFAOYSA-N	0	0	340.901	3.197	1	30		EGEFRN
CCO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	ZINC000103218506	204067655	/nfs/dbraw/zinc/06/76/55/204067655.db2.gz	ZTSJAEARXOBMGB-KEBDBYFISA-N	0	0	347.321	3.297	1	30		EGEFRN
C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)[C@H](O)[C@@]3(C)CC[C@@H]21	ZINC000017310816	211964416	/nfs/dbraw/zinc/96/44/16/211964416.db2.gz	GVKVGOGUDSJCLX-ZJKGHYPUSA-N	0	0	328.452	3.439	1	30		EGEFRN
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@]23C	ZINC000013298258	211542433	/nfs/dbraw/zinc/54/24/33/211542433.db2.gz	XQOSNJUURCKQGN-CSNAGLLJSA-N	0	0	344.451	3.197	3	30	in-vitro	EGEFRN
C/C1=C/C=C(/[C@@](C)(O)CO)C[C@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169361133	206554250	/nfs/dbraw/zinc/55/42/50/206554250.db2.gz	NWBHMZVDIALTDH-PJSACNPJSA-N	0	0	336.472	3.031	1	30		EGEFRN
CC(C)C#C[C@]1(C(C)C)NS(=O)(=O)Nc2ccc(Cl)cc21	ZINC000005962457	210568599	/nfs/dbraw/zinc/56/85/99/210568599.db2.gz	UINCOYXYKVUHAV-OAHLLOKOSA-N	0	0	326.849	3.111	1	30		EGEFRN
O=C1c2ccccc2S(=O)(=O)/C1=C/c1ccc(Br)cc1	ZINC000033317459	453914443	/nfs/dbraw/zinc/91/44/43/453914443.db2.gz	YMCMOHCEJKSTGF-NTEUORMPSA-N	0	0	349.205	3.460	1	30		EGEFRN
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@@H]2O	ZINC000169290467	526892343	/nfs/dbraw/zinc/89/23/43/526892343.db2.gz	OASCGMGKXPPAEW-KCBOQPRCSA-N	0	0	334.456	3.443	1	30		EGEFRN
CC1=C2[C@H](O)C(=O)O[C@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000003978313	560192378	/nfs/dbraw/zinc/19/23/78/560192378.db2.gz	XQOSNJUURCKQGN-YDMSWWHLSA-N	0	0	344.451	3.197	3	30	in-vitro	EGEFRN
CCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC(=O)[O-])O1	ZINC000043284672	717128964	/nfs/dbraw/zinc/12/89/64/717128964.db2.gz	GSERBRKCFOZBGB-AEFFLSMTSA-O	0	0	330.489	3.156	1	30		EGEFRN
COC(=O)c1sc2cc(C#Cc3ccc(OC)cc3)cnc2c1N	ZINC000066079654	215008154	/nfs/dbraw/zinc/00/81/54/215008154.db2.gz	BRPBXMJVXBKUMW-UHFFFAOYSA-N	0	0	338.388	3.074	1	30		EGEFRN
C[C@@]1(CF)C=C(C(=S)NCCC#N)c2cc([N+](=O)[O-])ccc2O1	ZINC000026402329	202142443	/nfs/dbraw/zinc/14/24/43/202142443.db2.gz	DRQYNLODWXEJBU-HNNXBMFYSA-N	0	0	335.360	3.341	1	30		EGEFRN
Cc1cc(NC(=O)[C@@](C)(O)CSc2ccccc2)ccc1C#N	ZINC000028086004	202164087	/nfs/dbraw/zinc/16/40/87/202164087.db2.gz	MUFCAJBKUCZCGK-SFHVURJKSA-N	0	0	326.421	3.349	1	30		EGEFRN
N#Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1	ZINC000028383844	202170575	/nfs/dbraw/zinc/17/05/75/202170575.db2.gz	YVJZNOHNGOFLHT-UHFFFAOYSA-N	0	0	342.337	3.402	1	30		EGEFRN
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=N\OC	ZINC000028955847	202179583	/nfs/dbraw/zinc/17/95/83/202179583.db2.gz	PWBITTVWPSCIIC-XUTLUUPISA-N	0	0	337.375	3.424	1	30		EGEFRN
C[C@H]1C(=O)N(C2CCCCCC2)C[C@@H]1COc1ccc(C#N)cn1	ZINC000036286287	202319851	/nfs/dbraw/zinc/31/98/51/202319851.db2.gz	IBXCUSPLUKIYBX-GDBMZVCRSA-N	0	0	327.428	3.149	1	30		EGEFRN
Cn1c2cc(C#N)sc2c2cnn(Cc3ccc(F)cc3)c(=O)c21	ZINC000036380671	202324125	/nfs/dbraw/zinc/32/41/25/202324125.db2.gz	WENXICOYHXGPFD-UHFFFAOYSA-N	0	0	338.367	3.009	3	30		EGEFRN
CCCn1cc(C=CC(=O)C=C(O)C(=O)OCC)c2ccccc21	ZINC000101704901	204019141	/nfs/dbraw/zinc/01/91/41/204019141.db2.gz	HVLDDWAFKZCGSF-MDZDMXLPSA-N	0	0	327.380	3.156	1	30		EGEFRN
CCc1cc(Nc2c(N[C@H](C)C(C)(C)C)c(=O)c2=O)ccc1C#N	ZINC000102186628	204034960	/nfs/dbraw/zinc/03/49/60/204034960.db2.gz	BWQWDQGBNJLOQF-LLVKDONJSA-N	0	0	325.412	3.307	1	30		EGEFRN
O=C1CCCC2=C1[C@H](c1cc3ccccc3[nH]c1=S)NC(=O)N2	ZINC000103283174	204072347	/nfs/dbraw/zinc/07/23/47/204072347.db2.gz	LDEJJYYZOOPTKZ-HNNXBMFYSA-N	0	0	325.393	3.258	1	30		EGEFRN
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=[NH+]C[C@H]1CCCO1	ZINC000102908997	204054880	/nfs/dbraw/zinc/05/48/80/204054880.db2.gz	ZAKOOGVJWGMVEO-RVZJCZPVSA-N	0	0	331.391	3.267	1	30		EGEFRN
C[C@@H](NNC(=S)N1C[C@H](C)O[C@@H](C)C1)c1nccc2ccccc21	ZINC000169373095	206553438	/nfs/dbraw/zinc/55/34/38/206553438.db2.gz	BLJOMYNVSNUVKA-MELADBBJSA-N	0	0	344.484	3.195	1	30		EGEFRN
C=C(C)[C@H](O)Cc1c2c(ccc1O)[C@H]1COc3cc(O)ccc3[C@@H]1O2	ZINC000015147360	571732763	/nfs/dbraw/zinc/73/27/63/571732763.db2.gz	LRCYZCCKRIVTHN-MDYRTPRTSA-N	0	0	340.375	3.187	1	30	endogenous,in-man	EGEFRN
C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000100780443	571833345	/nfs/dbraw/zinc/83/33/45/571833345.db2.gz	FKDIIXZIKCNXAT-WTSSEOJRSA-N	0	0	344.407	3.218	1	30	endogenous,in-man	EGEFRN
C[C@@H](O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118936997	571846176	/nfs/dbraw/zinc/84/61/76/571846176.db2.gz	OVQSVMZESAVYPN-WJEVFLGJSA-N	0	0	332.484	3.486	1	30	endogenous,in-man	EGEFRN
CC1=C2[C@@H](O)C(=O)O[C@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C	ZINC000009186907	201770415	/nfs/dbraw/zinc/77/04/15/201770415.db2.gz	XQOSNJUURCKQGN-LNBDIPNDSA-N	0	0	344.451	3.197	1	30		EGEFRN
O=C1C=C(N2CC2)C(=O)c2nc(-c3ccc4ccccc4c3)ccc21	ZINC000026828281	202148489	/nfs/dbraw/zinc/14/84/89/202148489.db2.gz	PKUDHALWINNSOO-UHFFFAOYSA-N	0	0	326.355	3.480	1	30		EGEFRN
CCCCCC[C@@H](O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O	ZINC000026485253	202143886	/nfs/dbraw/zinc/14/38/86/202143886.db2.gz	UPDVODQXDMPCIM-CYBMUJFWSA-N	0	0	332.396	3.341	1	30		EGEFRN
COC(=O)[C@@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1	ZINC000033913691	202271462	/nfs/dbraw/zinc/27/14/62/202271462.db2.gz	MVBWBQNHPLNREC-SPLOXXLWSA-N	0	0	339.435	3.147	1	30		EGEFRN
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@@H]2C	ZINC000036381754	202323847	/nfs/dbraw/zinc/32/38/47/202323847.db2.gz	KPAMAOKNEWVTGG-RURTYGRKSA-N	0	0	326.392	3.289	3	30		EGEFRN
C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O	ZINC000005810773	201056365	/nfs/dbraw/zinc/05/63/65/201056365.db2.gz	SMGBXXZKAPMTBB-FQEVSTJZSA-N	0	0	332.311	3.042	1	30	in-vivo	EGEFRN
Cc1ccc(/C(=N/O)n2ccnc2)c(Oc2ccc(F)c(F)c2)n1	ZINC000072186505	203183656	/nfs/dbraw/zinc/18/36/56/203183656.db2.gz	BUVOYNFYORPYQM-QNGOZBTKSA-N	0	0	330.294	3.341	1	30		EGEFRN
CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1NCc1ccccc1	ZINC000101550731	204010376	/nfs/dbraw/zinc/01/03/76/204010376.db2.gz	YCTWGBCLWICOEP-LJQANCHMSA-N	0	0	343.448	3.369	1	30		EGEFRN
CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(C)cc1	ZINC000103176278	204064617	/nfs/dbraw/zinc/06/46/17/204064617.db2.gz	INQQLEKUCUYPMP-OMNSNBSWSA-N	0	0	340.423	3.369	1	30		EGEFRN
C=CCN1C(=O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O	ZINC000006482849	210637644	/nfs/dbraw/zinc/63/76/44/210637644.db2.gz	XEYVVHPJJHRUPE-NYUBLWNDSA-N	0	0	339.435	3.399	1	30		EGEFRN
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@@H]2O	ZINC000169290469	526892048	/nfs/dbraw/zinc/89/20/48/526892048.db2.gz	OASCGMGKXPPAEW-PVIOOJSUSA-N	0	0	334.456	3.443	1	30		EGEFRN
C[C@H](O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000095910689	571800847	/nfs/dbraw/zinc/80/08/47/571800847.db2.gz	OVQSVMZESAVYPN-CDKHJTLQSA-N	0	0	332.484	3.486	1	30	endogenous,in-man	EGEFRN
CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1	ZINC000013808910	581092661	/nfs/dbraw/zinc/09/26/61/581092661.db2.gz	YPLGVMIJHPJLRA-OAHLLOKOSA-N	0	0	335.425	3.068	1	30		EGEFRN
O=C(CCCCCCNC(=O)c1cc2cc(Cl)ccc2o1)NO	ZINC000013490071	581101950	/nfs/dbraw/zinc/10/19/50/581101950.db2.gz	NXOIUEIVRYARFG-UHFFFAOYSA-N	0	0	338.791	3.272	1	30		EGEFRN
CCCCCCCCCNC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043273687	717128470	/nfs/dbraw/zinc/12/84/70/717128470.db2.gz	BUYNCEPZKOMZCL-OAHLLOKOSA-O	0	0	331.477	3.013	1	30		EGEFRN
CCOC(=O)C1=C[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000049803901	214033313	/nfs/dbraw/zinc/03/33/13/214033313.db2.gz	GNDPUFVAMSJOKU-AWEZNQCLSA-N	0	0	325.408	3.464	1	30		EGEFRN
CC(=O)O[C@H]1[C@@H]2O[C@@]2(C)CC/C=C(\C)C[C@H](OC(C)=O)[C@H]1C(C)C	ZINC000100899678	219111318	/nfs/dbraw/zinc/11/13/18/219111318.db2.gz	DRGFRBPYLMWXJS-RUQCQGRMSA-N	0	0	338.444	3.410	1	30	in-vitro	EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC/C=C(\C)CC/C=C(\C)[C@@H]2O	ZINC000101544009	219133954	/nfs/dbraw/zinc/13/39/54/219133954.db2.gz	HVJGVUTXXJGUKC-SVVHEQHSSA-N	0	0	332.440	3.459	1	30		EGEFRN
COC(=O)[C@@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@@H]2CC=C(C)C	ZINC000103237219	219273527	/nfs/dbraw/zinc/27/35/27/219273527.db2.gz	LUIKELAQLPRGNL-MGPUTAFESA-N	0	0	344.407	3.424	1	30		EGEFRN
CC1(C)O[C@@H]1Cc1c(OC[C@@H]2OC2(C)C)ccc2ccc(=O)oc21	ZINC000014677149	290988523	/nfs/dbraw/zinc/98/85/23/290988523.db2.gz	ICRMRGFEHCUSRS-CABCVRRESA-N	0	0	330.380	3.069	1	30	biogenic,in-vitro	EGEFRN
COc1ccc(Oc2cc(/C(=N/O)N3CC=CCC3)ccn2)cc1	ZINC000072103581	216008233	/nfs/dbraw/zinc/00/82/33/216008233.db2.gz	ZFQUYSUUTBXRDX-ZZEZOPTASA-N	0	0	325.368	3.280	1	30		EGEFRN
CCN1CC(C)(C)[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O	ZINC000072120096	216013489	/nfs/dbraw/zinc/01/34/89/216013489.db2.gz	HIUHLZADQOFGBE-CYBMUJFWSA-N	0	0	326.318	3.213	1	30		EGEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1C	ZINC000029566618	212673066	/nfs/dbraw/zinc/67/30/66/212673066.db2.gz	LBXOJPHXVYLGAL-LKFCYVNXSA-N	0	0	338.201	3.143	1	30		EGEFRN
N#CC(=NN=c1[nH]c2ccccc2[nH]1)C(=O)c1c[nH]c2ccccc12	ZINC000028714032	212634089	/nfs/dbraw/zinc/63/40/89/212634089.db2.gz	CUFSTXCMDTWCKN-XQNSMLJCSA-N	0	0	328.335	3.219	1	30		EGEFRN
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O	ZINC000073258910	216370445	/nfs/dbraw/zinc/37/04/45/216370445.db2.gz	KINBHFUHBUNAOF-HUPWQWEESA-N	0	0	343.427	3.351	1	30		EGEFRN
CC1=CC(=O)C=C(C)[C@@H]2COC(=O)C(=CC=CC(C)(C)O)[C@H]2CC1	ZINC000015119095	211804376	/nfs/dbraw/zinc/80/43/76/211804376.db2.gz	RGTPNNMQGBLXOP-GGHWEJLBSA-N	0	0	330.424	3.285	1	30		EGEFRN
N#C[C@]12C(=N)O[C@@]3(CCCC[C@@H]31)O[C@@H](c1ccccc1)C2(C#N)C#N	ZINC000169300649	303173654	/nfs/dbraw/zinc/17/36/54/303173654.db2.gz	WZLSMMJVGMRTON-WTLGNFPFSA-N	0	0	332.363	3.195	1	30		EGEFRN
N#CCCCc1cc2cccnc2n1S(=O)(=O)c1ccccc1	ZINC000169321967	534629234	/nfs/dbraw/zinc/62/92/34/534629234.db2.gz	TUIFRZAKIPZMNS-UHFFFAOYSA-N	0	0	325.393	3.120	1	30		EGEFRN
N#Cc1ccc(Nc2nccc(/C(=N\O)c3cccc(F)c3)n2)cc1	ZINC000049110108	213987647	/nfs/dbraw/zinc/98/76/47/213987647.db2.gz	CBCQPVSYJKZTDV-ULJHMMPZSA-N	0	0	333.326	3.458	1	30		EGEFRN
C[C@@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1	ZINC000101487190	219128923	/nfs/dbraw/zinc/12/89/23/219128923.db2.gz	UFKAWKPRQKMKDU-NIZNLAEJSA-N	0	0	345.262	3.294	3	30		EGEFRN
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1	ZINC000101684039	219156363	/nfs/dbraw/zinc/15/63/63/219156363.db2.gz	QHKUIFVXVNUYHH-VLURKWGBSA-N	0	0	339.351	3.098	1	30		EGEFRN
C[C@]1([C@@H](O)CO)CC[C@]2(C)[C@H]3CCC(O)=C(C=O)[C@@]3(C)CC[C@H]2C1	ZINC000102401038	219201239	/nfs/dbraw/zinc/20/12/39/219201239.db2.gz	VEHQOXOBKPFBHP-HIKXKAOSSA-N	0	0	336.472	3.373	1	30		EGEFRN
CNC(=O)/C(=N/OC)c1ccccc1COc1c(C)ccc(C)c1C	ZINC000103193967	219268240	/nfs/dbraw/zinc/26/82/40/219268240.db2.gz	OODSUVQNRZFGKP-RELWKKBWSA-N	0	0	340.423	3.287	1	30		EGEFRN
COC(=O)N1CC[C@@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@@H]21	ZINC000103273434	219280004	/nfs/dbraw/zinc/28/00/04/219280004.db2.gz	KHTQLWFDNBGZGX-BJLQDIEVSA-N	0	0	327.424	3.109	1	30		EGEFRN
CC(C)C(=O)Cc1c(OC[C@H]2OC2(C)C)ccc2ccc(=O)oc21	ZINC000095912465	290987975	/nfs/dbraw/zinc/98/79/75/290987975.db2.gz	GQNWYSYOSQOHAT-MRXNPFEDSA-N	0	0	330.380	3.117	1	30	biogenic,in-vitro	EGEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C	ZINC000040395076	213297732	/nfs/dbraw/zinc/29/77/32/213297732.db2.gz	MCHBEHPBWGBBDV-YMTOWFKASA-N	0	0	343.301	3.279	1	30		EGEFRN
C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C	ZINC000038928459	213230706	/nfs/dbraw/zinc/23/07/06/213230706.db2.gz	PRZHJEFHHOMZQJ-UFXSKVETSA-N	0	0	332.440	3.363	1	30		EGEFRN
CC(=O)C1=COC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2N1C	ZINC000038693904	213220992	/nfs/dbraw/zinc/22/09/92/213220992.db2.gz	PMIRJPWEIZTLEG-KTGNWYGMSA-N	0	0	336.435	3.215	1	30		EGEFRN
Cc1cc2c(s1)c(C#N)c(C(=O)NCc1ccccc1F)n2C	ZINC000036380669	213091478	/nfs/dbraw/zinc/09/14/78/213091478.db2.gz	RFJLWCHJEQNIKZ-UHFFFAOYSA-N	0	0	327.384	3.489	1	30		EGEFRN
COc1ccc([C@H](O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1	ZINC000072114986	216011411	/nfs/dbraw/zinc/01/14/11/216011411.db2.gz	LODBLQXGKDSFHP-SFHVURJKSA-N	0	0	332.363	3.182	1	30		EGEFRN
N#Cc1ccc(Nc2nccc([C@H](O)c3cc(F)ccc3F)n2)cc1	ZINC000072114997	216011579	/nfs/dbraw/zinc/01/15/79/216011579.db2.gz	AYOXCDHCHKYZBP-QGZVFWFLSA-N	0	0	338.317	3.452	1	30		EGEFRN
CC(C)C1=NN[C@@](C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000028710434	212632843	/nfs/dbraw/zinc/63/28/43/212632843.db2.gz	KUIHXXRYHIPZIB-OAHLLOKOSA-N	0	0	338.333	3.280	1	30		EGEFRN
COc1cc(CN=Nc2nc(C)c(C(C)=O)s2)cc(OC)c1OC	ZINC000096937529	218903123	/nfs/dbraw/zinc/90/31/23/218903123.db2.gz	IULVWCSWFBMHJK-CAOOACKPSA-N	0	0	349.412	3.126	1	30		EGEFRN
Cc1ccc(NC(=O)/C=N\OCC(=O)Nc2cc(C)cc(C)c2)cc1	ZINC000038204133	524991374	/nfs/dbraw/zinc/99/13/74/524991374.db2.gz	GRPXDTMSXYAPQG-JAIQZWGSSA-N	0	0	339.395	3.191	1	30		EGEFRN
C=C1C(=O)O[C@@H]2C[C@@H]1[C@@H](O)C/C(C)=C\CC/C(C)=C\[C@@H](O)C[C@@H]2C	ZINC000169333393	526892485	/nfs/dbraw/zinc/89/24/85/526892485.db2.gz	GQTPRLWQZDUWKJ-MDMFCBAKSA-N	0	0	334.456	3.299	1	30		EGEFRN
COc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1	ZINC000028960954	536669278	/nfs/dbraw/zinc/66/92/78/536669278.db2.gz	FWFLUBJUGGENKO-UHFFFAOYSA-N	0	0	325.368	3.402	1	30		EGEFRN
C#CCn1c2ccccc2c2cc(C(=O)N3CCSCC3)nc(C)c21	ZINC000058538262	214594935	/nfs/dbraw/zinc/59/49/35/214594935.db2.gz	GMGXUAXURFKGPI-UHFFFAOYSA-N	0	0	349.459	3.320	1	30		EGEFRN
CCOC(=O)C(=O)C=CC(SCc1ccccc1)C(=O)OCC	ZINC000100661384	219104227	/nfs/dbraw/zinc/10/42/27/219104227.db2.gz	JWBKZDYKYDPKBM-YIIPHKSBSA-N	0	0	336.409	3.372	1	30		EGEFRN
CN1c2ccccc2C(=O)C(=CNc2ccc(F)cc2)S1(=O)=O	ZINC000101870018	219169287	/nfs/dbraw/zinc/16/92/87/219169287.db2.gz	WZZYSOMSPQEJMV-VCHYOVAHSA-N	0	0	332.356	3.234	1	30		EGEFRN
CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)C(=O)CC[C@]3(C)C2C(=O)C1=O	ZINC000085873900	290987979	/nfs/dbraw/zinc/98/79/79/290987979.db2.gz	QRQXVGKAYRQVAJ-UYAOXDASSA-N	0	0	328.408	3.484	1	30	biogenic,in-vitro	EGEFRN
CCOc1ccccc1Oc1ncc(C#C[C@H](C)NC(C)=O)s1	ZINC000036184995	213075947	/nfs/dbraw/zinc/07/59/47/213075947.db2.gz	PYQCVMJFBMJPEN-LBPRGKRZSA-N	0	0	330.409	3.210	1	30		EGEFRN
Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C#N)cc1	ZINC000072123181	216015381	/nfs/dbraw/zinc/01/53/81/216015381.db2.gz	FUFDDQTYCBJHQU-UHFFFAOYSA-N	0	0	344.422	3.226	1	30		EGEFRN
C=CCN1[C@H](CC(C)C)COc2c(Cl)cccc2S1(=O)=O	ZINC000072139422	216025894	/nfs/dbraw/zinc/02/58/94/216025894.db2.gz	IGICDKOXDFTDKL-GFCCVEGCSA-N	0	0	329.849	3.324	1	30		EGEFRN
COc1ccc(NC2=C(Cl)C(=O)c3sc(CO)cc3C2=O)cc1	ZINC000028522318	212622815	/nfs/dbraw/zinc/62/28/15/212622815.db2.gz	GLNYEWYLDMFYFM-UHFFFAOYSA-N	0	0	349.795	3.191	1	30		EGEFRN
C[C@H](NNC(=S)N1C[C@@H](C)O[C@@H](C)C1)c1nccc2ccccc21	ZINC000027983493	212592888	/nfs/dbraw/zinc/59/28/88/212592888.db2.gz	BLJOMYNVSNUVKA-MJBXVCDLSA-N	0	0	344.484	3.195	1	30		EGEFRN
COc1ccc2c(c1)c1c(c(=O)[nH]nc1C)n2Cc1cccc(C#N)c1	ZINC000084742267	217640838	/nfs/dbraw/zinc/64/08/38/217640838.db2.gz	KJDFVVUZTRUIIC-UHFFFAOYSA-N	0	0	344.374	3.115	1	30		EGEFRN
C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C	ZINC000012725998	211439292	/nfs/dbraw/zinc/43/92/92/211439292.db2.gz	KDRXBLKIJHTGCN-ZNYHDOEXSA-N	0	0	344.407	3.191	3	30		EGEFRN
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](OC)C3)cc2)cc1	ZINC000096927978	218900648	/nfs/dbraw/zinc/90/06/48/218900648.db2.gz	QAVVOFASNQWWDE-OAQYLSRUSA-N	0	0	349.430	3.346	1	30		EGEFRN
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)CO	ZINC000013540501	560219133	/nfs/dbraw/zinc/21/91/33/560219133.db2.gz	ZCFUAGVJMSGCHS-UJPCIWJBSA-N	0	0	332.484	3.488	1	30	in-vitro	EGEFRN
C=C1[C@@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@H](C(C)C)C[C@@H]1OC(=O)CC(C)C	ZINC000015107400	574413778	/nfs/dbraw/zinc/41/37/78/574413778.db2.gz	RJNJFKDVPIFVPQ-QTODTUCWSA-N	0	0	336.472	3.379	1	30	endogenous,in-man	EGEFRN
O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc2c(c1)OCO2	ZINC000101505632	219128874	/nfs/dbraw/zinc/12/88/74/219128874.db2.gz	WATCJKDXUVMFIM-GIJQJNRQSA-N	0	0	331.324	3.121	1	30		EGEFRN
Cn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21	ZINC000066080133	215008135	/nfs/dbraw/zinc/00/81/35/215008135.db2.gz	CHKQRCNHKANTSK-UHFFFAOYSA-N	0	0	325.393	3.088	1	30		EGEFRN
Nc1ccccc1C#C/C=C\C#CC#C/C=C\C#Cc1ccccc1N	ZINC000040892183	213397885	/nfs/dbraw/zinc/39/78/85/213397885.db2.gz	FAKSDBCCQYESPK-SFECMWDFSA-N	0	0	332.406	3.373	1	30		EGEFRN
COc1cc(/C=N/NC(=S)Nc2ccc(Cl)cc2)ccc1O	ZINC000040848016	213393540	/nfs/dbraw/zinc/39/35/40/213393540.db2.gz	JXEGNNMAFSIRBZ-RQZCQDPDSA-N	0	0	335.816	3.375	1	30		EGEFRN
COc1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1	ZINC000040829486	213392120	/nfs/dbraw/zinc/39/21/20/213392120.db2.gz	DDGCIAFSNRBHQK-GIJQJNRQSA-N	0	0	330.413	3.271	1	30		EGEFRN
C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000038846705	213227858	/nfs/dbraw/zinc/22/78/58/213227858.db2.gz	ZHNTWXWAMWPYNI-VRKFFOFISA-N	0	0	332.440	3.076	1	30		EGEFRN
N#Cc1ccc(Nc2nc(Cc3c(F)cccc3F)cc(=O)[nH]2)cc1	ZINC000073313799	216376983	/nfs/dbraw/zinc/37/69/83/216376983.db2.gz	OEDCZGQYBVMDJM-UHFFFAOYSA-N	0	0	338.317	3.254	1	30		EGEFRN
CC(=O)Nc1ccc2c(c1)[C@](C#CC1CC1)(C(F)(F)F)OC(=O)N2	ZINC000005856858	210548342	/nfs/dbraw/zinc/54/83/42/210548342.db2.gz	GEXMVGJMVKSGDP-OAHLLOKOSA-N	0	0	338.285	3.378	1	30		EGEFRN
COc1cc(C[C@@H](O)/C=C/C(=O)CCc2ccccc2)ccc1O	ZINC000070455132	560047653	/nfs/dbraw/zinc/04/76/53/560047653.db2.gz	ZJLYJIBMHZUJKB-ZGKFYVQTSA-N	0	0	326.392	3.062	1	30	biogenic,in-vitro	EGEFRN
C=C(C)[C@H](O)Cc1c2c(ccc1O)[C@@H]1COc3cc(O)ccc3[C@H]1O2	ZINC000059729378	574415355	/nfs/dbraw/zinc/41/53/55/574415355.db2.gz	LRCYZCCKRIVTHN-XAUMDUMWSA-N	0	0	340.375	3.187	1	30	endogenous,in-man	EGEFRN
CCOC(=O)[C@@]1(O)C[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O1	ZINC000049803571	214032715	/nfs/dbraw/zinc/03/27/15/214032715.db2.gz	MYWNHTJAAOYSEQ-JLTOFOAXSA-N	0	0	344.407	3.085	1	30		EGEFRN
CC(C)(C)c1nn(-c2cc(OCC#N)c(Cl)cc2Cl)c(=O)o1	ZINC000049031831	213979547	/nfs/dbraw/zinc/97/95/47/213979547.db2.gz	IQWMUTFHGXREBR-UHFFFAOYSA-N	0	0	342.182	3.332	1	30		EGEFRN
C=C1CC[C@@H]2CCC3=C([C@@H](C[C@]4(C)O[C@H]4[C@@H](O)C1)OC3=O)C2(C)C	ZINC000101535983	219133215	/nfs/dbraw/zinc/13/32/15/219133215.db2.gz	SMGIARQMSXVWAY-FWJNGRQBSA-N	0	0	332.440	3.293	1	30		EGEFRN
Cc1ccc([C@@H](C)Nc2c(Nc3ccc(C#N)cc3)c(=O)c2=O)cc1	ZINC000003823966	210077345	/nfs/dbraw/zinc/07/73/45/210077345.db2.gz	QBPWIAPEJAKHAC-VCIGQXRTSA-N	0	0	331.375	3.048	1	30		EGEFRN
CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccccc1	ZINC000103171674	219266062	/nfs/dbraw/zinc/26/60/62/219266062.db2.gz	CTFUQWVCYRJCMX-ALDSOSFCSA-N	0	0	326.396	3.061	1	30		EGEFRN
Cc1ccc(-c2cnnc(N3CC[C@H](c4cccc(C#N)c4)C3)n2)o1	ZINC000103227015	219272171	/nfs/dbraw/zinc/27/21/71/219272171.db2.gz	JNWRTVZWGHBDDI-INIZCTEOSA-N	0	0	331.379	3.306	1	30		EGEFRN
O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1	ZINC000040564898	213351424	/nfs/dbraw/zinc/35/14/24/213351424.db2.gz	FSNQHYKYVSKWMM-CAOOACKPSA-N	0	0	345.384	3.171	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000155827049	290986207	/nfs/dbraw/zinc/98/62/07/290986207.db2.gz	ITWYQAIFKHRKRR-UZBNBYQXSA-N	0	0	346.423	3.011	1	30	biogenic	EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000013323885	290986211	/nfs/dbraw/zinc/98/62/11/290986211.db2.gz	QFINJHBXXJQKPB-POSLHOONSA-N	0	0	346.423	3.010	1	30	biogenic,in-man	EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)C[C@H]12	ZINC000040394868	213298132	/nfs/dbraw/zinc/29/81/32/213298132.db2.gz	HZAPTPBMBOIGCM-SFQXUBQZSA-N	0	0	334.456	3.443	1	30		EGEFRN
Cn1cncc1C#Cc1ccc2cc(C3(O)CCCCC3)oc(=O)c2c1	ZINC000036388913	213093333	/nfs/dbraw/zinc/09/33/33/213093333.db2.gz	GWLZBXPQTKXSTM-UHFFFAOYSA-N	0	0	348.402	3.078	3	30		EGEFRN
Cc1cc(C)c2nc(NCCNC(=O)c3ccco3)c(C#N)cc2c1	ZINC000035312934	213019915	/nfs/dbraw/zinc/01/99/15/213019915.db2.gz	FZEVNEHTGDBHGL-UHFFFAOYSA-N	0	0	334.379	3.158	1	30		EGEFRN
C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4C#N)cc3c21	ZINC000028901993	212643407	/nfs/dbraw/zinc/64/34/07/212643407.db2.gz	QBBJUOOPQOTTLK-NSHDSACASA-N	0	0	344.374	3.139	1	30		EGEFRN
N#Cc1ccc(/C(=C\C[C@H]([NH3+])C(=O)[O-])c2ccc(F)cc2F)cc1	ZINC000028769513	212636043	/nfs/dbraw/zinc/63/60/43/212636043.db2.gz	KEAJHTZYSWBADO-VRXKTSEUSA-N	0	0	328.318	3.070	1	30		EGEFRN
Clc1nc2c(ncnc2C#Cc2ccccc2)n1C1CCOCC1	ZINC000027995642	212593965	/nfs/dbraw/zinc/59/39/65/212593965.db2.gz	JPYNNHMVXFSQGR-UHFFFAOYSA-N	0	0	338.798	3.231	1	30		EGEFRN
C=C1C(=O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1CC3	ZINC000017187355	211958973	/nfs/dbraw/zinc/95/89/73/211958973.db2.gz	CAZYNLSCRWNLPJ-GEONTBIXSA-N	0	0	346.467	3.422	1	30		EGEFRN
CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CC#N)c3[C@@H]12	ZINC000064448335	132806558	/nfs/dbraw/zinc/80/65/58/132806558.db2.gz	BJDHZUGCQQUEAC-FQEVSTJZSA-N	0	0	342.402	3.312	1	30		EGEFRN
C[C@](O)(c1ccc(F)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1	ZINC000169310964	226240678	/nfs/dbraw/zinc/24/06/78/226240678.db2.gz	ARYBRLXZTNECIC-IBGZPJMESA-N	0	0	334.354	3.487	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(\C)[C@H]2O	ZINC000169370693	526892016	/nfs/dbraw/zinc/89/20/16/526892016.db2.gz	IAWHPIHHKZYGDC-RQLVZSBQSA-N	0	0	332.440	3.221	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C\CCC(=C)[C@H]3CC[C@@](C)(O3)[C@@H](O)C[C@H]12	ZINC000169313110	526892460	/nfs/dbraw/zinc/89/24/60/526892460.db2.gz	HNHDPFYELJZTEZ-DWXQCJNKSA-N	0	0	332.440	3.459	1	30		EGEFRN
C=CCOc1ccc2c(c1)CC[C@H]1[C@H]3C[C@@H](O)[C@@H](O)[C@@]3(C)CC[C@@H]21	ZINC000169356421	526896280	/nfs/dbraw/zinc/89/62/80/526896280.db2.gz	GVKVGOGUDSJCLX-PZAQWVNCSA-N	0	0	328.452	3.439	1	30		EGEFRN
O=c1[nH]cccc1[C@](C#CC1CC1)(OCc1ccccn1)C(F)(F)F	ZINC000005940632	581099592	/nfs/dbraw/zinc/09/95/92/581099592.db2.gz	HVSHQYWUWWRBQI-KRWDZBQOSA-N	0	0	348.324	3.158	1	30		EGEFRN
O=C1c2ccc(C#Cc3cccc(F)c3)nc2CCN1CC1CCC1	ZINC000066074104	215007069	/nfs/dbraw/zinc/00/70/69/215007069.db2.gz	QZXGTLPVZURHKO-UHFFFAOYSA-N	0	0	334.394	3.419	1	30		EGEFRN
O=C(C=Cc1ccccc1)c1ccc(C[C@H]2SC(=O)NC2=O)cc1	ZINC000003933934	210093793	/nfs/dbraw/zinc/09/37/93/210093793.db2.gz	AVPFVBQJFBSPIS-VGMNTSGFSA-N	0	0	337.400	3.477	1	30		EGEFRN
CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(C)cc1	ZINC000103176280	219265451	/nfs/dbraw/zinc/26/54/51/219265451.db2.gz	INQQLEKUCUYPMP-QTCOBDOFSA-N	0	0	340.423	3.369	1	30		EGEFRN
CNC(=O)/C(=N/OC)c1ccccc1COc1ccc(Cl)cc1	ZINC000103180614	219266657	/nfs/dbraw/zinc/26/66/57/219266657.db2.gz	CTXGCBYKELYXEM-CAPFRKAQSA-N	0	0	332.787	3.016	1	30		EGEFRN
CO/N=C/CCC(F)(F)c1ccc([C@H](C)[S@@](C)(=O)=NC#N)cn1	ZINC000103199362	219268598	/nfs/dbraw/zinc/26/85/98/219268598.db2.gz	ZEFPWRSXVTWVRD-ZDTQSADGSA-N	0	0	344.387	3.226	1	30		EGEFRN
CNc1nc(Nc2cnn(C(C)(C)C#N)c2C)ncc1C(F)(F)F	ZINC000103260602	219278136	/nfs/dbraw/zinc/27/81/36/219278136.db2.gz	BMKSPRZCAMDYCM-UHFFFAOYSA-N	0	0	339.325	3.044	1	30		EGEFRN
O=S1(=O)C=C(OCc2ccccc2)[C@@]2(CCc3ccccc3C2)O1	ZINC000040828937	213392277	/nfs/dbraw/zinc/39/22/77/213392277.db2.gz	QRRSGSDFJJCJRV-IBGZPJMESA-N	0	0	342.416	3.332	1	30		EGEFRN
C/C(=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccncc1	ZINC000038823541	213226969	/nfs/dbraw/zinc/22/69/69/213226969.db2.gz	XIBLYFPGLDPEFG-CIAFOILYSA-N	0	0	328.485	3.239	1	30		EGEFRN
COc1ccc2cc(/C=N/S(=O)(=O)c3ccc(C)cc3)n(C)c2c1	ZINC000036387641	213093143	/nfs/dbraw/zinc/09/31/43/213093143.db2.gz	CLWACLXHHXQFQL-XDHOZWIPSA-N	0	0	342.420	3.303	3	30		EGEFRN
COc1ccc([C@@H](O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1	ZINC000072114987	216011175	/nfs/dbraw/zinc/01/11/75/216011175.db2.gz	LODBLQXGKDSFHP-GOSISDBHSA-N	0	0	332.363	3.182	1	30		EGEFRN
COC(=O)Nc1nc2cc(C(=O)c3cc(CC#N)cs3)ccc2[nH]1	ZINC000027332286	212553767	/nfs/dbraw/zinc/55/37/67/212553767.db2.gz	BTJVRLJIZSTOKJ-UHFFFAOYSA-N	0	0	340.364	3.100	1	30		EGEFRN
Cc1cccc(C)c1Oc1nc(N)nc(Nc2ccc(C#N)cc2)n1	ZINC000005931280	210561118	/nfs/dbraw/zinc/56/11/18/210561118.db2.gz	OEBVKUXFJFYGMH-UHFFFAOYSA-N	0	0	332.367	3.478	1	30		EGEFRN
Cc1cc(C)c(C#N)c(SC(=S)NC(=O)c2ccccc2)n1	ZINC000005930769	210560265	/nfs/dbraw/zinc/56/02/65/210560265.db2.gz	VJJIEGWDMALMNC-UHFFFAOYSA-N	0	0	327.434	3.377	1	30		EGEFRN
C[C@@](O)(c1ccc(F)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1	ZINC000169310963	226240870	/nfs/dbraw/zinc/24/08/70/226240870.db2.gz	ARYBRLXZTNECIC-LJQANCHMSA-N	0	0	334.354	3.487	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C)CC/C=C(/C)CC/C=C(\C)[C@H]2O	ZINC000169298976	526892374	/nfs/dbraw/zinc/89/23/74/526892374.db2.gz	HVJGVUTXXJGUKC-XVOMBKGHSA-N	0	0	332.440	3.459	1	30		EGEFRN
C=CC1=C2C(=O)CC[C@@H]3C[N+]4([O-])C[C@@H](C)[C@H]5C[C@@H]4[C@]3(C)[C@]2(CC1)C5=O	ZINC000238760306	717162729	/nfs/dbraw/zinc/16/27/29/717162729.db2.gz	OKZGKLJPSZHANM-UWLAPIRYSA-N	0	0	341.451	3.170	1	30		EGEFRN
COc1ccc(C=C2NC(=O)C(C=NCc3ccccc3)=C2O)cc1	ZINC000022146983	212279693	/nfs/dbraw/zinc/27/96/93/212279693.db2.gz	VIDAMHVTJOFDBP-URUBZPSVSA-N	0	0	334.375	3.249	1	30		EGEFRN
CCCCCCCC=C=CC(=O)[C@H](CO)NC(=O)OC(C)(C)C	ZINC000049881758	214035700	/nfs/dbraw/zinc/03/57/00/214035700.db2.gz	RZEXEEOVJKKRFW-HNNXBMFYSA-N	0	0	325.449	3.195	1	30		EGEFRN
O=C1CNC(=O)C1=C(NC1CCCCC1)c1cccc2ccccc21	ZINC000169310883	226240921	/nfs/dbraw/zinc/24/09/21/226240921.db2.gz	VMDHVNKRKOMRCT-VXPUYCOJSA-N	0	0	334.419	3.172	1	30		EGEFRN
CO[C@H]1C=C[C@@]23O[C@@H]2C[C@H]2CCCc4cc5c(cc4[C@@]23C1)OCO5	ZINC000085491198	560075318	/nfs/dbraw/zinc/07/53/18/560075318.db2.gz	FHKVPQGVMJYBPM-OLINKRDDSA-N	0	0	326.392	3.122	1	30	biogenic,in-vitro	EGEFRN
COc1cc2c(c(OC)c1)C(=O)/C(=C/c1cccc(OC)c1OC)O2	ZINC000103178981	219266741	/nfs/dbraw/zinc/26/67/41/219266741.db2.gz	VOIPJKCPGVDWQP-PXNMLYILSA-N	0	0	342.347	3.337	1	30		EGEFRN
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cccnn2)cc1	ZINC000103251620	219275740	/nfs/dbraw/zinc/27/57/40/219275740.db2.gz	BHXISYYBPBULKV-GUDVDZBRSA-N	0	0	331.375	3.146	1	30		EGEFRN
CC(C)(C)C1=C(Br)c2nc3ccccn3c2C(=O)C1=O	ZINC000103281857	219282450	/nfs/dbraw/zinc/28/24/50/219282450.db2.gz	AAMYARFTPGWJFZ-UHFFFAOYSA-N	0	0	333.185	3.252	1	30		EGEFRN
C=CCCC#CC#CC#CCCCCCC[C@@H]1C[C@@H](CO)OC1=O	ZINC000049034105	290986764	/nfs/dbraw/zinc/98/67/64/290986764.db2.gz	PNMPARWIIBHFCP-UXHICEINSA-N	0	0	326.436	3.227	1	30	biogenic,in-vitro	EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12	ZINC000158274356	290986210	/nfs/dbraw/zinc/98/62/10/290986210.db2.gz	QXVGANVELOYXEZ-FSZPOTLFSA-N	0	0	346.423	3.011	1	30	biogenic	EGEFRN
COc1ccccc1Oc1ncccc1/C(=N/O)N1CCSCC1	ZINC000072182953	216067310	/nfs/dbraw/zinc/06/73/10/216067310.db2.gz	CQGLQMZSGATCPQ-MNDPQUGUSA-N	0	0	345.424	3.067	1	30		EGEFRN
CC(C)(C)c1cc(-c2nsc(NC(=N)N)n2)cc(C(C)(C)C)c1O	ZINC000027194174	212548802	/nfs/dbraw/zinc/54/88/02/212548802.db2.gz	NBOPYOBZQNDPOJ-UHFFFAOYSA-N	0	0	347.488	3.411	1	30		EGEFRN
C=CCO[C@@H]1C=CCC[C@H]1N(O)c1ccc(Br)cn1	ZINC000073169510	216360146	/nfs/dbraw/zinc/36/01/46/216360146.db2.gz	BFZRPYAOIJBMTA-CHWSQXEVSA-N	0	0	325.206	3.330	1	30		EGEFRN
C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C	ZINC000059588463	560082667	/nfs/dbraw/zinc/08/26/67/560082667.db2.gz	GGRIWHJBFXFKGS-CFGAKRJMSA-N	0	0	340.375	3.477	1	30	biogenic,in-vitro	EGEFRN
C=C1C(=O)O[C@H]2C=C(C)C(=O)CC=C(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000100780436	571833347	/nfs/dbraw/zinc/83/33/47/571833347.db2.gz	FKDIIXZIKCNXAT-CKPKRBSUSA-N	0	0	344.407	3.218	1	30	endogenous,in-man	EGEFRN
CS(=O)(=O)c1ccc(C2=C(c3cc(Cl)ccn3)C(=O)CC2)cc1	ZINC000013796675	581099650	/nfs/dbraw/zinc/09/96/50/581099650.db2.gz	DUFCCGCFKPQHHO-UHFFFAOYSA-N	0	0	347.823	3.412	1	30		EGEFRN
CCOC(=O)C1=C[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000049803900	214032870	/nfs/dbraw/zinc/03/28/70/214032870.db2.gz	GNDPUFVAMSJOKU-CQSZACIVSA-N	0	0	325.408	3.464	1	30		EGEFRN
O=C1CO[C@@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1	ZINC000003922461	210093592	/nfs/dbraw/zinc/09/35/92/210093592.db2.gz	STDUMDNEHXHPDZ-CQSZACIVSA-N	0	0	329.705	3.480	1	30		EGEFRN
CS(=O)(=O)c1ccc(C2=C(Oc3ccccc3)C(=O)CC2)cc1	ZINC000003814823	210076607	/nfs/dbraw/zinc/07/66/07/210076607.db2.gz	HFLBVHGFPPEJBA-UHFFFAOYSA-N	0	0	328.389	3.243	1	30		EGEFRN
CCN(CC)/C(=N\C#N)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21	ZINC000040617208	213360000	/nfs/dbraw/zinc/36/00/00/213360000.db2.gz	ZMLOBWHEHJLRDF-MNDPQUGUSA-N	0	0	328.372	3.371	1	30		EGEFRN
COc1ccc(C#Cc2cnc(Cl)c3cncnc23)cc1OC	ZINC000036380987	213092119	/nfs/dbraw/zinc/09/21/19/213092119.db2.gz	LVBDVDXRXLLTDN-UHFFFAOYSA-N	0	0	325.755	3.095	1	30		EGEFRN
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC(=O)C[C@@H](C(=O)OC)[C@H]1CC3	ZINC000035276613	213017449	/nfs/dbraw/zinc/01/74/49/213017449.db2.gz	JSVYWQFZVYJDCP-FYZRTRKDSA-N	0	0	330.424	3.096	1	30		EGEFRN
CC(C)(C)[C@@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1	ZINC000072177234	216066656	/nfs/dbraw/zinc/06/66/56/216066656.db2.gz	VZFNPGQXAMLZHT-ZFTUXJPWSA-N	0	0	326.400	3.097	1	30		EGEFRN
Cc1cn(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)cn1	ZINC000072184476	216066964	/nfs/dbraw/zinc/06/69/64/216066964.db2.gz	NLKGMLZPHDCNHR-QNGOZBTKSA-N	0	0	330.294	3.341	1	30		EGEFRN
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000029571218	212674848	/nfs/dbraw/zinc/67/48/48/212674848.db2.gz	CTZZWWNXWHPDSK-XPTSAGLGSA-N	0	0	327.302	3.399	1	30		EGEFRN
C/N=C1\S/C(=C\c2cc(C)n(-c3ncccc3F)c2C)C(=O)N1C	ZINC000073141528	216355371	/nfs/dbraw/zinc/35/53/71/216355371.db2.gz	XXXKEHADQYSTNX-YPFSYJIWSA-N	0	0	344.415	3.160	1	30		EGEFRN
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)/C=C\CC(=O)OC	ZINC000195354571	240941005	/nfs/dbraw/zinc/94/10/05/240941005.db2.gz	KJHMKRHEJWSQIB-RWQOHMLTSA-N	0	0	347.411	3.404	1	30		EGEFRN
COc1ccc(/C=C2\Cc3cc(OC)c(O)cc3C2=O)cc1OC	ZINC000095577001	218439670	/nfs/dbraw/zinc/43/96/70/218439670.db2.gz	YJHCHTDPWWETEE-AWNIVKPZSA-N	0	0	326.348	3.240	1	30		EGEFRN
C/C1=C/C=C(/[C@@](C)(O)CO)C[C@@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169292898	527544161	/nfs/dbraw/zinc/54/41/61/527544161.db2.gz	NWBHMZVDIALTDH-KPJHKORZSA-N	0	0	336.472	3.031	1	30		EGEFRN
CCc1nc(C)cn1C[C@@H]1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C/CC[C@@H]12	ZINC000169308965	529730494	/nfs/dbraw/zinc/73/04/94/529730494.db2.gz	IZORMBINDZROFQ-CXUVVLIPSA-N	0	0	344.455	3.199	1	30		EGEFRN
CC(C)OC(=O)C(O)=CC(=O)c1cccn1Cc1ccc(F)cc1	ZINC000101063298	219115581	/nfs/dbraw/zinc/11/55/81/219115581.db2.gz	FPWXTBDMKQRXOR-YBEGLDIGSA-N	0	0	331.343	3.095	1	30		EGEFRN
CN1[C@@H]2C[C@@H](OC(=O)[C@H](c3ccccc3)C3CCCC3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103228796	219272161	/nfs/dbraw/zinc/27/21/61/219272161.db2.gz	NWXGNSBDKXVRMY-FFDFYAMSSA-N	0	0	341.451	3.116	1	30		EGEFRN
Cn1ccnc1-c1ccc([C@H]2[C@H](C(=O)NO)[C@@H]2c2ccccc2)cc1	ZINC000103251633	219275268	/nfs/dbraw/zinc/27/52/68/219275268.db2.gz	GBGPACXMYDEVFM-KZNAEPCWSA-N	0	0	333.391	3.090	1	30		EGEFRN
COc1cc2c(c3c1CC[C@](C)(CC(=O)C=C(C)C)O3)COC2=O	ZINC000040411100	213299905	/nfs/dbraw/zinc/29/99/05/213299905.db2.gz	VVVQVJCSSXMDGD-LJQANCHMSA-N	0	0	330.380	3.375	1	30		EGEFRN
Cc1ccc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)cc1	ZINC000071281998	215751591	/nfs/dbraw/zinc/75/15/91/215751591.db2.gz	WZHGXACVFYJGOS-UHFFFAOYSA-N	0	0	332.403	3.080	1	30		EGEFRN
CCN(c1ccccc1)C1=CC(=O)c2c(cnc3c2C(=O)CCC3)C1=O	ZINC000072107027	216009658	/nfs/dbraw/zinc/00/96/58/216009658.db2.gz	XSMHMQDMSPTVFU-UHFFFAOYSA-N	0	0	346.386	3.390	1	30		EGEFRN
CCOC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1C#CC(C)(C)O	ZINC000084618848	217621760	/nfs/dbraw/zinc/62/17/60/217621760.db2.gz	RTAALZMLGMYSMQ-UHFFFAOYSA-N	0	0	332.787	3.029	1	30		EGEFRN
CN1C(=O)[C@@H](CC(=O)NC2CCCCC2)SC1=Nc1ccccc1	ZINC000252640221	455824928	/nfs/dbraw/zinc/82/49/28/455824928.db2.gz	YRMRLKJXSVNPGE-OAHLLOKOSA-N	0	0	345.468	3.087	3	30		EGEFRN
C=C1C(=O)O[C@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000169290908	526891640	/nfs/dbraw/zinc/89/16/40/526891640.db2.gz	FKDIIXZIKCNXAT-MWYJBJKYSA-N	0	0	344.407	3.218	1	30		EGEFRN
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000003978315	560192342	/nfs/dbraw/zinc/19/23/42/560192342.db2.gz	XQOSNJUURCKQGN-QCGQZMEDSA-N	0	0	344.451	3.197	3	30	in-vitro	EGEFRN
Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)CC#N)cn3)ccc12	ZINC000098083845	219080782	/nfs/dbraw/zinc/08/07/82/219080782.db2.gz	RYBGKUVPKJKBTL-UHFFFAOYSA-N	0	0	335.319	3.141	1	30		EGEFRN
C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@H](C=O)C1C(=O)OCC	ZINC000100038007	219089008	/nfs/dbraw/zinc/08/90/08/219089008.db2.gz	VXGKJYZITFFGRK-GBUWSYLDSA-N	0	0	343.379	3.057	1	30		EGEFRN
C[C@]12CC/C(=N/O)C[C@H]1/C(=N\O)C[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]12	ZINC000071341356	215763891	/nfs/dbraw/zinc/76/38/91/215763891.db2.gz	WWRFWQRYZRAEGQ-BYTIAREESA-N	0	0	347.459	3.168	1	30		EGEFRN
CCCC[C@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1	ZINC000072139628	216026112	/nfs/dbraw/zinc/02/61/12/216026112.db2.gz	ZSNWEOFWQAALIR-JXBAWMBHSA-N	0	0	326.400	3.241	1	30		EGEFRN
N#Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1	ZINC000028884220	212642350	/nfs/dbraw/zinc/64/23/50/212642350.db2.gz	USEUWHHNJDYNIQ-UHFFFAOYSA-N	0	0	342.354	3.256	1	30		EGEFRN
C/N=C1\O/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C	ZINC000073139485	216354548	/nfs/dbraw/zinc/35/45/48/216354548.db2.gz	SOBPJLKGXARBHT-XXUJCTABSA-N	0	0	327.359	3.049	1	30		EGEFRN
CN(CCc1ccccc1)c1ncnc2c(C#N)c3n(c21)CCCC3	ZINC000013559618	211579009	/nfs/dbraw/zinc/57/90/09/211579009.db2.gz	LKWFUKQMAMJMOY-UHFFFAOYSA-N	0	0	331.423	3.318	1	30		EGEFRN
O=c1[nH]cccc1[C@](C#CC1CC1)(OCc1ccncc1)C(F)(F)F	ZINC000005932830	210560240	/nfs/dbraw/zinc/56/02/40/210560240.db2.gz	INJQBPWBVJPBDU-KRWDZBQOSA-N	0	0	348.324	3.158	1	30		EGEFRN
O=C(On1c(=O)c2ccccc2nc1-c1ccccc1)c1ccccc1	ZINC000004837865	210293722	/nfs/dbraw/zinc/29/37/22/210293722.db2.gz	IEBOUUKHPXPCCN-UHFFFAOYSA-N	0	0	342.354	3.333	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C[C@H]12	ZINC000169292847	526892404	/nfs/dbraw/zinc/89/24/04/526892404.db2.gz	HZAPTPBMBOIGCM-OUTSAHMNSA-N	0	0	334.456	3.443	1	30		EGEFRN
C[C@H](C=O)CCCCCCCCCC/C(=C/C(=O)[O-])CNC(N)=[NH2+]	ZINC000085510449	560073971	/nfs/dbraw/zinc/07/39/71/560073971.db2.gz	FGQSTEPCOKUMHJ-JORMNFRLSA-N	0	0	339.480	3.007	1	30	biogenic,in-vitro	EGEFRN
CCC(=O)O[C@@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000013328091	560214381	/nfs/dbraw/zinc/21/43/81/560214381.db2.gz	DLBQFLWCDFTEQG-HNNXBMFYSA-N	0	0	344.363	3.081	1	30	biogenic,in-vitro	EGEFRN
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F	ZINC000028765862	581096416	/nfs/dbraw/zinc/09/64/16/581096416.db2.gz	BANNGSDJUNVCOQ-CQSZACIVSA-N	0	0	342.292	3.181	1	30		EGEFRN
Cc1c(NN=C2C(=O)CCCC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000101679562	219155119	/nfs/dbraw/zinc/15/51/19/219155119.db2.gz	YNUZUYPGBODBTD-VHEBQXMUSA-N	0	0	326.356	3.091	1	30		EGEFRN
Cc1sc2c(c1C)C(=O)C(=CNc1ccncc1)S(=O)(=O)N2C	ZINC000101754191	219160933	/nfs/dbraw/zinc/16/09/33/219160933.db2.gz	AVSWNQJTMPAGHJ-CAOOACKPSA-N	0	0	349.437	3.169	1	30		EGEFRN
O=C1N/C(=N\c2ccccc2[N+](=O)[O-])S/C1=C\c1ccccc1	ZINC000103221218	219271258	/nfs/dbraw/zinc/27/12/58/219271258.db2.gz	JNRSRTBHPNEWPJ-UVTDQMKNSA-N	0	0	325.349	3.486	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000155826925	290986214	/nfs/dbraw/zinc/98/62/14/290986214.db2.gz	ITWYQAIFKHRKRR-UHLVMMOUSA-N	0	0	346.423	3.011	1	30	biogenic	EGEFRN
CC(C)=CCOc1ccc(/C=C/C(=O)SCCNC(C)=O)cc1	ZINC000040380627	213294838	/nfs/dbraw/zinc/29/48/38/213294838.db2.gz	XTHZRUQOVQTXRK-RMKNXTFCSA-N	0	0	333.453	3.441	1	30		EGEFRN
COc1cccc(/C=C2\CNC/C(=C\c3cccc(OC)c3)C2=O)c1	ZINC000039326804	213234147	/nfs/dbraw/zinc/23/41/47/213234147.db2.gz	PDYUNTKNISUYSH-BEQMOXJMSA-N	0	0	335.403	3.343	1	30		EGEFRN
C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccccc1O	ZINC000035995522	213054577	/nfs/dbraw/zinc/05/45/77/213054577.db2.gz	GPWDAZGNLCPQLR-VXLYETTFSA-N	0	0	330.413	3.358	1	30		EGEFRN
C[C@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2c(F)c(F)ccc2NC1=O	ZINC000029205484	212656604	/nfs/dbraw/zinc/65/66/04/212656604.db2.gz	BODHTLJYAHHWBX-GLEZIHRCSA-N	0	0	345.267	3.493	1	30		EGEFRN
COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@H](C#N)C1	ZINC000026154280	212508497	/nfs/dbraw/zinc/50/84/97/212508497.db2.gz	LITCGJWHJXCYGN-ZBFHGGJFSA-N	0	0	344.411	3.322	1	30		EGEFRN
O=C1c2ccccc2C2C1=NC(=S)N[C@H]2c1ccc(Cl)cc1	ZINC000017211121	211959877	/nfs/dbraw/zinc/95/98/77/211959877.db2.gz	JQSKACAPLXGGCU-AWEZNQCLSA-N	0	0	326.808	3.466	1	30		EGEFRN
Cc1ccc(Sc2cncc3sc(C(=O)N=C(N)N)cc32)cc1	ZINC000013862334	211652164	/nfs/dbraw/zinc/65/21/64/211652164.db2.gz	MJUWXLAGWHBLRX-UHFFFAOYSA-N	0	0	342.449	3.170	1	30		EGEFRN
N#Cc1c2nc3ccccc3n2c2ccccc2c1N1CCOCC1	ZINC000169339761	226546763	/nfs/dbraw/zinc/54/67/63/226546763.db2.gz	BTTAIHJWSSKZMG-UHFFFAOYSA-N	0	0	328.375	3.349	1	30		EGEFRN
COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000003213116	452748150	/nfs/dbraw/zinc/74/81/50/452748150.db2.gz	LYLUEUXBYYJESL-KRWDZBQOSA-N	0	0	344.411	3.043	3	30		EGEFRN
CC(C)C1=C[C@H](C=O)[C@@H]2C(OC(=O)[C@@]23CCCC(C)(C)[C@@H]3C=O)C1=O	ZINC000095914874	560055360	/nfs/dbraw/zinc/05/53/60/560055360.db2.gz	IKFUOVBMEQRIIS-UTIMDCKPSA-N	0	0	346.423	3.352	1	30	biogenic,in-vitro	EGEFRN
CO/N=C(/C(=O)N(C)C)c1ccccc1COc1cc(C)ccc1C	ZINC000103192493	219268243	/nfs/dbraw/zinc/26/82/43/219268243.db2.gz	ICYPKLQHOCZXQC-XUTLUUPISA-N	0	0	340.423	3.321	1	30		EGEFRN
N#Cc1ccc(-c2cnc3ccc(NCc4cccnc4)nn32)cc1	ZINC000040835963	213390907	/nfs/dbraw/zinc/39/09/07/213390907.db2.gz	IFIPOWAFURAJLX-UHFFFAOYSA-N	0	0	326.363	3.275	1	30		EGEFRN
C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2CO	ZINC000027564109	212565265	/nfs/dbraw/zinc/56/52/65/212565265.db2.gz	XYYGJBNQYUEXTK-DQAPRGMSSA-N	0	0	336.472	3.105	1	30		EGEFRN
C[C@]12C=CC(=O)C=C1CC[C@@H]1OC3(CC=C12)C(=O)c1ccccc1C3=O	ZINC000013651646	211600146	/nfs/dbraw/zinc/60/01/46/211600146.db2.gz	KTEXCJQLQFAWAR-RXVVDRJESA-N	0	0	346.382	3.385	1	30		EGEFRN
[NH2+]=C(Nc1ccc(C(=O)[O-])cc1)N1Cc2cccc3c2[C@H](CCC3)C1	ZINC000101745411	219160788	/nfs/dbraw/zinc/16/07/88/219160788.db2.gz	YBRWEQVIFARZHY-MRXNPFEDSA-N	0	0	335.407	3.267	1	30		EGEFRN
COc1cc(/C(=N/O)c2ccc3c(ccn3C)c2)cc(OC)c1OC	ZINC000040380629	213294891	/nfs/dbraw/zinc/29/48/91/213294891.db2.gz	VMIPKDPPBRDGPN-CZIZESTLSA-N	0	0	340.379	3.431	1	30		EGEFRN
N#Cc1c(N)nc(Sc2ccccc2N)c(C#N)c1-c1ccco1	ZINC000035143735	213010433	/nfs/dbraw/zinc/01/04/33/213010433.db2.gz	PLHGMZKWGASCHX-UHFFFAOYSA-N	0	0	333.376	3.401	1	30		EGEFRN
CCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCC=N1	ZINC000072101015	216008648	/nfs/dbraw/zinc/00/86/48/216008648.db2.gz	QUJPXJUBFUMCOB-SILNSSARSA-N	0	0	326.356	3.100	1	30		EGEFRN
CC(C)(C)[C@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1	ZINC000072177235	216065751	/nfs/dbraw/zinc/06/57/51/216065751.db2.gz	VZFNPGQXAMLZHT-RKZRJXCSSA-N	0	0	326.400	3.097	1	30		EGEFRN
Cc1ccc(Oc2ncccc2/C(=N/O)N2CCC=N2)c2c1CCC2	ZINC000072181882	216066975	/nfs/dbraw/zinc/06/69/75/216066975.db2.gz	NXYGLHYGVODEOZ-PYCFMQQDSA-N	0	0	336.395	3.498	1	30		EGEFRN
CCN1N=C(C)C[C@@]1(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000028710512	212632576	/nfs/dbraw/zinc/63/25/76/212632576.db2.gz	FZWDZMUTZBPXFF-HNNXBMFYSA-N	0	0	338.333	3.376	1	30		EGEFRN
Cc1cccc2oc(=O)c3c(c12)O[C@@H](C)[C@@]3(C)CC(=O)[C@@H]1OC1(C)C	ZINC000014950836	211774789	/nfs/dbraw/zinc/77/47/89/211774789.db2.gz	QMWJPFXMOOPDTD-PJFOTGOESA-N	0	0	342.391	3.277	1	30		EGEFRN
C#CCOc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl	ZINC000005112405	210391571	/nfs/dbraw/zinc/39/15/71/210391571.db2.gz	QAWLSTWQUFLACC-UHFFFAOYSA-N	0	0	333.746	3.235	1	30		EGEFRN
CC(=O)OC[C@@]12[C@H](CCC[C@]13CO3)C(C)(C)[C@H](C)C[C@@H]2OC(C)=O	ZINC000103288496	278219632	/nfs/dbraw/zinc/21/96/32/278219632.db2.gz	PZHIPRLWEBZWMY-DPFUCDOTSA-N	0	0	338.444	3.103	1	30		EGEFRN
C=C1C(=O)O[C@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000169290907	526891928	/nfs/dbraw/zinc/89/19/28/526891928.db2.gz	FKDIIXZIKCNXAT-SLFMQDIPSA-N	0	0	344.407	3.218	1	30	biogenic	EGEFRN
CC(C)(O)C#Cc1ccc2c(c1)NC(=O)CC(c1cccc(C#N)c1)=N2	ZINC000101097430	219116111	/nfs/dbraw/zinc/11/61/11/219116111.db2.gz	GPITVZAXPPGWDC-UHFFFAOYSA-N	0	0	343.386	3.144	1	30		EGEFRN
Cc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)C(=O)CCC2	ZINC000101903436	219171800	/nfs/dbraw/zinc/17/18/00/219171800.db2.gz	JUNPTWPKSPDLFV-UHFFFAOYSA-N	0	0	332.359	3.284	1	30		EGEFRN
C#CCN1c2cccc(Br)c2[C@]2(CC(C)=C[C@H](C)O2)C1=O	ZINC000066129669	215015236	/nfs/dbraw/zinc/01/52/36/215015236.db2.gz	WGRYDSIFMAFLON-YVEFUNNKSA-N	0	0	346.224	3.379	1	30		EGEFRN
C=CCOc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl	ZINC000103181497	219266400	/nfs/dbraw/zinc/26/64/00/219266400.db2.gz	DDNGFFXVCZUDNN-UHFFFAOYSA-N	0	0	333.697	3.095	1	30		EGEFRN
N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)cc2)o1	ZINC000040763480	213385127	/nfs/dbraw/zinc/38/51/27/213385127.db2.gz	MCIPAHHDNLJGBW-UHFFFAOYSA-N	0	0	336.351	3.012	1	30		EGEFRN
CCOc1ccc(Oc2ncc(C#C[C@@H](C)NC(C)=O)s2)cc1	ZINC000034985727	213004073	/nfs/dbraw/zinc/00/40/73/213004073.db2.gz	MMIUJCZQUWEPNG-GFCCVEGCSA-N	0	0	330.409	3.210	1	30		EGEFRN
Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)c(C)c1	ZINC000072101424	216008598	/nfs/dbraw/zinc/00/85/98/216008598.db2.gz	PXCPTZDODBPFSF-UZYVYHOESA-N	0	0	341.411	3.267	1	30		EGEFRN
C=CCOc1c2ccc(C(=O)NCc3ccc(C)cc3)cc2nn1C	ZINC000008762933	211001859	/nfs/dbraw/zinc/00/18/59/211001859.db2.gz	RJYAWOMHTCKFHD-UHFFFAOYSA-N	0	0	335.407	3.377	3	30		EGEFRN
COC(=O)c1cccc(COc2ccc3cc(C#N)c(=O)oc3c2)c1	ZINC000169304482	534266414	/nfs/dbraw/zinc/26/64/14/534266414.db2.gz	QCZUTXONRBBCCO-UHFFFAOYSA-N	0	0	335.315	3.030	1	30		EGEFRN
O=C1c2ccccc2[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N1[O-]	ZINC000066078272	215006834	/nfs/dbraw/zinc/00/68/34/215006834.db2.gz	XQWIAIUMIULJIW-CQSZACIVSA-N	0	0	335.281	3.403	1	30		EGEFRN
O=C(C#Cc1ccc(O)cc1)c1ccc(I)cc1	ZINC000066112052	215014027	/nfs/dbraw/zinc/01/40/27/215014027.db2.gz	FHTHLOGQBSIJHT-UHFFFAOYSA-N	0	0	348.139	3.231	1	30		EGEFRN
COc1ccc(N[C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1	ZINC000040402794	213298618	/nfs/dbraw/zinc/29/86/18/213298618.db2.gz	ULSOSJFIPXSKPO-FQEVSTJZSA-N	0	0	349.386	3.461	1	30		EGEFRN
CC/C(=N\NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000038822188	213226949	/nfs/dbraw/zinc/22/69/49/213226949.db2.gz	ZMGPFXFXHDLUPC-QGOAFFKASA-N	0	0	329.385	3.091	1	30		EGEFRN
COc1ccc(N2C(=O)c3c(c(O)cc(OC)c3C)[C@H]2CC=O)cc1	ZINC000028950947	212644986	/nfs/dbraw/zinc/64/49/86/212644986.db2.gz	IWAVQFPSVHLEGJ-CQSZACIVSA-N	0	0	341.363	3.008	1	30		EGEFRN
C=CCOC(=O)C1=C[C@H](c2ccccc2)[C@@H](CCCO)[C@H](OCC)O1	ZINC000013118556	211522713	/nfs/dbraw/zinc/52/27/13/211522713.db2.gz	QGKZZOHFEXCGJM-MBOZVWFJSA-N	0	0	346.423	3.165	3	30		EGEFRN
N/C(=N/O)c1cccc(-c2cccc(-c3cccc(/C(N)=N/O)c3)c2)c1	ZINC000096908124	218897134	/nfs/dbraw/zinc/89/71/34/218897134.db2.gz	ZMOCBTRWOBBASL-UHFFFAOYSA-N	0	0	346.390	3.210	1	30		EGEFRN
COc1cccc(/C=N/C[C@H](C)/N=C/c2cccc(OC)c2O)c1O	ZINC000100327689	454465678	/nfs/dbraw/zinc/46/56/78/454465678.db2.gz	VNNXSKFCDCTSTJ-ZSQLCQLFSA-N	0	0	342.395	3.042	1	30		EGEFRN
CN1C(=O)[C@H](CC(=O)NC2CCCCC2)SC1=Nc1ccccc1	ZINC000252640220	523725928	/nfs/dbraw/zinc/72/59/28/523725928.db2.gz	YRMRLKJXSVNPGE-HNNXBMFYSA-N	0	0	345.468	3.087	3	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000169300753	526891653	/nfs/dbraw/zinc/89/16/53/526891653.db2.gz	QFINJHBXXJQKPB-DCUQRRHKSA-N	0	0	346.423	3.010	1	30		EGEFRN
COc1cc(/C=C\C(=O)/C=C\c2ccc(O)c(OC)c2)ccc1O	ZINC000085852509	560066525	/nfs/dbraw/zinc/06/65/25/560066525.db2.gz	ISIMGBQRFXXNON-VHOZIDCHSA-N	0	0	326.348	3.411	1	30	endogenous,in-man	EGEFRN
C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000104370394	571842943	/nfs/dbraw/zinc/84/29/43/571842943.db2.gz	FKDIIXZIKCNXAT-HEUXHEFGSA-N	0	0	344.407	3.218	1	30	endogenous,in-man	EGEFRN
C#CCn1c(Cc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O	ZINC000049068616	213983565	/nfs/dbraw/zinc/98/35/65/213983565.db2.gz	SLHMZODZQTWRLA-UHFFFAOYSA-N	0	0	326.396	3.438	1	30		EGEFRN
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12	ZINC000101506686	219128975	/nfs/dbraw/zinc/12/89/75/219128975.db2.gz	YXTOBXGODMEKLL-GQSXVQPESA-N	0	0	332.440	3.317	1	30		EGEFRN
COC(=O)c1sc2cc(C#Cc3ccc(F)cc3)cnc2c1N	ZINC000066077100	215007140	/nfs/dbraw/zinc/00/71/40/215007140.db2.gz	KNWZXMUVHLYYPE-UHFFFAOYSA-N	0	0	326.352	3.204	1	30		EGEFRN
C#CCN1c2cccc(Br)c2[C@]2(OCCC=C[C@H]2C)C1=O	ZINC000066148530	215017235	/nfs/dbraw/zinc/01/72/35/215017235.db2.gz	GUVGFTQUWATYAW-PXAZEXFGSA-N	0	0	346.224	3.237	1	30		EGEFRN
Cc1cccc(C#C[C@]2(O)C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C)c1	ZINC000103287317	219283271	/nfs/dbraw/zinc/28/32/71/219283271.db2.gz	NEVVMIVMAQEBRF-WGMWDUQUSA-N	0	0	325.452	3.277	1	30		EGEFRN
CC#Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2	ZINC000038329812	290986821	/nfs/dbraw/zinc/98/68/21/290986821.db2.gz	ULNUXOQRWYVCCY-ADLMAVQZSA-N	0	0	326.348	3.379	1	30	biogenic,in-vitro	EGEFRN
CCCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1	ZINC000035812559	213050339	/nfs/dbraw/zinc/05/03/39/213050339.db2.gz	DDPNLUCBQHSHLI-UHFFFAOYSA-N	0	0	327.359	3.465	1	30		EGEFRN
O=C1c2ccccc2C2C1=NC(=S)N[C@@H]2c1ccc(Cl)cc1	ZINC000017211124	211960453	/nfs/dbraw/zinc/96/04/53/211960453.db2.gz	JQSKACAPLXGGCU-CQSZACIVSA-N	0	0	326.808	3.466	1	30		EGEFRN
N#Cc1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1	ZINC000013780936	211637698	/nfs/dbraw/zinc/63/76/98/211637698.db2.gz	CNCSHZYTZWUCAO-UHFFFAOYSA-N	0	0	338.754	3.496	1	30		EGEFRN
O=C(c1ccn(-c2ccc(/C=N/[O-])c([N+](=O)[O-])c2)c1)c1ccccc1	ZINC000169311962	226240515	/nfs/dbraw/zinc/24/05/15/226240515.db2.gz	QSRCHKWRYFMICX-YBFXNURJSA-N	0	0	335.319	3.425	1	30		EGEFRN
C/C1=C\C=C(/[C@@](C)(O)CO)C[C@@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169292897	527546608	/nfs/dbraw/zinc/54/66/08/527546608.db2.gz	NWBHMZVDIALTDH-SOEQMEFUSA-N	0	0	336.472	3.031	1	30		EGEFRN
O=C(C=Cc1ccc(O)cc1)CC(=O)C[C@@H](O)c1ccc(O)cc1	ZINC000103544444	560052260	/nfs/dbraw/zinc/05/22/60/560052260.db2.gz	KCCQFTTZQGVDFQ-YWSNXMGASA-N	0	0	326.348	3.246	1	30	biogenic,in-vitro	EGEFRN
COc1cc2c(c(O)c1CC=C(C)CC(=O)C=C(C)C)COC2=O	ZINC000015273798	571738965	/nfs/dbraw/zinc/73/89/65/571738965.db2.gz	IDSCVDJWBRGNKG-LFYBBSHMSA-N	0	0	330.380	3.485	1	30	endogenous,in-man	EGEFRN
CN(C)c1ccc(-c2cc(=O)c3cc(C#CCCO)ccc3o2)cc1	ZINC000100596158	219102995	/nfs/dbraw/zinc/10/29/95/219102995.db2.gz	ORWOONMICAVXBU-UHFFFAOYSA-N	0	0	333.387	3.260	3	30		EGEFRN
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](O)OC1=O	ZINC000064560792	214793058	/nfs/dbraw/zinc/79/30/58/214793058.db2.gz	AJJYJDWULCXJIR-JPWFWGLDSA-N	0	0	330.424	3.322	1	30		EGEFRN
N#Cc1cc(-c2c[nH]c3ncccc23)cc(N[C@H]2CC[C@H](O)CC2)n1	ZINC000101659282	219153328	/nfs/dbraw/zinc/15/33/28/219153328.db2.gz	SQJXCRCSAJZPMM-OTVXOJSOSA-N	0	0	333.395	3.212	1	30		EGEFRN
COC(=O)[C@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@H]2CC=C(C)C	ZINC000103237213	219273186	/nfs/dbraw/zinc/27/31/86/219273186.db2.gz	LUIKELAQLPRGNL-QRWLVFNGSA-N	0	0	344.407	3.424	1	30		EGEFRN
C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)O)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O	ZINC000040564929	213351468	/nfs/dbraw/zinc/35/14/68/213351468.db2.gz	XSFIVMKHHUNCGU-LCDBYBOQSA-N	0	0	330.468	3.428	1	30		EGEFRN
C[C@@H]1CC(=O)[C@]2(C)[C@@H](CC[C@@H]3O[C@@]32C)[C@]12C[C@@H](c1ccoc1)OC2=O	ZINC000095914789	290994720	/nfs/dbraw/zinc/99/47/20/290994720.db2.gz	UFHYOYGCHODDKI-FYWCTVKLSA-N	0	0	344.407	3.437	1	30	biogenic,in-vitro	EGEFRN
CN(C)c1ccc(C#Cc2ccc3cc(CCCO)oc(=O)c3c2)cc1	ZINC000036388906	213093791	/nfs/dbraw/zinc/09/37/91/213093791.db2.gz	LLUAAXCTJQDLLD-UHFFFAOYSA-N	0	0	347.414	3.184	3	30		EGEFRN
COc1ccc(C(=O)COC2=C(C)C(=O)C(=O)c3ccccc32)cc1	ZINC000072111162	216010434	/nfs/dbraw/zinc/01/04/34/216010434.db2.gz	LUWRNGRUZQLHGP-UHFFFAOYSA-N	0	0	336.343	3.091	1	30		EGEFRN
CCOC(=O)C(=O)C=CC(SCc1ccccc1)C(=O)OCC	ZINC000026660011	212529494	/nfs/dbraw/zinc/52/94/94/212529494.db2.gz	JWBKZDYKYDPKBM-GXOAGJTDSA-N	0	0	336.409	3.372	1	30		EGEFRN
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@@H]2O	ZINC000169290468	526892336	/nfs/dbraw/zinc/89/23/36/526892336.db2.gz	OASCGMGKXPPAEW-JHSRJFPESA-N	0	0	334.456	3.443	1	30		EGEFRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@@H](O)[C@@H](O)[C@@]3(C)CC[C@@H]21	ZINC000169356418	526896234	/nfs/dbraw/zinc/89/62/34/526896234.db2.gz	GVKVGOGUDSJCLX-XAYQJVIWSA-N	0	0	328.452	3.439	1	30		EGEFRN
C=CCNc1ccc(N2C(=O)[C@@H]3C[C@H](C)CC[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000004684083	210247930	/nfs/dbraw/zinc/24/79/30/210247930.db2.gz	RPXVFSXKBAUKST-KWCYVHTRSA-N	0	0	343.383	3.118	1	30		EGEFRN
CNC(=O)/C(=N/OC)c1ccccc1COc1ccccc1Cl	ZINC000103180609	219266362	/nfs/dbraw/zinc/26/63/62/219266362.db2.gz	LJPKEIUPKWNXFI-CAPFRKAQSA-N	0	0	332.787	3.016	1	30		EGEFRN
CN(/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1	ZINC000103190147	219267726	/nfs/dbraw/zinc/26/77/26/219267726.db2.gz	JOBKRGVKGRWJAH-CPNJWEJPSA-N	0	0	340.404	3.200	1	30		EGEFRN
Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(C#N)c4)C3)n2)o1	ZINC000103227018	219272135	/nfs/dbraw/zinc/27/21/35/219272135.db2.gz	JNWRTVZWGHBDDI-MRXNPFEDSA-N	0	0	331.379	3.306	1	30		EGEFRN
COc1ccc(/C=C(/C(=O)c2ccc(F)cc2F)n2cncn2)cc1	ZINC000103237253	219273895	/nfs/dbraw/zinc/27/38/95/219273895.db2.gz	YTPIMXUVVFPPPN-IUXPMGMMSA-N	0	0	341.317	3.446	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]12	ZINC000155804337	290986215	/nfs/dbraw/zinc/98/62/15/290986215.db2.gz	JMTACQPPCMADFS-COBBXBJXSA-N	0	0	346.423	3.010	1	30	biogenic	EGEFRN
COc1cc2c(c3c1CC[C@@](C)(CC(=O)C=C(C)C)O3)COC2=O	ZINC000040411097	213300637	/nfs/dbraw/zinc/30/06/37/213300637.db2.gz	VVVQVJCSSXMDGD-IBGZPJMESA-N	0	0	330.380	3.375	1	30		EGEFRN
CCCCCCCC(=O)N1CCN([C@@H](C#N)c2cccnc2)CC1	ZINC000038140133	213202597	/nfs/dbraw/zinc/20/25/97/213202597.db2.gz	HOSTVTZHWSJRGU-SFHVURJKSA-N	0	0	328.460	3.151	1	30		EGEFRN
N#Cc1c2nc3ccccc3n2c2ccccc2c1N1CC[C@@H](O)C1	ZINC000031896068	212755815	/nfs/dbraw/zinc/75/58/15/212755815.db2.gz	HNGVRYQZCVGLNG-CYBMUJFWSA-N	0	0	328.375	3.083	1	30		EGEFRN
CN(C)c1ccc(C#Cc2ncnc(N)c2Cc2ccccc2)cc1	ZINC000028646459	212629618	/nfs/dbraw/zinc/62/96/18/212629618.db2.gz	CJHFCPPVOVXGDE-UHFFFAOYSA-N	0	0	328.419	3.115	1	30		EGEFRN
COc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1O	ZINC000026146963	212507575	/nfs/dbraw/zinc/50/75/75/212507575.db2.gz	HHWPPPNVBSNMOF-JXMROGBWSA-N	0	0	327.380	3.372	1	30		EGEFRN
O/N=C/C1=NCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000073276078	216373257	/nfs/dbraw/zinc/37/32/57/216373257.db2.gz	LJUJGGALEIQGCB-AERZKKPOSA-N	0	0	339.239	3.398	1	30		EGEFRN
O=C(/C=C/c1cc(C(=O)c2ccccc2)cn1-c1ccccc1)NO	ZINC000013493188	211568146	/nfs/dbraw/zinc/56/81/46/211568146.db2.gz	BNSOSCKKJADEKN-VAWYXSNFSA-N	0	0	332.359	3.227	1	30		EGEFRN
C=CCn1c(NCC)nc2c(c1=O)C(C)(C)Cc1c(OC)cccc1-2	ZINC000095603512	218445148	/nfs/dbraw/zinc/44/51/48/218445148.db2.gz	UQKAESUOKFCZLK-UHFFFAOYSA-N	0	0	339.439	3.370	1	30		EGEFRN
CC1=C2[C@@H](O)C(=O)O[C@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000003978314	560192374	/nfs/dbraw/zinc/19/23/74/560192374.db2.gz	XQOSNJUURCKQGN-DUMWOWFSSA-N	0	0	344.451	3.197	3	30	in-vitro	EGEFRN
N=C(N)Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc21	ZINC000026980576	581097285	/nfs/dbraw/zinc/09/72/85/581097285.db2.gz	OHZKUBPASKSZOQ-UHFFFAOYSA-N	0	0	340.770	3.189	1	30		EGEFRN
C=C1CC[C@@](C)(C=O)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12	ZINC000101572266	219140438	/nfs/dbraw/zinc/14/04/38/219140438.db2.gz	UDXXPMHZVKAWCF-IERAJXIUSA-N	0	0	332.440	3.365	1	30		EGEFRN
C#Cc1csc(NC(=O)Cc2ccc(OC)cc2)c1C(=O)OCC	ZINC000066073812	215006432	/nfs/dbraw/zinc/00/64/32/215006432.db2.gz	DUBZBFMLYCNCJW-UHFFFAOYSA-N	0	0	343.404	3.096	1	30		EGEFRN
COC(=O)c1sc2cc(C#Cc3cccc(OC)c3)cnc2c1N	ZINC000066079652	215007681	/nfs/dbraw/zinc/00/76/81/215007681.db2.gz	IMDIGJRIGOMILI-UHFFFAOYSA-N	0	0	338.388	3.074	1	30		EGEFRN
CCCCCCCCCNC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043273685	213571744	/nfs/dbraw/zinc/57/17/44/213571744.db2.gz	BUYNCEPZKOMZCL-HNNXBMFYSA-O	0	0	331.477	3.013	1	30		EGEFRN
C/C(=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccnc1	ZINC000038823527	213227063	/nfs/dbraw/zinc/22/70/63/213227063.db2.gz	MOOVNTDJBILTCO-CIAFOILYSA-N	0	0	328.485	3.239	1	30		EGEFRN
COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)n1ccnc1	ZINC000072102728	216007916	/nfs/dbraw/zinc/00/79/16/216007916.db2.gz	KCMKDWQNNXCMMG-FXBPSFAMSA-N	0	0	338.367	3.380	1	30		EGEFRN
CC(C)C[C@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1	ZINC000072177237	216066661	/nfs/dbraw/zinc/06/66/61/216066661.db2.gz	BXTRNSNNNNYKSA-BYSWHYCGSA-N	0	0	326.400	3.097	1	30		EGEFRN
COc1ccc(C(=O)/C=C/C(=O)Nc2cc(OC)cc(OC)c2)cc1	ZINC000095587616	218441895	/nfs/dbraw/zinc/44/18/95/218441895.db2.gz	AQXPQGMTJIIWJQ-CMDGGOBGSA-N	0	0	341.363	3.090	1	30		EGEFRN
Cc1cccc(C)c1Cc1nc(N)nc(Nc2ccc(C#N)cc2)n1	ZINC000005931270	210560622	/nfs/dbraw/zinc/56/06/22/210560622.db2.gz	XLXOIDHGKDOHRV-UHFFFAOYSA-N	0	0	330.395	3.277	1	30		EGEFRN
COc1cc([S@](=O)c2cccc(N)c2C#N)cc(C(F)(F)F)c1	ZINC000005853310	210548944	/nfs/dbraw/zinc/54/89/44/210548944.db2.gz	NLDNQXYXLUCGOU-HSZRJFAPSA-N	0	0	340.326	3.335	1	30		EGEFRN
C/C(Cc1ccc2c(c1)OCO2)=N\N=c1\sc2ccccc2n1C	ZINC000005596281	210497931	/nfs/dbraw/zinc/49/79/31/210497931.db2.gz	WUIUEJAHVQHSOR-WMNPJARVSA-N	0	0	339.420	3.488	1	30		EGEFRN
C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)F	ZINC000096933552	218902014	/nfs/dbraw/zinc/90/20/14/218902014.db2.gz	OXFZNTJEIXZZHX-CYBMUJFWSA-N	0	0	328.362	3.487	1	30		EGEFRN
C=C1C(=O)O[C@@H]2C[C@@H]1[C@@H](O)C/C(C)=C\CC/C(C)=C\[C@@H](O)C[C@@H]2C	ZINC000169333387	526892602	/nfs/dbraw/zinc/89/26/02/526892602.db2.gz	GQTPRLWQZDUWKJ-QMBVSYKASA-N	0	0	334.456	3.299	1	30		EGEFRN
CC1=C2[C@@H](O)[C@@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O	ZINC000169339825	528095722	/nfs/dbraw/zinc/09/57/22/528095722.db2.gz	VZTKKBZCBOZPNT-YSCXQKKWSA-N	0	0	333.472	3.017	1	30		EGEFRN
O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccc(O)cc2)o1	ZINC000098083667	219080826	/nfs/dbraw/zinc/08/08/26/219080826.db2.gz	DRLIPRVOYFRVPC-VXLYETTFSA-N	0	0	333.303	3.299	1	30		EGEFRN
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000101944547	219174178	/nfs/dbraw/zinc/17/41/78/219174178.db2.gz	XGOKWSHFOHNKKP-VXLYETTFSA-N	0	0	333.351	3.219	1	30		EGEFRN
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cccc(-c2ncc(F)cn2)c1	ZINC000103251632	219275565	/nfs/dbraw/zinc/27/55/65/219275565.db2.gz	HTJUXGFUOHWOLU-KZNAEPCWSA-N	0	0	349.365	3.285	1	30		EGEFRN
COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@@H]21	ZINC000103273436	219281157	/nfs/dbraw/zinc/28/11/57/219281157.db2.gz	KHTQLWFDNBGZGX-CMKODMSKSA-N	0	0	327.424	3.109	1	30		EGEFRN
CCCCCCCCc1nc2c([nH]1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N21	ZINC000036243138	213078928	/nfs/dbraw/zinc/07/89/28/213078928.db2.gz	SUBAMCUSHNFRHM-KGLIPLIRSA-N	0	0	343.475	3.495	1	30		EGEFRN
Cc1ncc2n1[C@@H]1[C@H](N=C2Nc2c(C)cccc2Cl)C(C)=NN1C	ZINC000036187622	213075671	/nfs/dbraw/zinc/07/56/71/213075671.db2.gz	VVCCPVFLCHZEGL-NVXWUHKLSA-N	0	0	342.834	3.023	1	30		EGEFRN
Cc1ccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc1	ZINC000072186118	216066867	/nfs/dbraw/zinc/06/68/67/216066867.db2.gz	SKUCYRKSBVLAOW-ZPHPHTNESA-N	0	0	329.425	3.367	1	30		EGEFRN
CO[C@]12OC[C@@H](O)c3c(C)ccc(c31)C1=C(C2=O)C(C)(C)CCC1	ZINC000073279990	216372652	/nfs/dbraw/zinc/37/26/52/216372652.db2.gz	PRQPFHSCPMOHHX-VLIAUNLRSA-N	0	0	328.408	3.404	1	30		EGEFRN
O=C(Nc1n[nH]c(C2CCCCC2)n1)N1CCOC2(CCCC2)C1	ZINC000023429281	212376469	/nfs/dbraw/zinc/37/64/69/212376469.db2.gz	BAVDTKLRRGKAHU-UHFFFAOYSA-N	0	0	333.436	3.043	1	30		EGEFRN
C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O	ZINC000015049229	211792358	/nfs/dbraw/zinc/79/23/58/211792358.db2.gz	ASSMVNDLURCOIV-VIDBVHGYSA-N	0	0	334.456	3.443	1	30		EGEFRN
C/C(=C\[C@@H]1CC(C)=CC(=O)O1)[C@@H](O)CC[C@@H](C)C1=CC(=O)C(C)(C)O1	ZINC000096929318	218901604	/nfs/dbraw/zinc/90/16/04/218901604.db2.gz	MVGBWGQAUHVNGU-QUQBVAGWSA-N	0	0	348.439	3.234	1	30		EGEFRN
CC/C(=N\NC(=S)NC(C)C)c1cccc(Br)c1	ZINC000007040430	208574683	/nfs/dbraw/zinc/57/46/83/208574683.db2.gz	JZEIBEBBMYJDIJ-FOWTUZBSSA-N	0	0	328.279	3.436	1	30		EGEFRN
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)[C@H](C#N)C[C@]5(C)[C@H]3CC[C@@]21C	ZINC000118920076	221204255	/nfs/dbraw/zinc/20/42/55/221204255.db2.gz	JARKEVRMNQUONS-LPKXWGFCSA-N	0	0	343.467	3.230	1	30		EGEFRN
CNc1nc(N=NCc2ccc(OC)cc2)nc(Nc2ccccc2)n1	ZINC000033615542	522685316	/nfs/dbraw/zinc/68/53/16/522685316.db2.gz	RCJGVUUQTITKOR-NDENLUEZSA-N	0	0	349.398	3.112	1	30		EGEFRN
CCCC[C@@H](CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1	ZINC000013808908	581092649	/nfs/dbraw/zinc/09/26/49/581092649.db2.gz	YPLGVMIJHPJLRA-HNNXBMFYSA-N	0	0	335.425	3.068	1	30		EGEFRN
COCOc1cc(OC)ccc1C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000003965590	210096315	/nfs/dbraw/zinc/09/63/15/210096315.db2.gz	RXJXFVXIDAILKB-CLTKARDFSA-N	0	0	342.347	3.303	1	30		EGEFRN
COC(=O)c1ccccc1N=CC1C(=O)OC2(CCCCC2)OC1=O	ZINC000102744823	219227315	/nfs/dbraw/zinc/22/73/15/219227315.db2.gz	HZWZVBFELIODKK-YBFXNURJSA-N	0	0	345.351	3.179	1	30		EGEFRN
CC(C)C1=NN[C@](C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000028710435	212633191	/nfs/dbraw/zinc/63/31/91/212633191.db2.gz	KUIHXXRYHIPZIB-HNNXBMFYSA-N	0	0	338.333	3.280	1	30		EGEFRN
COc1cc2c(c(N)c1OC)C(=O)/C(=C/c1cc(C)c(N)c(C)c1)C2	ZINC000027555011	212564272	/nfs/dbraw/zinc/56/42/72/212564272.db2.gz	RGXOZQZWSSGGKF-VGOFMYFVSA-N	0	0	338.407	3.307	1	30		EGEFRN
O=S(=O)(N/N=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1	ZINC000013111596	211521793	/nfs/dbraw/zinc/52/17/93/211521793.db2.gz	FEZZNCVKHNHFSU-IUXPMGMMSA-N	0	0	347.198	3.445	3	30		EGEFRN
N#C[C@]12C(=N)O[C@@]3(CCCC[C@@H]31)O[C@H](c1ccccc1)C2(C#N)C#N	ZINC000013119926	211523670	/nfs/dbraw/zinc/52/36/70/211523670.db2.gz	WZLSMMJVGMRTON-OHDICMOHSA-N	0	0	332.363	3.195	1	30		EGEFRN
N#Cc1ccc(Nc2nc(N)nc(Cc3ccccc3Cl)n2)cc1	ZINC000005933917	210560126	/nfs/dbraw/zinc/56/01/26/210560126.db2.gz	ZXMDGTSSUICZLH-UHFFFAOYSA-N	0	0	336.786	3.313	1	30		EGEFRN
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](OC)C3)cc2)cc1	ZINC000096927977	218900482	/nfs/dbraw/zinc/90/04/82/218900482.db2.gz	QAVVOFASNQWWDE-NRFANRHFSA-N	0	0	349.430	3.346	1	30		EGEFRN
CC1C(=O)[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)C1=CCc1ccoc1	ZINC000015164707	560229018	/nfs/dbraw/zinc/22/90/18/560229018.db2.gz	VBIUKBOBRCNLBZ-CMKODMSKSA-N	0	0	330.424	3.484	1	30	biogenic,in-vitro	EGEFRN
CC(C)(C)c1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000045261745	581091717	/nfs/dbraw/zinc/09/17/17/581091717.db2.gz	ZCIZNPGXSRSRAR-UDWIEESQSA-N	0	0	330.453	3.251	1	30		EGEFRN
COc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2	ZINC000053243052	214172184	/nfs/dbraw/zinc/17/21/84/214172184.db2.gz	ZPRNRCIAFJFTQJ-CHHVJCJISA-N	0	0	327.292	3.228	1	30		EGEFRN
C[C@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1	ZINC000101487192	219128853	/nfs/dbraw/zinc/12/88/53/219128853.db2.gz	UFKAWKPRQKMKDU-FIKMJJSBSA-N	0	0	345.262	3.294	3	30		EGEFRN
O=C1CCCC2=C1[C@@H](c1cc3ccccc3[nH]c1=S)NC(=O)N2	ZINC000103283170	219282180	/nfs/dbraw/zinc/28/21/80/219282180.db2.gz	LDEJJYYZOOPTKZ-OAHLLOKOSA-N	0	0	325.393	3.258	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12	ZINC000155804196	290986209	/nfs/dbraw/zinc/98/62/09/290986209.db2.gz	SQRYPCTWZQIPKH-IUYSQWTASA-N	0	0	348.439	3.089	1	30	biogenic	EGEFRN
Cc1ncc2n1[C@@H]1[C@@H](N=C2Nc2c(C)cccc2Cl)C(C)=NN1C	ZINC000036187621	213076037	/nfs/dbraw/zinc/07/60/37/213076037.db2.gz	VVCCPVFLCHZEGL-DOTOQJQBSA-N	0	0	342.834	3.023	1	30		EGEFRN
COc1ccc(Oc2ncccc2/C(=N/O)N2CCSCC2)cc1	ZINC000072102491	216008009	/nfs/dbraw/zinc/00/80/09/216008009.db2.gz	RENPOTNULXOGFD-MNDPQUGUSA-N	0	0	345.424	3.067	1	30		EGEFRN
N#Cc1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1	ZINC000028864073	212640607	/nfs/dbraw/zinc/64/06/07/212640607.db2.gz	YYLNAQZDSMUFDW-UHFFFAOYSA-N	0	0	348.391	3.366	1	30		EGEFRN
CN(C)/C(=N\C#N)C1=CC(C)(C)Oc2ccc(Br)cc21	ZINC000026155121	212508642	/nfs/dbraw/zinc/50/86/42/212508642.db2.gz	ZCTGHORJLGHCQJ-JXAWBTAJSA-N	0	0	334.217	3.445	1	30		EGEFRN
C=C1CC[C@@H]2CCC3=C([C@](O)(C/C(C)=C\[C@@H](O)C1)OC3=O)C2(C)C	ZINC000169292579	526908824	/nfs/dbraw/zinc/90/88/24/526908824.db2.gz	NAXRGDYBDAKNAZ-AQHKOYNHSA-N	0	0	332.440	3.402	1	30		EGEFRN
C=C1[C@@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000015107397	574413744	/nfs/dbraw/zinc/41/37/44/574413744.db2.gz	RJNJFKDVPIFVPQ-UWZCCJDQSA-N	0	0	336.472	3.379	1	30	endogenous,in-man	EGEFRN
C/C1=C/CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1	ZINC000101368947	219123920	/nfs/dbraw/zinc/12/39/20/219123920.db2.gz	QERBULPKWCHSBH-MHNXOXIHSA-N	0	0	334.456	3.087	1	30		EGEFRN
C#CCN1c2cccc(Br)c2[C@@]2(OCCC=C[C@@H]2C)C1=O	ZINC000066148528	215016534	/nfs/dbraw/zinc/01/65/34/215016534.db2.gz	GUVGFTQUWATYAW-YVEFUNNKSA-N	0	0	346.224	3.237	1	30		EGEFRN
CN1[C@@H]2C[C@@H](OC(=O)[C@@H](c3ccccc3)C3CCCC3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103228793	219272916	/nfs/dbraw/zinc/27/29/16/219272916.db2.gz	NWXGNSBDKXVRMY-CFSBILQPSA-N	0	0	341.451	3.116	1	30		EGEFRN
CCN(c1ccccc1)C1=CC(=O)c2cnc3c(c2C1=O)C(=O)CCC3	ZINC000072106350	216009134	/nfs/dbraw/zinc/00/91/34/216009134.db2.gz	PUGINTUFIIDFHD-UHFFFAOYSA-N	0	0	346.386	3.390	1	30		EGEFRN
COc1cc(OC)c(/C=C2\Oc3cccc(O)c3C2=O)c(OC)c1	ZINC000072106666	216009370	/nfs/dbraw/zinc/00/93/70/216009370.db2.gz	FMSHJXCFSGFXRE-SXGWCWSVSA-N	0	0	328.320	3.034	1	30		EGEFRN
COc1cc2c(cc1OC)-c1[nH]nc(C#Cc3ccc(C#N)cc3)c1C2	ZINC000028954392	212646433	/nfs/dbraw/zinc/64/64/33/212646433.db2.gz	FLKCHEUCGSFQFD-UHFFFAOYSA-N	0	0	341.370	3.270	1	30		EGEFRN
O=c1[nH]cccc1[C@@](C#CC1CC1)(OCc1ccncc1)C(F)(F)F	ZINC000026839830	212536777	/nfs/dbraw/zinc/53/67/77/212536777.db2.gz	INJQBPWBVJPBDU-QGZVFWFLSA-N	0	0	348.324	3.158	1	30		EGEFRN
C=CCn1c(SCCO)nc2c(c1=O)C(C)(C)Cc1ccccc1-2	ZINC000095601792	218444678	/nfs/dbraw/zinc/44/46/78/218444678.db2.gz	AOHCMZRPMQFQST-UHFFFAOYSA-N	0	0	342.464	3.014	1	30		EGEFRN
CC1=C2[C@@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000003978316	560192376	/nfs/dbraw/zinc/19/23/76/560192376.db2.gz	XQOSNJUURCKQGN-QOLBWJLXSA-N	0	0	344.451	3.197	3	30	in-vitro	EGEFRN
C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000013337079	574413146	/nfs/dbraw/zinc/41/31/46/574413146.db2.gz	RJNJFKDVPIFVPQ-AYZDMQBWSA-N	0	0	336.472	3.379	1	30	endogenous,in-man	EGEFRN
CCc1nc(N)nc(N)c1C#C[C@H](C)c1ccc(-c2ccccc2)nc1	ZINC000169308651	529742130	/nfs/dbraw/zinc/74/21/30/529742130.db2.gz	JKSKINFMKRSXHC-AWEZNQCLSA-N	0	0	343.434	3.421	1	30		EGEFRN
COc1ccc2c(c1)[C@@H]1O[C@@H]1Cc1cc(OC)c(OC)c(OC)c1-2	ZINC000026727323	202147904	/nfs/dbraw/zinc/14/79/04/202147904.db2.gz	RQXHJSQFAREWIS-WBVHZDCISA-N	0	0	328.364	3.384	1	30		EGEFRN
CC1(C)C[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@@H]2O[C@@H]21	ZINC000026958394	202149794	/nfs/dbraw/zinc/14/97/94/202149794.db2.gz	RNPZBNBGFWAMBA-RDZIJCNDSA-N	0	0	328.195	3.315	1	30		EGEFRN
COC(=O)[C@H]1CC[C@@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000028758403	202176686	/nfs/dbraw/zinc/17/66/86/202176686.db2.gz	ZJOMBWSBLZDZAK-XVSWOPEYSA-N	0	0	331.456	3.074	1	30		EGEFRN
CCCCCCCCC#Cc1cc2cn(COCCO)c(=O)nc2o1	ZINC000043481798	202512359	/nfs/dbraw/zinc/51/23/59/202512359.db2.gz	NCCVHZLACWWWTK-UHFFFAOYSA-N	0	0	346.427	3.058	1	30		EGEFRN
CC(=O)O[C@H]1[C@@H]2O[C@@]2(C)CC/C=C(/C)C[C@H](OC(C)=O)[C@H]1C(C)C	ZINC000005831742	201665450	/nfs/dbraw/zinc/66/54/50/201665450.db2.gz	DRGFRBPYLMWXJS-UMXGHUHRSA-N	0	0	338.444	3.410	1	30		EGEFRN
CC(C)CCc1c(OCCCCC(=O)NO)ccc2c1OC(=O)CC2	ZINC000072181084	203182829	/nfs/dbraw/zinc/18/28/29/203182829.db2.gz	PGKHQKXYZJECTA-UHFFFAOYSA-N	0	0	349.427	3.181	1	30		EGEFRN
CC1=C2C(=O)c3ccccc3C(O)=C2C[C@@H](N2CCCCCC2=O)O1	ZINC000073294500	203262935	/nfs/dbraw/zinc/26/29/35/203262935.db2.gz	RXRDFYUMBDLZGP-RDJZCZTQSA-N	0	0	339.391	3.105	1	30		EGEFRN
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)c1ccc(C#N)cc1	ZINC000084705032	203537386	/nfs/dbraw/zinc/53/73/86/203537386.db2.gz	KGRFJDAIOMKASQ-SFHVURJKSA-N	0	0	335.407	3.265	1	30		EGEFRN
COc1cccc([C@H]2C3C(=O)c4ccccc4C3=NC(=S)N2C)c1	ZINC000101466590	204008331	/nfs/dbraw/zinc/00/83/31/204008331.db2.gz	UOCMRDFQMNTZKK-KRWDZBQOSA-N	0	0	336.416	3.164	1	30		EGEFRN
COC(=O)[C@@H]1C(=O)C=C(NCCc2ccccc2)C[C@@H]1c1ccccc1	ZINC000101632582	204015736	/nfs/dbraw/zinc/01/57/36/204015736.db2.gz	DNBYHSZIGXMJJJ-CTNGQTDRSA-N	0	0	349.430	3.248	1	30		EGEFRN
CNC(=O)/C(=N\OC)c1ccccc1COc1ccc(Cl)cc1	ZINC000103194060	204065645	/nfs/dbraw/zinc/06/56/45/204065645.db2.gz	CTXGCBYKELYXEM-SILNSSARSA-N	0	0	332.787	3.016	1	30		EGEFRN
N#Cc1cc2cnc(NCc3ccccc3)nc2n(C2CCCC2)c1=O	ZINC000103271563	204070695	/nfs/dbraw/zinc/07/06/95/204070695.db2.gz	KYDHZCWBKIXNLV-UHFFFAOYSA-N	0	0	345.406	3.390	1	30		EGEFRN
O=C1CO[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1	ZINC000000023592	208550500	/nfs/dbraw/zinc/55/05/00/208550500.db2.gz	STDUMDNEHXHPDZ-AWEZNQCLSA-N	0	0	329.705	3.480	1	30		EGEFRN
COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000003213114	452748937	/nfs/dbraw/zinc/74/89/37/452748937.db2.gz	LYLUEUXBYYJESL-QGZVFWFLSA-N	0	0	344.411	3.043	3	30		EGEFRN
CC(C)N(C(=O)COc1ccc(N2C=CC(=O)C[C@@H]2C)cc1)C(C)C	ZINC000028822204	534941205	/nfs/dbraw/zinc/94/12/05/534941205.db2.gz	PHBADEREQKCJBI-INIZCTEOSA-N	0	0	344.455	3.392	1	30		EGEFRN
C[C@@H](O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000070454536	571780397	/nfs/dbraw/zinc/78/03/97/571780397.db2.gz	OVQSVMZESAVYPN-MZAHLDQNSA-N	0	0	332.484	3.486	1	30	endogenous,in-man	EGEFRN
CCCc1cc(C#N)ccc1Nc1c(N[C@H](C)C(C)(C)C)c(=O)c1=O	ZINC000013806478	201917355	/nfs/dbraw/zinc/91/73/55/201917355.db2.gz	AVKULJALDNXPMJ-DFGOKKNXSA-N	0	0	339.439	3.365	1	30		EGEFRN
C=C1CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]2(C)[C@@H]1CCC1=CCOC1=O	ZINC000040394769	213297811	/nfs/dbraw/zinc/29/78/11/213297811.db2.gz	ROPZFDGMJDAXOR-LPWQTFTOSA-N	0	0	332.440	3.200	1	30	biogenic,in-vitro	EGEFRN
C[C@]1(CF)C=C(C(=S)NCCC#N)c2cc([N+](=O)[O-])ccc2O1	ZINC000026402326	202142365	/nfs/dbraw/zinc/14/23/65/202142365.db2.gz	DRQYNLODWXEJBU-OAHLLOKOSA-N	0	0	335.360	3.341	1	30		EGEFRN
O=C(Cc1ccc(F)cc1)Nc1ccc2cc(C(=O)NO)sc2c1	ZINC000028900017	202178176	/nfs/dbraw/zinc/17/81/76/202178176.db2.gz	FEGVBOWXHRVMSY-UHFFFAOYSA-N	0	0	344.367	3.341	1	30		EGEFRN
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)/C=C/CC(=O)OC	ZINC000072104333	216008519	/nfs/dbraw/zinc/00/85/19/216008519.db2.gz	KJHMKRHEJWSQIB-IUCDDXOCSA-N	0	0	347.411	3.404	1	30		EGEFRN
CCCCCCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1	ZINC000036338392	202322174	/nfs/dbraw/zinc/32/21/74/202322174.db2.gz	MIEAOZZHVJFVJY-UHFFFAOYSA-N	0	0	343.445	3.176	1	30	in-vivo	EGEFRN
Cc1cccc(C)c1Oc1ccc(=O)n(Nc2cccc(C#N)c2)n1	ZINC000072118060	203163572	/nfs/dbraw/zinc/16/35/72/203163572.db2.gz	ZDKMENWCNLYXAF-UHFFFAOYSA-N	0	0	332.363	3.399	1	30		EGEFRN
O/N=C(/c1cccnc1Oc1ccc2ccccc2c1)N1CCOCC1	ZINC000072142914	203168734	/nfs/dbraw/zinc/16/87/34/203168734.db2.gz	JEYXCVKJXGOSRN-QOCHGBHMSA-N	0	0	349.390	3.495	1	30		EGEFRN
O=C1Nc2ccccc2/C1=N/NC(=S)Nc1cccc2ccccc21	ZINC000073164982	203259214	/nfs/dbraw/zinc/25/92/14/203259214.db2.gz	JVSMSCIVLYMJSH-UHFFFAOYSA-N	0	0	346.415	3.483	1	30		EGEFRN
CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)C[C@@H](C)O[C@]431)C2=O	ZINC000073278525	203263273	/nfs/dbraw/zinc/26/32/73/203263273.db2.gz	REMHECGSDXLQKX-GECVKMDCSA-N	0	0	330.424	3.152	1	30		EGEFRN
COc1cccc([C@@H]2C3C(=O)c4ccccc4C3=NC(=S)N2C)c1	ZINC000101466586	204008061	/nfs/dbraw/zinc/00/80/61/204008061.db2.gz	UOCMRDFQMNTZKK-QGZVFWFLSA-N	0	0	336.416	3.164	1	30		EGEFRN
CC[C@]1(C)Cc2c(C#N)c(=N)n(-c3ccccc3)c(S)c2CO1	ZINC000101764433	204021208	/nfs/dbraw/zinc/02/12/08/204021208.db2.gz	OGVUZZWYJIJKIU-GOSISDBHSA-N	0	0	325.437	3.359	1	30		EGEFRN
COc1ccc(SCNC2=CC(=O)c3ccccc3C2=O)cc1	ZINC000103131091	204062539	/nfs/dbraw/zinc/06/25/39/204062539.db2.gz	IBGOUKPGFHALFL-UHFFFAOYSA-N	0	0	325.389	3.298	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CC/C=C(\C)CCC[C@H](C)[C@H]2O	ZINC000005922176	210559363	/nfs/dbraw/zinc/55/93/63/210559363.db2.gz	SQZQILNEYFKUMI-YSIFGUBHSA-N	0	0	334.456	3.299	1	30		EGEFRN
C=C(C)[C@H](O)Cc1c2c(ccc1O)[C@@H]1COc3cc(O)ccc3[C@@H]1O2	ZINC000015147356	571732828	/nfs/dbraw/zinc/73/28/28/571732828.db2.gz	LRCYZCCKRIVTHN-VPWXQRGCSA-N	0	0	340.375	3.187	1	30	endogenous,in-man	EGEFRN
CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(=NO)C3)cc1	ZINC000049110513	581091819	/nfs/dbraw/zinc/09/18/19/581091819.db2.gz	SEMWXURVIGHDAB-GASCZTMLSA-N	0	0	336.457	3.130	1	30		EGEFRN
C#Cc1cccc(Nc2nc3cc(C(N)=O)ccc3c3cncnc23)c1	ZINC000066112428	215013966	/nfs/dbraw/zinc/01/39/66/215013966.db2.gz	DAUPXNKUCWHZBK-UHFFFAOYSA-N	0	0	339.358	3.002	1	30		EGEFRN
c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@H]1C[C@@H]21	ZINC000027078902	202152020	/nfs/dbraw/zinc/15/20/20/202152020.db2.gz	DIPXECUEJUTKMY-OYRHEFFESA-N	0	0	332.447	3.441	1	30		EGEFRN
Cc1ccc(NC2=C(Cl)C(=O)c3sc(CO)cc3C2=O)cc1	ZINC000028520596	202171154	/nfs/dbraw/zinc/17/11/54/202171154.db2.gz	WCHMIJRSUKDAGK-UHFFFAOYSA-N	0	0	333.796	3.490	1	30		EGEFRN
N#CCCCn1c2ccccc2nc1Cn1c2ccccc2oc1=O	ZINC000028824372	202177909	/nfs/dbraw/zinc/17/79/09/202177909.db2.gz	SWBPAUQMPVHMNC-UHFFFAOYSA-N	0	0	332.363	3.296	1	30		EGEFRN
N#Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1	ZINC000034029504	202271010	/nfs/dbraw/zinc/27/10/10/202271010.db2.gz	XWCWKHBTXAFSRD-UHFFFAOYSA-N	0	0	344.374	3.101	1	30		EGEFRN
CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(O)c2)NC(=S)N1C	ZINC000034778317	202276885	/nfs/dbraw/zinc/27/68/85/202276885.db2.gz	JGBBILLMZPWNFU-QGZVFWFLSA-N	0	0	338.432	3.410	1	30	in-vivo	EGEFRN
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC(=O)C[C@@H](C(=O)OC)[C@@H]1CC3	ZINC000040576940	202455239	/nfs/dbraw/zinc/45/52/39/202455239.db2.gz	JSVYWQFZVYJDCP-JOJZBGMRSA-N	0	0	330.424	3.096	1	30		EGEFRN
C=C1[C@H](/C=C/C2=CC(=O)O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H]1O	ZINC000013330203	201056614	/nfs/dbraw/zinc/05/66/14/201056614.db2.gz	GHNHHZAECXQMOM-WXQGCQCLSA-N	0	0	332.440	3.114	1	30		EGEFRN
O=c1[nH]cccc1[C@](C#CC1CC1)(OCc1cccnc1)C(F)(F)F	ZINC000005932829	201362296	/nfs/dbraw/zinc/36/22/96/201362296.db2.gz	DPMJDHCVDUDNHY-KRWDZBQOSA-N	0	0	348.324	3.158	1	30		EGEFRN
COc1cccc([C@@H]2NC(=S)N(C)C3=C2C(=O)c2ccccc23)c1	ZINC000068152225	202956946	/nfs/dbraw/zinc/95/69/46/202956946.db2.gz	XYGCJFPIVHXCSK-INIZCTEOSA-N	0	0	336.416	3.164	1	30		EGEFRN
COc1ccc(OC)c(N=CC2C(=O)OC3(CCCCC3)OC2=O)c1	ZINC000101931886	204026515	/nfs/dbraw/zinc/02/65/15/204026515.db2.gz	XNSVTSBDYYWHER-YBFXNURJSA-N	0	0	347.367	3.410	1	30		EGEFRN
CNC(=O)/C(=N/OC)c1ccccc1COc1c(C)cc(C)cc1C	ZINC000103193971	204066477	/nfs/dbraw/zinc/06/64/77/204066477.db2.gz	JSUQPZPJECQDDK-RELWKKBWSA-N	0	0	340.423	3.287	1	30		EGEFRN
COC(=O)[C@@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@H]2CC=C(C)C	ZINC000103237215	204068625	/nfs/dbraw/zinc/06/86/25/204068625.db2.gz	LUIKELAQLPRGNL-FOIQADDNSA-N	0	0	344.407	3.424	1	30		EGEFRN
N#Cc1cc2cnc(Nc3ccccc3O)nc2n(C2CCCC2)c1=O	ZINC000103271570	204070791	/nfs/dbraw/zinc/07/07/91/204070791.db2.gz	AZGUWSCGQNQMOK-UHFFFAOYSA-N	0	0	347.378	3.227	1	30		EGEFRN
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=[NH+]C[C@@H]1CCCO1	ZINC000102908993	204055434	/nfs/dbraw/zinc/05/54/34/204055434.db2.gz	ZAKOOGVJWGMVEO-SLDJAQPHSA-N	0	0	331.391	3.267	1	30		EGEFRN
O=C(NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000169334564	206552629	/nfs/dbraw/zinc/55/26/29/206552629.db2.gz	RICQZTPPHHRVDM-UHFFFAOYSA-N	0	0	343.338	3.500	1	30		EGEFRN
c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@H]1C[C@H]21	ZINC000027078909	202151873	/nfs/dbraw/zinc/15/18/73/202151873.db2.gz	DIPXECUEJUTKMY-NHCUHLMSSA-N	0	0	332.447	3.441	1	30		EGEFRN
COc1ccc(-n2c(SCC#N)nc3scc(C)c3c2=O)cc1	ZINC000028948929	202179569	/nfs/dbraw/zinc/17/95/69/202179569.db2.gz	WZWRAHCMVDXPGW-UHFFFAOYSA-N	0	0	343.433	3.380	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CC/C=C(/C)CCC[C@H](C)[C@H]2O	ZINC000034172714	212975038	/nfs/dbraw/zinc/97/50/38/212975038.db2.gz	SQZQILNEYFKUMI-OPHHJKKWSA-N	0	0	334.456	3.299	1	30		EGEFRN
CC(C)(C)c1cc(-c2nnc(NC(=N)N)s2)cc(C(C)(C)C)c1O	ZINC000036126891	202316975	/nfs/dbraw/zinc/31/69/75/202316975.db2.gz	NWSJNXMRDTXLLZ-UHFFFAOYSA-N	0	0	347.488	3.411	1	30		EGEFRN
Cc1sc2c(c1C)C(=O)C(=CNc1ccccn1)S(=O)(=O)N2C	ZINC000101869963	204024782	/nfs/dbraw/zinc/02/47/82/204024782.db2.gz	DMEPTUAMSVMRKH-CAOOACKPSA-N	0	0	349.437	3.169	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(/C)[C@H]2O	ZINC000195359156	534450326	/nfs/dbraw/zinc/45/03/26/534450326.db2.gz	IAWHPIHHKZYGDC-WXBVQTFBSA-N	0	0	332.440	3.221	1	30		EGEFRN
CC[C@H](Nc1c(Nc2ccc(C#N)cc2)c(=O)c1=O)c1ccccc1	ZINC000013806467	201917291	/nfs/dbraw/zinc/91/72/91/201917291.db2.gz	DHVGGTZGEINXLS-ONHQEKTCSA-N	0	0	331.375	3.129	1	30		EGEFRN
C=C1CC[C@@H]2CCC3=C([C@](O)(C/C(C)=C/[C@@H](O)C1)OC3=O)C2(C)C	ZINC000039350763	213233780	/nfs/dbraw/zinc/23/37/80/213233780.db2.gz	NAXRGDYBDAKNAZ-XBKCGROWSA-N	0	0	332.440	3.402	1	30		EGEFRN
CO[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1NC(=O)OC(C)(C)C	ZINC000029389343	202185393	/nfs/dbraw/zinc/18/53/93/202185393.db2.gz	FZFRPAGGYLEQCB-HUUCEWRRSA-N	0	0	332.400	3.310	1	30		EGEFRN
CCOc1ccccc1Oc1ncc(C#C[C@@H](C)NC(C)=O)s1	ZINC000036184994	213075488	/nfs/dbraw/zinc/07/54/88/213075488.db2.gz	PYQCVMJFBMJPEN-GFCCVEGCSA-N	0	0	330.409	3.210	1	30		EGEFRN
C=CCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2CC=C)cc1	ZINC000029409900	212665524	/nfs/dbraw/zinc/66/55/24/212665524.db2.gz	BJLMNVZFEXTEAW-UHFFFAOYSA-N	0	0	331.470	3.266	1	30		EGEFRN
C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)/C=C\CC(=O)OC	ZINC000072946506	216329372	/nfs/dbraw/zinc/32/93/72/216329372.db2.gz	KJHMKRHEJWSQIB-ZBWFSNBTSA-N	0	0	347.411	3.404	1	30		EGEFRN
COc1cc2c(cc1OC)-c1[nH]c3ccc(C#N)cc3c1CC(=O)N2	ZINC000001657669	201515869	/nfs/dbraw/zinc/51/58/69/201515869.db2.gz	TUMYZJPVQGGVEN-UHFFFAOYSA-N	0	0	333.347	3.218	1	30		EGEFRN
COC(=O)[C@@H]1C(=O)C=C(NCCc2ccccc2)C[C@H]1c1ccccc1	ZINC000101632576	204016137	/nfs/dbraw/zinc/01/61/37/204016137.db2.gz	DNBYHSZIGXMJJJ-FPOVZHCZSA-N	0	0	349.430	3.248	1	30		EGEFRN
C/C=C/n1cc(C=CC(=O)C=C(O)C(=O)OCC)c2ccccc21	ZINC000101704890	204019873	/nfs/dbraw/zinc/01/98/73/204019873.db2.gz	FOKQJBCOOKXMNM-VVVHQUFHSA-N	0	0	325.364	3.237	1	30		EGEFRN
CCOC(=O)O/N=C1\c2ccccc2N\C1=C1\c2ccccc2NC1=O	ZINC000102937638	204056588	/nfs/dbraw/zinc/05/65/88/204056588.db2.gz	DCAOLFXIWCAPIM-HPBPSMLHSA-N	0	0	349.346	3.353	1	30		EGEFRN
C[C@@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O	ZINC000006494581	205127094	/nfs/dbraw/zinc/12/70/94/205127094.db2.gz	CXFITMZADXBGRR-VFZGTOFNSA-N	0	0	327.277	3.354	1	30		EGEFRN
C#CCN1c2cccc(Br)c2[C@]2(OCCC=C[C@@H]2C)C1=O	ZINC000066148535	215016336	/nfs/dbraw/zinc/01/63/36/215016336.db2.gz	GUVGFTQUWATYAW-SJCJKPOMSA-N	0	0	346.224	3.237	1	30		EGEFRN
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000019314944	202004574	/nfs/dbraw/zinc/00/45/74/202004574.db2.gz	QYRDETJDJSUQCM-FDCFBWIESA-N	0	0	341.363	3.397	1	30		EGEFRN
N#C[C@@H]1C(=O)NC2=C(CCc3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000026666352	202146283	/nfs/dbraw/zinc/14/62/83/202146283.db2.gz	XKSNMCMXEVQOCT-ZWKOTPCHSA-N	0	0	345.358	3.305	1	30		EGEFRN
CCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1	ZINC000027426895	202154967	/nfs/dbraw/zinc/15/49/67/202154967.db2.gz	IKJHPAOZXRMGAG-OVCLIPMQSA-N	0	0	328.320	3.208	1	30		EGEFRN
N=C(Nc1nc(-c2ccccn2)cc2ccccc21)c1cnccn1	ZINC000027552622	202156574	/nfs/dbraw/zinc/15/65/74/202156574.db2.gz	TYTPSCRYPYNZCL-UHFFFAOYSA-N	0	0	326.363	3.124	1	30		EGEFRN
CC(C)C[C@H](C(=O)NO)C(=O)NCc1cccc(-c2ccccc2)c1	ZINC000035269818	202292760	/nfs/dbraw/zinc/29/27/60/202292760.db2.gz	QJSRLRIQQRHWNE-SFHVURJKSA-N	0	0	340.423	3.138	1	30		EGEFRN
Cc1cccc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)c1	ZINC000071282316	203089814	/nfs/dbraw/zinc/08/98/14/203089814.db2.gz	UIAVBUKQDDJLRG-UHFFFAOYSA-N	0	0	332.403	3.080	1	30		EGEFRN
Cc1ccccc1N1CCN(C2=CC(=O)c3ccccc3C2=O)CC1	ZINC000071294970	203091246	/nfs/dbraw/zinc/09/12/46/203091246.db2.gz	ONHCKYXKMAZSLP-UHFFFAOYSA-N	0	0	332.403	3.080	1	30		EGEFRN
Cc1ccc(/C(=N/O)N2CCSC2)c(Oc2cccc(F)c2)n1	ZINC000072186195	203183422	/nfs/dbraw/zinc/18/34/22/203183422.db2.gz	QSYMPUAUYSHTPM-CYVLTUHYSA-N	0	0	333.388	3.464	1	30		EGEFRN
Cn1cc(-c2ccc(-c3nc4cc[nH]cc-4c(=O)c3C#N)cc2)cn1	ZINC000073311184	203262889	/nfs/dbraw/zinc/26/28/89/203262889.db2.gz	WDAXLBAKDGINEB-UHFFFAOYSA-N	0	0	327.347	3.275	1	30		EGEFRN
Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccc[nH]1	ZINC000095552577	203759943	/nfs/dbraw/zinc/75/99/43/203759943.db2.gz	AGBYYURFCQNPBT-XDHOZWIPSA-N	0	0	327.409	3.078	1	30		EGEFRN
CC(C)(C)Nc1nc2c(s1)Cc1cc(/C=C/C(=O)NO)ccc1-2	ZINC000096923419	203900679	/nfs/dbraw/zinc/90/06/79/203900679.db2.gz	BPCMHNKKKFVHQM-FNORWQNLSA-N	0	0	329.425	3.443	1	30		EGEFRN
CC(C)CC1=C(Br)c2nc3ccccn3c2C(=O)C1=O	ZINC000103275977	204071370	/nfs/dbraw/zinc/07/13/70/204071370.db2.gz	FVUBKPQWWBEGTP-UHFFFAOYSA-N	0	0	333.185	3.252	1	30		EGEFRN
CCc1cc(C#N)ccc1Nc1c(N[C@H](C)C(C)(C)C)c(=O)c1=O	ZINC000103010241	204059265	/nfs/dbraw/zinc/05/92/65/204059265.db2.gz	KDOHDKFUZYPGPN-LLVKDONJSA-N	0	0	325.412	3.307	1	30		EGEFRN
CS(=O)(=O)c1ccc(C2=C(C#Cc3ccccc3)C(=O)CC2)cc1	ZINC000012352366	581099610	/nfs/dbraw/zinc/09/96/10/581099610.db2.gz	SYCDCMGVFQIMAR-UHFFFAOYSA-N	0	0	336.412	3.258	1	30		EGEFRN
C=CCn1cc(C2=NS(=O)(=O)c3ccccc3N2)c2ccccc21	ZINC000073295806	216374398	/nfs/dbraw/zinc/37/43/98/216374398.db2.gz	XNNSMARWHYZVSS-UHFFFAOYSA-N	0	0	337.404	3.388	1	30		EGEFRN
CCOC(=O)C(C=Nc1cc(C)nn1-c1ccccc1)C(=O)OCC	ZINC000101937051	204027243	/nfs/dbraw/zinc/02/72/43/204027243.db2.gz	DYULNZITCSVEBQ-OISSKHQPSA-N	0	0	343.383	3.252	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C)CC/C=C(\C)CC/C=C(\C)[C@H]2O	ZINC000096903827	218897432	/nfs/dbraw/zinc/89/74/32/218897432.db2.gz	HVJGVUTXXJGUKC-CZAZWBCNSA-N	0	0	332.440	3.459	1	30		EGEFRN
[O-]/N=C(\CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1	ZINC000034577910	132388134	/nfs/dbraw/zinc/38/81/34/132388134.db2.gz	RNLQMKBRFVLIFI-HEHNFIMWSA-N	0	0	344.846	3.126	1	30		EGEFRN
N#Cc1cc2cccnc2nc1N1CCN(c2ccc(Cl)cc2)CC1	ZINC000028377340	135740682	/nfs/dbraw/zinc/74/06/82/135740682.db2.gz	ARXGKPLVLVQASH-UHFFFAOYSA-N	0	0	349.825	3.481	1	30		EGEFRN
C[C@@]12CN(NC(=O)c3ccc(Cl)cc3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C	ZINC000003105554	289230620	/nfs/dbraw/zinc/23/06/20/289230620.db2.gz	GICLVULQWFFDEX-HNONPPJISA-N	0	0	329.831	3.389	1	30		EGEFRN
COC(=O)c1cc2nc(-c3ccc(F)cc3C#N)[nH]c2cc1OC	ZINC000587158598	1298053408	/nfs/dbraw/zinc/05/34/08/1298053408.db2.gz	PISIYDRXFSFQFX-UHFFFAOYSA-N	0	0	325.299	3.036	1	30		EGEFRN
C=C[C@H]1C[N+]2([O-])CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21	ZINC000031168725	717119468	/nfs/dbraw/zinc/11/94/68/717119468.db2.gz	WVDIZKMXQMCCAA-AQICNOTRSA-N	0	0	340.423	3.186	1	30		EGEFRN
COCCNc1nc(-c2ccc(C#N)s2)nc2c1ncn2C(C)C	ZINC000014947373	201944244	/nfs/dbraw/zinc/94/42/44/201944244.db2.gz	MPDZPANBPHWFQF-UHFFFAOYSA-N	0	0	342.428	3.066	1	30		EGEFRN
COc1cc(C(=O)n2ccc3cc(C#N)ccc32)cc(OC)c1OC	ZINC000028389051	202170812	/nfs/dbraw/zinc/17/08/12/202170812.db2.gz	BUAIZYJPADFUBI-UHFFFAOYSA-N	0	0	336.347	3.227	1	30		EGEFRN
CCCC1=NN[C@](C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000028710449	202174993	/nfs/dbraw/zinc/17/49/93/202174993.db2.gz	JYMBBNZVFWBYEZ-HNNXBMFYSA-N	0	0	338.333	3.424	1	30		EGEFRN
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4C#N)cc3c21	ZINC000028901989	202178472	/nfs/dbraw/zinc/17/84/72/202178472.db2.gz	QBBJUOOPQOTTLK-LLVKDONJSA-N	0	0	344.374	3.139	1	30		EGEFRN
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000035965434	213052762	/nfs/dbraw/zinc/05/27/62/213052762.db2.gz	YXTOBXGODMEKLL-PDXUZGLRSA-N	0	0	332.440	3.317	1	30		EGEFRN
C=C1[C@@H](O)CC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1O	ZINC000013484107	201056404	/nfs/dbraw/zinc/05/64/04/201056404.db2.gz	QLIQMMRUUKMPEX-BONLNXOASA-N	0	0	334.456	3.338	1	30		EGEFRN
COc1cc(OC)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1	ZINC000029133067	201388413	/nfs/dbraw/zinc/38/84/13/201388413.db2.gz	JVOXGQQMPCSFBL-GQCTYLIASA-N	0	0	342.347	3.337	1	30		EGEFRN
CSc1ccccc1Oc1ncccc1/C(=N/O)N1CCOCC1	ZINC000072102403	203162319	/nfs/dbraw/zinc/16/23/19/203162319.db2.gz	MHRCKCLVKJBAFO-MNDPQUGUSA-N	0	0	345.424	3.064	1	30		EGEFRN
O/N=C(/c1ccc(Oc2ccc(-n3ccnc3)cc2)nc1)N1CC=CC1	ZINC000072101781	203162426	/nfs/dbraw/zinc/16/24/26/203162426.db2.gz	ILXYCSRYKNCFGZ-QOCHGBHMSA-N	0	0	347.378	3.067	1	30		EGEFRN
N#Cc1ccc(Nc2ccc(=O)n(Nc3ccc(C#N)cc3)c2)cc1	ZINC000072118584	203163985	/nfs/dbraw/zinc/16/39/85/203163985.db2.gz	LNECKTMXCFTFHC-UHFFFAOYSA-N	0	0	327.347	3.210	1	30		EGEFRN
Cc1cccc(C)c1Oc1ccc(=O)n(Nc2ccc(C#N)cc2)n1	ZINC000072118058	203164126	/nfs/dbraw/zinc/16/41/26/203164126.db2.gz	QHSWZQPEERODAN-UHFFFAOYSA-N	0	0	332.363	3.399	1	30		EGEFRN
CCC(=O)Cc1ccc(Oc2ncnc(N)c2/C=N/OC)cc1Cl	ZINC000072176792	203182521	/nfs/dbraw/zinc/18/25/21/203182521.db2.gz	HNKJECQKYXUJJG-ODCIPOBUSA-N	0	0	348.790	3.006	1	30		EGEFRN
COc1ccc(/C=C2\Nc3cc(OC)cc(OC)c3C2=O)c(OC)c1	ZINC000102120916	204031802	/nfs/dbraw/zinc/03/18/02/204031802.db2.gz	CCXZTCLYPSKTKP-CHHVJCJISA-N	0	0	341.363	3.370	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12	ZINC000169299951	526891725	/nfs/dbraw/zinc/89/17/25/526891725.db2.gz	PRUIDJLINDRLON-UFJFTQFGSA-N	0	0	332.440	3.461	1	30		EGEFRN
C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3ccccc3)([C@H]2OC)C1(C)C	ZINC000085546409	560070633	/nfs/dbraw/zinc/07/06/33/560070633.db2.gz	PSGRNASJIVXJTO-SAJDGTNDSA-N	0	0	328.452	3.414	1	30	biogenic,in-vitro	EGEFRN
CCCCCOc1ncccc1[C@@H](O)CC#CCCCC(=O)OC	ZINC000028526496	581097110	/nfs/dbraw/zinc/09/71/10/581097110.db2.gz	YEVFWPNBOURHOL-KRWDZBQOSA-N	0	0	333.428	3.421	1	30		EGEFRN
CO/N=C/CCC(F)(F)c1ccc([C@@H](C)[S@@](C)(=O)=NC#N)cn1	ZINC000103199364	219268471	/nfs/dbraw/zinc/26/84/71/219268471.db2.gz	ZEFPWRSXVTWVRD-RVLNDAECSA-N	0	0	344.387	3.226	1	30		EGEFRN
COc1cccc([C@H]2NC(=S)N(C)C3=C2C(=O)c2ccccc23)c1	ZINC000068152229	215282970	/nfs/dbraw/zinc/28/29/70/215282970.db2.gz	XYGCJFPIVHXCSK-MRXNPFEDSA-N	0	0	336.416	3.164	1	30		EGEFRN
C=C1[C@H](C/C=C2/CCOC2=O)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2C[C@@H]1O	ZINC000040875125	213396370	/nfs/dbraw/zinc/39/63/70/213396370.db2.gz	XDMURUTWTFRCDW-HQQVEHBJSA-N	0	0	332.440	3.198	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000104370385	219379631	/nfs/dbraw/zinc/37/96/31/219379631.db2.gz	QFINJHBXXJQKPB-LSRDGHEISA-N	0	0	346.423	3.010	1	30	in-man	EGEFRN
C[C@@H]1CN1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1	ZINC000072103376	216008693	/nfs/dbraw/zinc/00/86/93/216008693.db2.gz	GGGLEWWANZXYEH-HANYDDSZSA-N	0	0	341.264	3.270	1	30		EGEFRN
C=CCN1[C@@H](CC(C)C)COc2c(Cl)cccc2S1(=O)=O	ZINC000072139423	216026305	/nfs/dbraw/zinc/02/63/05/216026305.db2.gz	IGICDKOXDFTDKL-LBPRGKRZSA-N	0	0	329.849	3.324	1	30		EGEFRN
COC[C@@H](C)N/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1	ZINC000072182688	216067449	/nfs/dbraw/zinc/06/74/49/216067449.db2.gz	VERAARORQXOKHS-GFCCVEGCSA-N	0	0	347.440	3.356	1	30		EGEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000029571215	212673516	/nfs/dbraw/zinc/67/35/16/212673516.db2.gz	CTZZWWNXWHPDSK-LKFCYVNXSA-N	0	0	327.302	3.399	1	30		EGEFRN
C[C@H]1O[C@@](C#CC2CC2)(C(F)(F)F)c2c(F)c(F)ccc2NC1=O	ZINC000029205481	212657167	/nfs/dbraw/zinc/65/71/67/212657167.db2.gz	BODHTLJYAHHWBX-ANRSDYALSA-N	0	0	345.267	3.493	1	30		EGEFRN
Cc1ccc2c(c1CCC(=O)C(C)(C)O)C(=O)C(=O)C(C(C)C)=C2	ZINC000014693077	211753336	/nfs/dbraw/zinc/75/33/36/211753336.db2.gz	VDYQVYQVQLEJQY-UHFFFAOYSA-N	0	0	328.408	3.072	1	30	endogenous,in-man	EGEFRN
COCOc1cc(OC)ccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000008860548	211012227	/nfs/dbraw/zinc/01/22/27/211012227.db2.gz	FWWOBXXUALDLAJ-BJMVGYQFSA-N	0	0	343.335	3.482	1	30		EGEFRN
C=C(C)C[C@@]1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C	ZINC000036387727	135685626	/nfs/dbraw/zinc/68/56/26/135685626.db2.gz	IOVUVPYDXDWBDG-HXUWFJFHSA-N	0	0	339.391	3.463	3	30		EGEFRN
C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(\C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O	ZINC000169291720	526892678	/nfs/dbraw/zinc/89/26/78/526892678.db2.gz	ASSMVNDLURCOIV-XEOMULLXSA-N	0	0	334.456	3.443	1	30		EGEFRN
CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC1=O)O[C@@H](C)C4	ZINC000014765504	560225975	/nfs/dbraw/zinc/22/59/75/560225975.db2.gz	CEFJBQPEKNGIIU-FHZGZLOMSA-N	0	0	340.375	3.111	1	30	biogenic,in-vitro	EGEFRN
N#Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1	ZINC000049803802	214033309	/nfs/dbraw/zinc/03/33/09/214033309.db2.gz	PAXROASBZHVQDR-UHFFFAOYSA-N	0	0	336.366	3.432	1	30		EGEFRN
CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C	ZINC000058566733	214595288	/nfs/dbraw/zinc/59/52/88/214595288.db2.gz	PTGKTZIUIJTALG-CIJNOWTPSA-N	0	0	328.408	3.249	1	30		EGEFRN
O=C(/C=C1/C(=O)Nc2c1cccc2Br)c1cccnc1	ZINC000101412621	219126528	/nfs/dbraw/zinc/12/65/28/219126528.db2.gz	OWPAVLUZKPJKLG-YRNVUSSQSA-N	0	0	329.153	3.063	1	30		EGEFRN
C=C1[C@@H](O)CC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1O	ZINC000040762667	213384263	/nfs/dbraw/zinc/38/42/63/213384263.db2.gz	QLIQMMRUUKMPEX-MOSDKIRPSA-N	0	0	334.456	3.338	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)CC)=C/C[C@H]12	ZINC000040764414	213384270	/nfs/dbraw/zinc/38/42/70/213384270.db2.gz	VQRWOFINNQGFFG-DYZYWWSNSA-N	0	0	348.439	3.093	1	30		EGEFRN
S=C1N=NC(COc2ccccc2)N1N=CC=Cc1ccco1	ZINC000015986314	211873958	/nfs/dbraw/zinc/87/39/58/211873958.db2.gz	VXVVMRDWWQCBQD-KCTVJHQVSA-N	0	0	326.381	3.286	1	30		EGEFRN
C[C@@](O)(c1cccc(F)c1)c1ccnc(Nc2ccc(C#N)cc2)n1	ZINC000169310971	226240249	/nfs/dbraw/zinc/24/02/49/226240249.db2.gz	YOWNDUAYPNBXFX-LJQANCHMSA-N	0	0	334.354	3.487	1	30		EGEFRN
N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1	ZINC000036487790	274932190	/nfs/dbraw/zinc/93/21/90/274932190.db2.gz	MOOFYEJFXBSZGE-KFSYKRRRSA-N	0	0	334.210	3.475	1	30	endogenous,in-man	EGEFRN
COc1ccc(CN=Nc2snc(SC)c2C#N)cc1OC	ZINC000038199691	523460889	/nfs/dbraw/zinc/46/08/89/523460889.db2.gz	ZBKLKXXWAJJABZ-PXNMLYILSA-N	0	0	334.426	3.200	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000104370387	571842895	/nfs/dbraw/zinc/84/28/95/571842895.db2.gz	QFINJHBXXJQKPB-WTPTUAJTSA-N	0	0	346.423	3.010	1	30	endogenous,in-man	EGEFRN
COc1ccc2c(c1)occ(C#CCOC(=O)C1CCCCC1)c2=O	ZINC000064560800	214792669	/nfs/dbraw/zinc/79/26/69/214792669.db2.gz	RUHBMBCBDUNFIX-UHFFFAOYSA-N	0	0	340.375	3.277	1	30		EGEFRN
CC[C@H]1OC(C(C)=CCOc2ccc3ccc(=O)oc3c2)=CC1=O	ZINC000101268465	219120856	/nfs/dbraw/zinc/12/08/56/219120856.db2.gz	OJPRKWVJBFWARD-OQRGYWNNSA-N	0	0	326.348	3.380	1	30		EGEFRN
N#Cc1ccc(-c2csc3c2oc(N2CCOCC2)cc3=O)cc1	ZINC000101661791	219152935	/nfs/dbraw/zinc/15/29/35/219152935.db2.gz	JCAFTHWXIMLKCH-UHFFFAOYSA-N	0	0	338.388	3.230	1	30		EGEFRN
CC/C=C\C[C@H]1C(=O)C(I)=C[C@@H]1CC(=O)OC	ZINC000101674311	219154575	/nfs/dbraw/zinc/15/45/75/219154575.db2.gz	FZYXDMFUIFXKNT-BYIQDMNASA-N	0	0	348.180	3.040	1	30		EGEFRN
COc1cccc2c1C(=O)C1=C(NCCc3c4ccccc4[nH]c31)C2=O	ZINC000045317236	213724732	/nfs/dbraw/zinc/72/47/32/213724732.db2.gz	MYMDLDZJLNSCNW-UHFFFAOYSA-N	0	0	344.370	3.113	1	30		EGEFRN
C[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1	ZINC000040846290	213392885	/nfs/dbraw/zinc/39/28/85/213392885.db2.gz	ARIVJJXBYQCJFK-SFHVURJKSA-N	0	0	330.405	3.406	1	30		EGEFRN
O=S1(=O)C=C(OCc2ccccc2)[C@]2(CCc3ccccc3C2)O1	ZINC000040828935	213391994	/nfs/dbraw/zinc/39/19/94/213391994.db2.gz	QRRSGSDFJJCJRV-LJQANCHMSA-N	0	0	342.416	3.332	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12	ZINC000155804094	290986212	/nfs/dbraw/zinc/98/62/12/290986212.db2.gz	SQRYPCTWZQIPKH-HYGBMVELSA-N	0	0	348.439	3.089	1	30	biogenic	EGEFRN
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1C	ZINC000040395078	213297739	/nfs/dbraw/zinc/29/77/39/213297739.db2.gz	MCHBEHPBWGBBDV-XPTSAGLGSA-N	0	0	343.301	3.279	1	30		EGEFRN
CCCCCCCc1ccc(C(=O)O[C@H]2CC(=O)O[C@@H]2CO)cc1	ZINC000034799947	212989548	/nfs/dbraw/zinc/98/95/48/212989548.db2.gz	NCGVPHNVLGONPY-DLBZAZTESA-N	0	0	334.412	3.033	1	30		EGEFRN
COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC=CC2)cc1	ZINC000072102485	216008558	/nfs/dbraw/zinc/00/85/58/216008558.db2.gz	GENQEHXXMSTZNX-JZJYNLBNSA-N	0	0	325.368	3.199	1	30		EGEFRN
CC(C)CCc1c(OCCCCC(=O)NO)ccc2ccc(=O)oc21	ZINC000072179475	216066065	/nfs/dbraw/zinc/06/60/65/216066065.db2.gz	ZMPNJWYNAAHQCV-UHFFFAOYSA-N	0	0	347.411	3.436	1	30		EGEFRN
CO/N=C(\Cc1ccc(OC)cc1)c1ccc(OC)c(OC)c1OC	ZINC000072184678	216067393	/nfs/dbraw/zinc/06/73/93/216067393.db2.gz	HNVUVPILHDYIBF-CAPFRKAQSA-N	0	0	345.395	3.314	1	30		EGEFRN
CC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1	ZINC000000369488	209555754	/nfs/dbraw/zinc/55/57/54/209555754.db2.gz	JNDDVNLWXMUAJO-ICFOKQHNSA-N	0	0	338.816	3.138	1	30		EGEFRN
Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccccc2)n1	ZINC000029125622	212653208	/nfs/dbraw/zinc/65/32/08/212653208.db2.gz	UGNGYXRNKAYWJE-UHFFFAOYSA-N	0	0	329.403	3.279	1	30		EGEFRN
COc1cc(-c2c(C)c(C)nc(OC)c2C#N)cc(OC)c1OC	ZINC000013220965	211536725	/nfs/dbraw/zinc/53/67/25/211536725.db2.gz	WPBHISVYRNFNIR-UHFFFAOYSA-N	0	0	328.368	3.272	1	30		EGEFRN
C=CCOc1c2ccc(C(=O)NCCc3ccc(C)cc3)cc2nn1C	ZINC000008801889	211007400	/nfs/dbraw/zinc/00/74/00/211007400.db2.gz	JTCJTCKDSAFZNF-UHFFFAOYSA-N	0	0	349.434	3.419	3	30		EGEFRN
C=C(C)[C@@H](O)Cc1c2c(ccc1O)[C@H]1COc3cc(O)ccc3[C@@H]1O2	ZINC000015147358	571732842	/nfs/dbraw/zinc/73/28/42/571732842.db2.gz	LRCYZCCKRIVTHN-SYNHAJSKSA-N	0	0	340.375	3.187	1	30	endogenous,in-man	EGEFRN
CC(C)(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1	ZINC000013671711	581094720	/nfs/dbraw/zinc/09/47/20/581094720.db2.gz	KWPCQQHCIBCAQM-UHFFFAOYSA-N	0	0	326.396	3.403	1	30		EGEFRN
O=c1[nH]cccc1[C@@](C#CC1CC1)(OCc1ccccn1)C(F)(F)F	ZINC000026836134	581099534	/nfs/dbraw/zinc/09/95/34/581099534.db2.gz	HVSHQYWUWWRBQI-QGZVFWFLSA-N	0	0	348.324	3.158	1	30		EGEFRN
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12	ZINC000101576078	219141271	/nfs/dbraw/zinc/14/12/71/219141271.db2.gz	QUYPCWFVLDGRDN-YXWCGTORSA-N	0	0	332.440	3.317	1	30		EGEFRN
C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@@H]12	ZINC000102183248	219189862	/nfs/dbraw/zinc/18/98/62/219189862.db2.gz	SLFNZRXROGKMKG-DPCOETHOSA-N	0	0	346.423	3.010	1	30		EGEFRN
C=C1c2c(ncn(-c3ccc(Br)cc3)c2=O)OC1(C)C	ZINC000103252094	219275470	/nfs/dbraw/zinc/27/54/70/219275470.db2.gz	PEISFCJTCOJFDV-UHFFFAOYSA-N	0	0	333.185	3.179	1	30		EGEFRN
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cncnc2)cc1	ZINC000103251624	219275728	/nfs/dbraw/zinc/27/57/28/219275728.db2.gz	RUTKLVXFAATEKA-GUDVDZBRSA-N	0	0	331.375	3.146	1	30		EGEFRN
CC(=O)OC/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	ZINC000103275471	219281253	/nfs/dbraw/zinc/28/12/53/219281253.db2.gz	KSCYMHLRSJZRDJ-WJDWOHSUSA-N	0	0	325.320	3.424	1	30		EGEFRN
CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C	ZINC000036462993	213099917	/nfs/dbraw/zinc/09/99/17/213099917.db2.gz	POQLDVULDKRFNY-ZCRVARCLSA-N	0	0	330.468	3.406	1	30		EGEFRN
N#Cc1nc2c(ncn2-c2cccc(Cl)c2)c(NCC(F)F)n1	ZINC000036380043	213091916	/nfs/dbraw/zinc/09/19/16/213091916.db2.gz	CISOROIGAWOTSX-UHFFFAOYSA-N	0	0	334.717	3.018	1	30		EGEFRN
C#CCN1c2cccc(Br)c2[C@]2(CC(C)=C[C@@H](C)O2)C1=O	ZINC000036381976	213092750	/nfs/dbraw/zinc/09/27/50/213092750.db2.gz	WGRYDSIFMAFLON-SJKOYZFVSA-N	0	0	346.224	3.379	1	30		EGEFRN
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)OC	ZINC000072104332	216008174	/nfs/dbraw/zinc/00/81/74/216008174.db2.gz	KJHMKRHEJWSQIB-YPWKKJFASA-N	0	0	347.411	3.404	1	30		EGEFRN
CC1(C)Oc2ccc(C#N)cc2[C@@H]2[C@@H]1OCCN2C(=O)c1ccccc1	ZINC000027524048	212560222	/nfs/dbraw/zinc/56/02/22/212560222.db2.gz	UFMRRLAHTWRMTL-MOPGFXCFSA-N	0	0	348.402	3.312	1	30		EGEFRN
COc1ccc([C@H]2CC(=O)C(I)=CO2)cc1	ZINC000084669701	217630314	/nfs/dbraw/zinc/63/03/14/217630314.db2.gz	GCUUMESROSBGHR-GFCCVEGCSA-N	0	0	330.121	3.002	1	30		EGEFRN
C#C[C@]1(O)[C@@H](F)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3[C@@H](OC)C[C@@]21C	ZINC000006519484	210646030	/nfs/dbraw/zinc/64/60/30/210646030.db2.gz	UPCVHECNLOMHQH-YUDLKVPISA-N	0	0	344.426	3.186	1	30		EGEFRN
C[C@]12O[C@]13CC[C@H]1[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]1[C@@]3(C)C[C@@H](C#N)C2=O	ZINC000118920083	221204317	/nfs/dbraw/zinc/20/43/17/221204317.db2.gz	BVWBEKKUVJYZSX-AKCOXDRMSA-N	0	0	343.467	3.230	1	30		EGEFRN
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C\CC(=O)OC	ZINC000169299150	526684360	/nfs/dbraw/zinc/68/43/60/526684360.db2.gz	KJHMKRHEJWSQIB-AUDRJFNYSA-N	0	0	347.411	3.404	1	30		EGEFRN
C=C[C@H]1C[N+]2([O-])CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000031168722	717119543	/nfs/dbraw/zinc/11/95/43/717119543.db2.gz	WVDIZKMXQMCCAA-DXWSYWAZSA-N	0	0	340.423	3.186	1	30		EGEFRN
CC/C=C\C[C@H]1C(=O)C(I)=C[C@H]1CC(=O)OC	ZINC000101674304	219155020	/nfs/dbraw/zinc/15/50/20/219155020.db2.gz	FZYXDMFUIFXKNT-YVDHIRPGSA-N	0	0	348.180	3.040	1	30		EGEFRN
C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O	ZINC000101721401	219159098	/nfs/dbraw/zinc/15/90/98/219159098.db2.gz	ASSMVNDLURCOIV-CMABJPKZSA-N	0	0	334.456	3.443	1	30		EGEFRN
COc1cccc2c1C(=O)C(NCc1ccc(F)cc1)=C(C)C2=O	ZINC000103207767	219270024	/nfs/dbraw/zinc/27/00/24/219270024.db2.gz	IDJSJOGUJBZKDZ-UHFFFAOYSA-N	0	0	325.339	3.277	1	30		EGEFRN
Cc1c[nH]c(-c2ccc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2)n1	ZINC000103251635	219275369	/nfs/dbraw/zinc/27/53/69/219275369.db2.gz	WYVIUYWRSQDWCQ-KZNAEPCWSA-N	0	0	333.391	3.388	1	30		EGEFRN
CCOC(=O)/N=c1/sc(C#N)cn1-c1cccc(C(F)(F)F)c1	ZINC000103272202	219279947	/nfs/dbraw/zinc/27/99/47/219279947.db2.gz	UZPJOEHJESDSGY-XDHOZWIPSA-N	0	0	341.314	3.486	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12	ZINC000005641279	290986213	/nfs/dbraw/zinc/98/62/13/290986213.db2.gz	LQAWDKQOLJURMN-CZNQSSAKSA-N	0	0	346.423	3.011	1	30	biogenic	EGEFRN
CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)CO)n2)cc1	ZINC000038149362	213203666	/nfs/dbraw/zinc/20/36/66/213203666.db2.gz	AFOKUYNUCQYJRC-UHFFFAOYSA-N	0	0	345.487	3.118	1	30		EGEFRN
O=C(/C=C1/C(=O)Nc2cc(Br)ccc21)c1cccnc1	ZINC000071333044	215762883	/nfs/dbraw/zinc/76/28/83/215762883.db2.gz	IRRJNRULSGCVQV-KPKJPENVSA-N	0	0	329.153	3.063	1	30		EGEFRN
CC(C)C[C@@H](C(=O)NO)C(=O)NCc1cccc(-c2ccccc2)c1	ZINC000035269821	213016442	/nfs/dbraw/zinc/01/64/42/213016442.db2.gz	QJSRLRIQQRHWNE-GOSISDBHSA-N	0	0	340.423	3.138	1	30		EGEFRN
COc1cc2c(cc1OC)/C(=N/NC(=S)Nc1ccccc1)CC2	ZINC000073165266	216359912	/nfs/dbraw/zinc/35/99/12/216359912.db2.gz	ZJQRZHVAFSELTH-HMMYKYKNSA-N	0	0	341.436	3.341	1	30		EGEFRN
C=C(C)[C@@H](O)Cc1c2c(ccc1O)[C@H]1COc3cc(O)ccc3[C@H]1O2	ZINC000059729380	571770928	/nfs/dbraw/zinc/77/09/28/571770928.db2.gz	LRCYZCCKRIVTHN-OXFYSEKESA-N	0	0	340.375	3.187	1	30	endogenous,in-man	EGEFRN
CCCCS(=O)(=O)Nc1ccc2c(c1)/C(=N\O)c1ccccc1-2	ZINC000102936423	219242723	/nfs/dbraw/zinc/24/27/23/219242723.db2.gz	UICFBGNGAIMXNF-ZCXUNETKSA-N	0	0	330.409	3.435	1	30		EGEFRN
CNC(=O)/C(=N/OC)c1ccccc1COc1ccc(Cl)cc1C	ZINC000103193832	219268675	/nfs/dbraw/zinc/26/86/75/219268675.db2.gz	OECADYJORQOZBX-HEHNFIMWSA-N	0	0	346.814	3.324	1	30		EGEFRN
COc1ccc(CNC2=C(C)C(=O)c3cccc(OC)c3C2=O)cc1	ZINC000103207770	219270761	/nfs/dbraw/zinc/27/07/61/219270761.db2.gz	QQZWRPPHSRGBSY-UHFFFAOYSA-N	0	0	337.375	3.147	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@]3(C)O[C@@H]3[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000523042180	290986208	/nfs/dbraw/zinc/98/62/08/290986208.db2.gz	PTUHWOJINFJBSD-WWEUNOQHSA-N	0	0	346.423	3.250	1	30	biogenic	EGEFRN
COc1cccc(/C=C\C(=O)c2c(O)cc(OC)c(OC)c2OC)c1	ZINC000095913984	290994202	/nfs/dbraw/zinc/99/42/02/290994202.db2.gz	SLWWZJVAKSCKGD-HJWRWDBZSA-N	0	0	344.363	3.323	1	30	biogenic,in-vitro	EGEFRN
N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2ccnc2)c1	ZINC000038462825	213208809	/nfs/dbraw/zinc/20/88/09/213208809.db2.gz	PPRXFZNIKRYLIS-UHFFFAOYSA-N	0	0	345.391	3.401	1	30		EGEFRN
COC1=C[C@H](C(=O)N2CCCC2)[C@H](C)[C@@H](c2ccccc2)CC1=O	ZINC000036381828	213092694	/nfs/dbraw/zinc/09/26/94/213092694.db2.gz	ZMZVKUPDLOQCPL-PVAVHDDUSA-N	0	0	327.424	3.148	1	30		EGEFRN
NC(=S)N/N=C(\c1ccccc1)c1cccc(Br)c1	ZINC000036178646	213076288	/nfs/dbraw/zinc/07/62/88/213076288.db2.gz	WXJCIRAGCWQLAC-GHRIWEEISA-N	0	0	334.242	3.035	1	30		EGEFRN
C=CCNC(=O)[C@@H](CCCC)N(CC(C)(C)C)C(=O)c1cccnc1	ZINC000028952897	212646116	/nfs/dbraw/zinc/64/61/16/212646116.db2.gz	OWAPYSFGHSFWRN-QGZVFWFLSA-N	0	0	345.487	3.431	1	30		EGEFRN
C=CCN1N=C(c2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C1=O	ZINC000026572549	212526256	/nfs/dbraw/zinc/52/62/56/212526256.db2.gz	WIOFCDPOPOOQNI-GJZGRUSLSA-N	0	0	328.412	3.243	1	30		EGEFRN
O=C1c2ccccc2C(=O)C(n2cc(-c3ccccc3)nn2)=C1Cl	ZINC000084634718	217623953	/nfs/dbraw/zinc/62/39/53/217623953.db2.gz	QIAMDTATPYEOKA-UHFFFAOYSA-N	0	0	335.750	3.432	1	30		EGEFRN
CC(C)=CC[C@@]12OC[C@@H]3C[C@@H](C=C4C(=O)c5ccccc5O[C@]431)C2=O	ZINC000095592773	218442611	/nfs/dbraw/zinc/44/26/11/218442611.db2.gz	SLIFDTIWOXWVKF-FJAKRLOMSA-N	0	0	336.387	3.271	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C)CC/C=C(/C)CC/C=C(/C)[C@H]2O	ZINC000169298975	526892222	/nfs/dbraw/zinc/89/22/22/526892222.db2.gz	HVJGVUTXXJGUKC-AKUBYXMPSA-N	0	0	332.440	3.459	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000238780201	560040599	/nfs/dbraw/zinc/04/05/99/560040599.db2.gz	ZYKRXWIPMUJNME-OLQIGLHESA-N	0	0	346.423	3.010	1	30	biogenic	EGEFRN
Cc1ncc2n1[C@H]1[C@@H](N=C2Nc2c(C)cccc2Cl)C(C)=NN1C	ZINC000028385572	581094088	/nfs/dbraw/zinc/09/40/88/581094088.db2.gz	VVCCPVFLCHZEGL-RDJZCZTQSA-N	0	0	342.834	3.023	1	30		EGEFRN
CCOC(=O)[C@]1(O)C[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O1	ZINC000049803572	214032899	/nfs/dbraw/zinc/03/28/99/214032899.db2.gz	MYWNHTJAAOYSEQ-XOBRGWDASA-N	0	0	344.407	3.085	1	30		EGEFRN
CC(Nc1ccc2c(c1)nc(CO)n2C)=C1C(=O)CC(C)(C)CC1=O	ZINC000101466565	219128011	/nfs/dbraw/zinc/12/80/11/219128011.db2.gz	WPGAIHZDWZWZSJ-RGVLZGJSSA-N	0	0	341.411	3.359	1	30		EGEFRN
Cc1c(N=Cc2ccccc2Cl)c([O-])n(-c2ccccc2)[n+]1C	ZINC000101637869	219148989	/nfs/dbraw/zinc/14/89/89/219148989.db2.gz	DEWPWDDDYVSIMY-RONKMWSCSA-N	0	0	326.807	3.193	3	30		EGEFRN
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1	ZINC000101684035	219155717	/nfs/dbraw/zinc/15/57/17/219155717.db2.gz	QHKUIFVXVNUYHH-LVLBFHFTSA-N	0	0	339.351	3.098	1	30		EGEFRN
C=C1C(=O)c2ccccc2C(=O)C1OC1(C)C(=O)c2ccccc2C1=O	ZINC000066065908	215005866	/nfs/dbraw/zinc/00/58/66/215005866.db2.gz	DXQUZSASIDQOJP-UHFFFAOYSA-N	0	0	346.338	3.194	1	30		EGEFRN
C=CCCC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C	ZINC000066259111	215028416	/nfs/dbraw/zinc/02/84/16/215028416.db2.gz	MRBFEKXSTNCISG-INIZCTEOSA-N	0	0	328.364	3.385	1	30		EGEFRN
CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3cccc(C#N)c3)cc2C1	ZINC000035941922	213052982	/nfs/dbraw/zinc/05/29/82/213052982.db2.gz	ZPTQWHBZIDRECZ-IBGZPJMESA-N	0	0	340.448	3.020	1	30		EGEFRN
CCC(C)(C)N/C(=N\O)c1ccc(C)nc1OCc1ccccn1	ZINC000072180531	216065828	/nfs/dbraw/zinc/06/58/28/216065828.db2.gz	ABTLBDCRVZLMCX-UHFFFAOYSA-N	0	0	328.416	3.278	1	30		EGEFRN
CCOC(=O)c1c2cc(CC)ccn2c2c1C(=O)C(C)=C(C)C2=O	ZINC000073222964	216367184	/nfs/dbraw/zinc/36/71/84/216367184.db2.gz	GCLMLBZLGAXNRG-UHFFFAOYSA-N	0	0	325.364	3.394	1	30		EGEFRN
C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@]34C)[C@@H]1C/C(=N/O)C2=O	ZINC000073258911	216370616	/nfs/dbraw/zinc/37/06/16/216370616.db2.gz	KINBHFUHBUNAOF-AVSHRARQSA-N	0	0	343.427	3.351	1	30		EGEFRN
Cc1ccc2nc(NC(=O)CCCCCCC(=O)NO)sc2c1	ZINC000073402763	216384441	/nfs/dbraw/zinc/38/44/41/216384441.db2.gz	PZSZNTMUTACLMK-UHFFFAOYSA-N	0	0	335.429	3.389	1	30		EGEFRN
Cn1c2nc(C#CC3CCCC3)nc(N)c2nc1-c1cccc(F)c1	ZINC000013861462	211651629	/nfs/dbraw/zinc/65/16/29/211651629.db2.gz	JZGOLBTTWAAMMN-UHFFFAOYSA-N	0	0	335.386	3.293	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000104370390	571842863	/nfs/dbraw/zinc/84/28/63/571842863.db2.gz	QFINJHBXXJQKPB-MJIRQWJNSA-N	0	0	346.423	3.010	1	30	endogenous,in-man	EGEFRN
O=c1oc2ccccc2cc1-c1nnc(/N=C/c2cccc(O)c2)o1	ZINC000098085721	219081259	/nfs/dbraw/zinc/08/12/59/219081259.db2.gz	LWVZVMBNNAGZMD-VXLYETTFSA-N	0	0	333.303	3.299	1	30		EGEFRN
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC)cc2)cc1	ZINC000003419422	210033962	/nfs/dbraw/zinc/03/39/62/210033962.db2.gz	KOHOUFIOPQRAFS-AWNIVKPZSA-N	0	0	336.391	3.263	3	30		EGEFRN
O=C(CCCCCN1c2ccccc2Nc2ccccc2C1=O)NO	ZINC000036475901	213099539	/nfs/dbraw/zinc/09/95/39/213099539.db2.gz	DQKFCIDCLSWKGA-UHFFFAOYSA-N	0	0	339.395	3.456	1	30		EGEFRN
CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(-c3cccc(C#N)c3)cc2C1	ZINC000035941921	213052919	/nfs/dbraw/zinc/05/29/19/213052919.db2.gz	ZPTQWHBZIDRECZ-LJQANCHMSA-N	0	0	340.448	3.020	1	30		EGEFRN
CCOC(=O)c1nn(C)c(-c2cccc(Cl)c2)c1C#CC(C)(C)O	ZINC000084618856	217621790	/nfs/dbraw/zinc/62/17/90/217621790.db2.gz	NOVVNPHBHAOMBW-UHFFFAOYSA-N	0	0	346.814	3.040	1	30		EGEFRN
C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O	ZINC000169291719	526891839	/nfs/dbraw/zinc/89/18/39/526891839.db2.gz	ASSMVNDLURCOIV-GCCCRHBVSA-N	0	0	334.456	3.443	1	30		EGEFRN
CCOC(=O)[C@@]1(O)C[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O1	ZINC000049803573	214033226	/nfs/dbraw/zinc/03/32/26/214033226.db2.gz	MYWNHTJAAOYSEQ-VBKZILBWSA-N	0	0	344.407	3.085	1	30		EGEFRN
COC(=O)[C@H]1C(=O)C=C(NCCc2ccccc2)C[C@@H]1c1ccccc1	ZINC000101632579	219148548	/nfs/dbraw/zinc/14/85/48/219148548.db2.gz	DNBYHSZIGXMJJJ-TZIWHRDSSA-N	0	0	349.430	3.248	1	30		EGEFRN
CCCCCCCCCc1cc2cn(COCCO)c(=O)nc2o1	ZINC000043470287	213583426	/nfs/dbraw/zinc/58/34/26/213583426.db2.gz	UVZATQGYYPYZFZ-UHFFFAOYSA-N	0	0	336.432	3.249	1	30		EGEFRN
Cc1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-])cc1	ZINC000040845079	213393812	/nfs/dbraw/zinc/39/38/12/213393812.db2.gz	GRSRWFFYYXEFGY-UHFFFAOYSA-N	0	0	346.173	3.261	1	30		EGEFRN
NC(=S)N/N=C1/CCC[C@H](c2ccc(Br)cc2)C1	ZINC000040567051	213352492	/nfs/dbraw/zinc/35/24/92/213352492.db2.gz	QKWJTFCTYHFCFT-HPCMQXCGSA-N	0	0	326.263	3.296	1	30		EGEFRN
CCOc1ccc(Oc2cc(/C(=N/O)NCCSC)ccn2)cc1	ZINC000072102365	216008840	/nfs/dbraw/zinc/00/88/40/216008840.db2.gz	VAIGZKZNMPEXBS-UHFFFAOYSA-N	0	0	347.440	3.361	1	30		EGEFRN
COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC=N2)cc1	ZINC000072103148	216008058	/nfs/dbraw/zinc/00/80/58/216008058.db2.gz	VMQXWFQUXAGRIF-SILNSSARSA-N	0	0	326.356	3.018	1	30		EGEFRN
C=CCCN1[C@H](Cc2ccccc2)COc2ccccc2S1(=O)=O	ZINC000072134783	216024001	/nfs/dbraw/zinc/02/40/01/216024001.db2.gz	WRGHBLLQGREDKA-QGZVFWFLSA-N	0	0	343.448	3.257	1	30		EGEFRN
O=C1C=C(N2CC2)C(=O)c2ccc(-c3ccc4ccccc4c3)nc21	ZINC000026828286	212535285	/nfs/dbraw/zinc/53/52/85/212535285.db2.gz	DNHHBZFFJZMZJU-UHFFFAOYSA-N	0	0	326.355	3.480	1	30		EGEFRN
C=C(C)C[C@]1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C	ZINC000036387726	135685305	/nfs/dbraw/zinc/68/53/05/135685305.db2.gz	IOVUVPYDXDWBDG-FQEVSTJZSA-N	0	0	339.391	3.463	3	30		EGEFRN
O=c1[nH]cccc1[C@@](C#CC1CC1)(OCc1cccnc1)C(F)(F)F	ZINC000026840461	581099518	/nfs/dbraw/zinc/09/95/18/581099518.db2.gz	DPMJDHCVDUDNHY-QGZVFWFLSA-N	0	0	348.324	3.158	1	30		EGEFRN
CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(F)cc1	ZINC000103176287	219265813	/nfs/dbraw/zinc/26/58/13/219265813.db2.gz	XJBWIVULEODWGD-ZFJBLLOBSA-N	0	0	344.386	3.200	1	30		EGEFRN
COC1=C[C@@]23C[C@@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=O	ZINC000070455315	290990481	/nfs/dbraw/zinc/99/04/81/290990481.db2.gz	SXHVHWXETMBKPP-VPPZWFAISA-N	0	0	340.375	3.311	1	30	biogenic,in-vitro	EGEFRN
C=CCn1c(-c2cc3c(cc2C=O)OCO3)cc2ccccc2c1=O	ZINC000072114978	216011183	/nfs/dbraw/zinc/01/11/83/216011183.db2.gz	UQJVACSJHMVDJH-UHFFFAOYSA-N	0	0	333.343	3.396	1	30		EGEFRN
COCCN/C(=N\O)c1cccnc1Oc1ccc(C)c2c1CCC2	ZINC000072183687	216067056	/nfs/dbraw/zinc/06/70/56/216067056.db2.gz	KPXJPTQZQKURET-UHFFFAOYSA-N	0	0	341.411	3.043	1	30		EGEFRN
NC(N)=NC(=O)c1cc2c(cccc2-c2cc(F)cc(F)c2)s1	ZINC000028525542	212622541	/nfs/dbraw/zinc/62/25/41/212622541.db2.gz	FIAANMFVGOHIRY-UHFFFAOYSA-N	0	0	331.347	3.260	1	30		EGEFRN
CCOc1ccc(NC2=C(Cl)C(=O)c3cccnc3C2=O)cc1	ZINC000026015330	212505446	/nfs/dbraw/zinc/50/54/46/212505446.db2.gz	VOXCHXBITAQQPG-UHFFFAOYSA-N	0	0	328.755	3.422	1	30		EGEFRN
CCCCCCCC(=O)N1CCN([C@H](C#N)c2cccnc2)CC1	ZINC000038140134	213202212	/nfs/dbraw/zinc/20/22/12/213202212.db2.gz	HOSTVTZHWSJRGU-GOSISDBHSA-N	0	0	328.460	3.151	1	30		EGEFRN
CCCCCCCCCOC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043273684	717128507	/nfs/dbraw/zinc/12/85/07/717128507.db2.gz	NVKXGLKOMOGLKI-OAHLLOKOSA-O	0	0	332.461	3.440	1	30		EGEFRN
COCCNc1nc2ccsc2c(Nc2ccc(C#N)cc2)n1	ZINC000061927327	214686555	/nfs/dbraw/zinc/68/65/55/214686555.db2.gz	ZYYARGICHYSHQW-UHFFFAOYSA-N	0	0	325.397	3.365	3	30		EGEFRN
CCOC(=O)C1C(=O)C=C2COC(=O)C2[C@@H]1c1ccccc1Cl	ZINC000101007603	219113963	/nfs/dbraw/zinc/11/39/63/219113963.db2.gz	PRNXSFBPIPRLRI-MBUFOBGISA-N	0	0	334.755	3.056	1	30		EGEFRN
Cc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)no1	ZINC000004111822	210121770	/nfs/dbraw/zinc/12/17/70/210121770.db2.gz	KUJDMXAGUPQFSX-UHFFFAOYSA-N	0	0	341.392	3.231	1	30		EGEFRN
CC(=O)CSc1nc(-n2nc(C)cc2C)c2c(c1C#N)CCCC2	ZINC000066077893	215007090	/nfs/dbraw/zinc/00/70/90/215007090.db2.gz	LLKYZIZJWKBHAY-UHFFFAOYSA-N	0	0	340.452	3.316	1	30		EGEFRN
CNC(=O)/C(=N/OC)c1ccccc1COc1cccc(Cl)c1	ZINC000103180611	219266414	/nfs/dbraw/zinc/26/64/14/219266414.db2.gz	OJOAUYNODLSHSR-CAPFRKAQSA-N	0	0	332.787	3.016	1	30		EGEFRN
C=CCOc1cccc(Oc2ccccc2/C(=N\OC)C(=O)NC)c1	ZINC000103192953	219268655	/nfs/dbraw/zinc/26/86/55/219268655.db2.gz	JQUDFLMBGQNFBJ-DYTRJAOYSA-N	0	0	340.379	3.140	1	30		EGEFRN
CC(=O)ON=C1c2ccccc2N=C1C1C(=O)Nc2c1cccc2F	ZINC000040565993	213352092	/nfs/dbraw/zinc/35/20/92/213352092.db2.gz	NFIUKUJUBYCMTC-CJLVFECKSA-N	0	0	337.310	3.414	1	30		EGEFRN
Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccsc2)n1	ZINC000029125167	212652464	/nfs/dbraw/zinc/65/24/64/212652464.db2.gz	JSWWVKVEIOUATR-UHFFFAOYSA-N	0	0	335.432	3.340	1	30		EGEFRN
CCCCN1NNC(=NC(=O)Nc2c(C(C)C)cccc2C(C)C)N1	ZINC000027438645	212558440	/nfs/dbraw/zinc/55/84/40/212558440.db2.gz	KENWCOMAIBSJBT-UHFFFAOYSA-N	0	0	346.479	3.451	1	30		EGEFRN
C=C1C[C@H](C/C(C)=C/COc2ccc3ccc(=O)oc3c2O)OC1=O	ZINC000015212355	211808364	/nfs/dbraw/zinc/80/83/64/211808364.db2.gz	WWTBMZAWBGEHRW-OIOXUXFSSA-N	0	0	342.347	3.086	1	30		EGEFRN
CC(=O)NCC#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1	ZINC000012339887	211353271	/nfs/dbraw/zinc/35/32/71/211353271.db2.gz	OCTFOYVLLVCAJD-UHFFFAOYSA-N	0	0	330.409	3.210	1	30		EGEFRN
CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1	ZINC000008860632	211011767	/nfs/dbraw/zinc/01/17/67/211011767.db2.gz	WQOWZUHSEZTROA-LJQANCHMSA-N	0	0	342.347	3.262	3	30		EGEFRN
C=CCNC(=O)c1c(C)c(C(=O)OCC)n(Cc2ccccc2)c1C	ZINC000005054650	210376991	/nfs/dbraw/zinc/37/69/91/210376991.db2.gz	SWEMUWDNBPFHTJ-UHFFFAOYSA-N	0	0	340.423	3.246	1	30		EGEFRN
C=C1[C@@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000015107403	574413771	/nfs/dbraw/zinc/41/37/71/574413771.db2.gz	RJNJFKDVPIFVPQ-MICFHTSLSA-N	0	0	336.472	3.379	1	30	endogenous,in-man	EGEFRN
CCCCCCCCCOC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043273682	717128337	/nfs/dbraw/zinc/12/83/37/717128337.db2.gz	NVKXGLKOMOGLKI-HNNXBMFYSA-O	0	0	332.461	3.440	1	30		EGEFRN
Cc1ccccc1CNC(=O)c1cncc(-c2ccc(C#N)cc2)n1	ZINC000064446853	214786555	/nfs/dbraw/zinc/78/65/55/214786555.db2.gz	VYANEYBOMGSJQI-UHFFFAOYSA-N	0	0	328.375	3.254	1	30		EGEFRN
C/C1=C/CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1	ZINC000101391139	219125928	/nfs/dbraw/zinc/12/59/28/219125928.db2.gz	QERBULPKWCHSBH-HWLXXCBNSA-N	0	0	334.456	3.087	1	30		EGEFRN
Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O	ZINC000003820376	210077125	/nfs/dbraw/zinc/07/71/25/210077125.db2.gz	FNCCIRFBYGUBRQ-UHFFFAOYSA-N	0	0	344.349	3.378	1	30		EGEFRN
CO/N=C/CCC(F)(F)c1ccc([C@H](C)[S@](C)(=O)=NC#N)cn1	ZINC000103199359	219268445	/nfs/dbraw/zinc/26/84/45/219268445.db2.gz	ZEFPWRSXVTWVRD-LEUCORSMSA-N	0	0	344.387	3.226	1	30		EGEFRN
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncccn2)cc1	ZINC000103251628	219275670	/nfs/dbraw/zinc/27/56/70/219275670.db2.gz	OXSICLGZGMRVMF-KZNAEPCWSA-N	0	0	331.375	3.146	1	30		EGEFRN
C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@]23CCC[C@]1(C)C(=O)O3	ZINC000040933717	213401171	/nfs/dbraw/zinc/40/11/71/213401171.db2.gz	LLZLGNRWPHGJGY-VSKBKUQMSA-N	0	0	332.440	3.031	1	30		EGEFRN
COC1=C[C@@]23C[C@@H](C[C@@H](c4ccc5c(c4)OCO5)[C@@H]2C)OC3=CC1=O	ZINC000015249215	290990476	/nfs/dbraw/zinc/99/04/76/290990476.db2.gz	SXHVHWXETMBKPP-ZBQLUDKISA-N	0	0	340.375	3.311	1	30	biogenic,in-vitro	EGEFRN
CCCC[C@@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1	ZINC000072139627	216026046	/nfs/dbraw/zinc/02/60/46/216026046.db2.gz	ZSNWEOFWQAALIR-FCIGGOILSA-N	0	0	326.400	3.241	1	30		EGEFRN
N#Cc1c(=O)c2c[nH]ccc-2nc1-c1ccc(-c2cncnc2)cc1	ZINC000073315640	216377146	/nfs/dbraw/zinc/37/71/46/216377146.db2.gz	LWTMRJZFKUQMKZ-UHFFFAOYSA-N	0	0	325.331	3.331	1	30		EGEFRN
C=C1CC[C@H](O)C(=C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000015119072	211804227	/nfs/dbraw/zinc/80/42/27/211804227.db2.gz	DKAXGACCDFMXHY-ZZCQCBSDSA-N	0	0	332.440	3.076	1	30		EGEFRN
O=C1CNC(=O)C1=C(NCc1ccccc1)c1cccc2ccccc21	ZINC000169310884	226240399	/nfs/dbraw/zinc/24/03/99/226240399.db2.gz	RFKWYSKVSWGLNJ-MRCUWXFGSA-N	0	0	342.398	3.040	1	30		EGEFRN
CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1NCc1ccccc1	ZINC000101550726	219135444	/nfs/dbraw/zinc/13/54/44/219135444.db2.gz	YCTWGBCLWICOEP-IBGZPJMESA-N	0	0	343.448	3.369	1	30		EGEFRN
C/C(=N\O)c1c2cccc3c2n(c1-c1ccc(F)cc1)CCNC3=O	ZINC000101588770	219142884	/nfs/dbraw/zinc/14/28/84/219142884.db2.gz	STEFZCCRMOYRFA-SSDVNMTOSA-N	0	0	337.354	3.389	1	30		EGEFRN
CC/C=C\C[C@@H]1C(=O)C(I)=C[C@H]1CC(=O)OC	ZINC000101674307	219155324	/nfs/dbraw/zinc/15/53/24/219155324.db2.gz	FZYXDMFUIFXKNT-NDVXOHMPSA-N	0	0	348.180	3.040	1	30		EGEFRN
COC(=O)c1sc2cc(C#Cc3ccccc3F)cnc2c1N	ZINC000066102539	215011595	/nfs/dbraw/zinc/01/15/95/215011595.db2.gz	TUYHNFSMQVAFHH-UHFFFAOYSA-N	0	0	326.352	3.204	1	30		EGEFRN
NC(=S)N/N=C1/CCC[C@@H](c2ccc(Br)cc2)C1	ZINC000040567050	213352592	/nfs/dbraw/zinc/35/25/92/213352592.db2.gz	QKWJTFCTYHFCFT-YZWBREFASA-N	0	0	326.263	3.296	1	30		EGEFRN
C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)O)=CC[C@H]23)C[C@@H](O)C[C@@H]1O	ZINC000040564931	213351304	/nfs/dbraw/zinc/35/13/04/213351304.db2.gz	XSFIVMKHHUNCGU-IBUGJVPDSA-N	0	0	330.468	3.428	1	30		EGEFRN
O=C1c2c(cc(O)cc2O)O/C1=C\c1cccc(Br)c1	ZINC000040392882	213296748	/nfs/dbraw/zinc/29/67/48/213296748.db2.gz	ZVECIMOIOIAUMR-ACAGNQJTSA-N	0	0	333.137	3.477	1	30		EGEFRN
Cn1c2cc(C#N)sc2c2cnn(Cc3ccccc3F)c(=O)c21	ZINC000036379096	213092195	/nfs/dbraw/zinc/09/21/95/213092195.db2.gz	SMHBUEWLEDJPBO-UHFFFAOYSA-N	0	0	338.367	3.009	1	30		EGEFRN
NC(N)=NC(=O)c1cc2c(cccc2-c2cccc(F)c2F)s1	ZINC000028525534	212622335	/nfs/dbraw/zinc/62/23/35/212622335.db2.gz	KQJBQSFMOWUBMS-UHFFFAOYSA-N	0	0	331.347	3.260	1	30		EGEFRN
C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)[C@H](O)[C@]3(C)CC[C@@H]21	ZINC000017310814	211964822	/nfs/dbraw/zinc/96/48/22/211964822.db2.gz	GVKVGOGUDSJCLX-AUYGFBLUSA-N	0	0	328.452	3.439	1	30		EGEFRN
C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000012349508	211354720	/nfs/dbraw/zinc/35/47/20/211354720.db2.gz	GADRAPGGBTTXBC-KRWDZBQOSA-N	0	0	348.761	3.119	1	30		EGEFRN
COc1ccc(CN=Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1	ZINC000033704763	523457779	/nfs/dbraw/zinc/45/77/79/523457779.db2.gz	IFBWUVGRCCHEGR-ODLFYWEKSA-N	0	0	336.399	3.042	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC/C=C(/C)CC/C=C(/C)[C@@H]2O	ZINC000169369553	526891999	/nfs/dbraw/zinc/89/19/99/526891999.db2.gz	HVJGVUTXXJGUKC-JJQCLWCYSA-N	0	0	332.440	3.459	1	30		EGEFRN
C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000100780440	571833342	/nfs/dbraw/zinc/83/33/42/571833342.db2.gz	FKDIIXZIKCNXAT-XXGVJVJDSA-N	0	0	344.407	3.218	1	30	endogenous,in-man	EGEFRN
C[C@H](O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118936998	571846127	/nfs/dbraw/zinc/84/61/27/571846127.db2.gz	OVQSVMZESAVYPN-IXRZDXFDSA-N	0	0	332.484	3.486	1	30	endogenous,in-man	EGEFRN
CCCCCCCCS(=O)(=O)NCc1ccc(O)c(OC)c1	ZINC000038157249	1291402731	/nfs/dbraw/zinc/40/27/31/1291402731.db2.gz	OFIAVAVELIPYSE-UHFFFAOYSA-N	0	0	329.462	3.181	1	30		EGEFRN
COC(=O)c1cc2nc(-c3ccc(C#N)c(F)c3)[nH]c2cc1OC	ZINC000587143255	1298053934	/nfs/dbraw/zinc/05/39/34/1298053934.db2.gz	OJSAXYFPMYRNDI-UHFFFAOYSA-N	0	0	325.299	3.036	1	30		EGEFRN
CNC(=O)/C(=N/OC)c1ccccc1COc1ccc(Cl)c(C)c1	ZINC000103193950	219268121	/nfs/dbraw/zinc/26/81/21/219268121.db2.gz	SPFNPSXEKZDTTI-HEHNFIMWSA-N	0	0	346.814	3.324	1	30		EGEFRN
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cc(Cl)c2c(c1)OCCO2	ZINC000103251551	219275171	/nfs/dbraw/zinc/27/51/71/219275171.db2.gz	MMWFLIBCIOFXBI-BZUAXINKSA-N	0	0	345.782	3.114	1	30		EGEFRN
C=C1[C@@H]2CC(=O)[C@H]([C@@H](C)O)[C@H]2[C@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000095912092	290986534	/nfs/dbraw/zinc/98/65/34/290986534.db2.gz	RJNJFKDVPIFVPQ-WCJJETLUSA-N	0	0	336.472	3.379	1	30	biogenic,in-vitro	EGEFRN
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C	ZINC000103533920	290986814	/nfs/dbraw/zinc/98/68/14/290986814.db2.gz	YCTWRMSXONXESR-KXIGNHSDSA-N	0	0	340.375	3.009	1	30	biogenic,in-vitro	EGEFRN
O=S(=O)(CC#CCCCCC#CCO)c1ccc2ccccc2c1	ZINC000026665748	212529606	/nfs/dbraw/zinc/52/96/06/212529606.db2.gz	VHSVQKQXRURUPH-UHFFFAOYSA-N	0	0	340.444	3.173	1	30		EGEFRN
CC(C)Cc1nnc(NC(=O)N(C)Cc2cnc3ccccc3c2)[nH]1	ZINC000023311538	519451962	/nfs/dbraw/zinc/45/19/62/519451962.db2.gz	FICVQASEXZZJGO-UHFFFAOYSA-N	0	0	338.415	3.229	1	30		EGEFRN
C=C1[C@@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@@H]1OC(=O)CC(C)C	ZINC000015107406	574413767	/nfs/dbraw/zinc/41/37/67/574413767.db2.gz	RJNJFKDVPIFVPQ-CFZAHQCGSA-N	0	0	336.472	3.379	1	30	endogenous,in-man	EGEFRN
CC[C@@]1(C)Cc2c(C#N)c(=N)n(-c3ccccc3)c(S)c2CO1	ZINC000101764438	219163297	/nfs/dbraw/zinc/16/32/97/219163297.db2.gz	OGVUZZWYJIJKIU-SFHVURJKSA-N	0	0	325.437	3.359	1	30		EGEFRN
CCc1nc2c(o1)C(=O)C(Nc1ccccc1)=C(Br)C2=O	ZINC000045299834	213722487	/nfs/dbraw/zinc/72/24/87/213722487.db2.gz	YLZYYZUOXWGQDZ-UHFFFAOYSA-N	0	0	347.168	3.335	1	30		EGEFRN
C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(CC[C@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3	ZINC000040893319	213397445	/nfs/dbraw/zinc/39/74/45/213397445.db2.gz	GKZBZZYALRNEFE-IWCRVHLMSA-N	0	0	344.407	3.004	1	30		EGEFRN
C[C@@]12CCCN1C(=S)N(c1ccc(C#N)c(C(F)(F)F)c1)C2=O	ZINC000040752885	213381800	/nfs/dbraw/zinc/38/18/00/213381800.db2.gz	WGUFPLVNMDGDPZ-AWEZNQCLSA-N	0	0	339.342	3.063	1	30		EGEFRN
COc1cc(/C=C2\C(=O)ON=C2c2cccs2)ccc1OC(C)=O	ZINC000040685497	213369223	/nfs/dbraw/zinc/36/92/23/213369223.db2.gz	LSLRTDUVWHBJMX-WQLSENKSSA-N	0	0	343.360	3.027	1	30		EGEFRN
C[C@]12O[C@H]1CC[C@@H]1[C@@]2(C)C(=O)C[C@@H]2C(=O)O[C@@H](c3ccoc3)C[C@]21C	ZINC000095914788	290995756	/nfs/dbraw/zinc/99/57/56/290995756.db2.gz	ZFBBUECJBMIEED-MHMVHWBXSA-N	0	0	344.407	3.437	1	30	biogenic,in-vitro	EGEFRN
COc1ccc(-c2nc3ccccc3c(=S)n2OC(C)=O)cc1	ZINC000001650169	209774377	/nfs/dbraw/zinc/77/43/77/209774377.db2.gz	UAZKMQGIPVQUOG-UHFFFAOYSA-N	0	0	326.377	3.416	1	30		EGEFRN
C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccc(N)cc1	ZINC000038248342	213206923	/nfs/dbraw/zinc/20/69/23/213206923.db2.gz	FCDYQKRXRJQIMC-KEBDBYFISA-N	0	0	329.429	3.235	1	30		EGEFRN
N#Cc1nc2c(ncn2-c2cc(F)cc(F)c2)c(NC2CCCC2)n1	ZINC000036380039	213092160	/nfs/dbraw/zinc/09/21/60/213092160.db2.gz	SFJGXGNRDWINTR-UHFFFAOYSA-N	0	0	340.337	3.320	1	30		EGEFRN
O=C1C=C[C@]2(C=C1Cl)OC[C@@H](c1ccc(Br)cc1)O2	ZINC000096916786	218899456	/nfs/dbraw/zinc/89/94/56/218899456.db2.gz	PVIYZFTVSXTWBB-KBPBESRZSA-N	0	0	341.588	3.495	1	30		EGEFRN
C[C@@H]1N=C[C@]23C[C@@H](O)[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@@H]2CC[C@H]13	ZINC000118921497	221204027	/nfs/dbraw/zinc/20/40/27/221204027.db2.gz	IRJULQGCGHNQDS-RSOCUBRASA-N	0	0	325.452	3.334	1	30		EGEFRN
CC(C)[C@H]1CC(=O)C2=CC3=C(CO)C(=O)C(=O)C[C@@]3(C)CC[C@@]21C	ZINC000169309055	527757981	/nfs/dbraw/zinc/75/79/81/527757981.db2.gz	ZMQGQTKRCUHYLP-SMHULIPUSA-N	0	0	330.424	3.278	1	30		EGEFRN
Cc1ncc2n1[C@H]1[C@H](N=C2Nc2c(C)cccc2Cl)C(C)=NN1C	ZINC000028385577	581094063	/nfs/dbraw/zinc/09/40/63/581094063.db2.gz	VVCCPVFLCHZEGL-WBVHZDCISA-N	0	0	342.834	3.023	1	30		EGEFRN
COc1ccc(S(=O)(=O)[C@H](CCS)Cc2ccccc2)cc1	ZINC000028017254	581097668	/nfs/dbraw/zinc/09/76/68/581097668.db2.gz	KMLHPTCEMLILLL-QGZVFWFLSA-N	0	0	336.478	3.400	1	30		EGEFRN
C/C=C/Cn1cc(C=CC(=O)C=C(O)C(=O)OCC)c2ccccc21	ZINC000101704883	219157831	/nfs/dbraw/zinc/15/78/31/219157831.db2.gz	VPCJTNOUEHPTCP-SALZOXGJSA-N	0	0	339.391	3.322	1	30		EGEFRN
CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(F)cc1	ZINC000103176289	219265746	/nfs/dbraw/zinc/26/57/46/219265746.db2.gz	XJBWIVULEODWGD-MNOULKQQSA-N	0	0	344.386	3.200	1	30		EGEFRN
C[C@@H]1CC(=O)NN=C1c1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000103173736	219265764	/nfs/dbraw/zinc/26/57/64/219265764.db2.gz	MJNHPFLOEODCLF-ZGXHQARYSA-N	0	0	336.351	3.206	1	30		EGEFRN
NC1=C(C(=O)c2ccccc2)[C@H](c2cccnc2)c2ccc(O)cc2O1	ZINC000103253044	219277144	/nfs/dbraw/zinc/27/71/44/219277144.db2.gz	CYJMARWTOIZZRP-GOSISDBHSA-N	0	0	344.370	3.365	1	30		EGEFRN
COc1ccc(N[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1	ZINC000040402791	213298819	/nfs/dbraw/zinc/29/88/19/213298819.db2.gz	ULSOSJFIPXSKPO-HXUWFJFHSA-N	0	0	349.386	3.461	1	30		EGEFRN
CC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccncc3C2=O)c1	ZINC000028642231	212629141	/nfs/dbraw/zinc/62/91/41/212629141.db2.gz	NZUOHBVBUWMFAW-UHFFFAOYSA-N	0	0	326.739	3.226	1	30		EGEFRN
CCOc1ccccc1NC1=C(Cl)C(=O)c2ncncc2C1=O	ZINC000027081120	212544979	/nfs/dbraw/zinc/54/49/79/212544979.db2.gz	CDAAKFYWGHFBOY-XSFVSMFZSA-N	0	0	329.743	3.310	1	30		EGEFRN
Cc1n[nH]c(=O)c2c1c1cc(F)ccc1n2Cc1ccc(C#N)cc1	ZINC000084732218	217637174	/nfs/dbraw/zinc/63/71/74/217637174.db2.gz	JRAGSJGRESNZLQ-UHFFFAOYSA-N	0	0	332.338	3.245	1	30		EGEFRN
N#Cc1cnn(CC(=O)N2c3ccccc3Sc3ccccc32)c1N	ZINC000095574273	218438689	/nfs/dbraw/zinc/43/86/89/218438689.db2.gz	SCUVYIKGCWNXAY-UHFFFAOYSA-N	0	0	347.403	3.166	1	30		EGEFRN
COc1cc2c(c(N)c1OC)C(=O)/C(=C/c1cc(C)c(O)c(C)c1)C2	ZINC000000008694	208548646	/nfs/dbraw/zinc/54/86/46/208548646.db2.gz	KJTPWUVVLPCPJD-VGOFMYFVSA-N	0	0	339.391	3.431	1	30		EGEFRN
[NH2+]=C(Nc1ccc(C(=O)[O-])cc1)N1Cc2cccc3c2[C@@H](CCC3)C1	ZINC000101745407	219161017	/nfs/dbraw/zinc/16/10/17/219161017.db2.gz	YBRWEQVIFARZHY-INIZCTEOSA-N	0	0	335.407	3.267	1	30		EGEFRN
O=C1c2ccccc2[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N1[O-]	ZINC000066078271	215006913	/nfs/dbraw/zinc/00/69/13/215006913.db2.gz	XQWIAIUMIULJIW-AWEZNQCLSA-N	0	0	335.281	3.403	1	30		EGEFRN
C=C[C@]1(C)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@H]1O	ZINC000095913618	290986809	/nfs/dbraw/zinc/98/68/09/290986809.db2.gz	PEHMNBMSMKSSAA-XJUMGLGQSA-N	0	0	348.483	3.236	1	30	biogenic,in-vitro	EGEFRN
CN(C)c1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1	ZINC000035845964	213050585	/nfs/dbraw/zinc/05/05/85/213050585.db2.gz	QYMUGFPITKWDMB-VXLYETTFSA-N	0	0	343.456	3.329	1	30		EGEFRN
COC[C@H](C)N/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1	ZINC000072182687	216067306	/nfs/dbraw/zinc/06/73/06/216067306.db2.gz	VERAARORQXOKHS-LBPRGKRZSA-N	0	0	347.440	3.356	1	30		EGEFRN
COc1ccc(Oc2ncccc2/C(=N/O)n2nc(C)cc2C)cc1	ZINC000072186007	216067653	/nfs/dbraw/zinc/06/76/53/216067653.db2.gz	KWGJFKDGRNBPJZ-FXBPSFAMSA-N	0	0	338.367	3.380	1	30		EGEFRN
C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C	ZINC000013434857	211557569	/nfs/dbraw/zinc/55/75/69/211557569.db2.gz	GGRIWHJBFXFKGS-OITMNORJSA-N	0	0	340.375	3.477	1	30	biogenic,in-vitro	EGEFRN
N#Cc1cccc(-c2c(C(=O)c3ccccc3)[nH]c3nc[nH]c(=O)c32)c1	ZINC000096921743	218899863	/nfs/dbraw/zinc/89/98/63/218899863.db2.gz	WHDPJWCJSNFZKP-UHFFFAOYSA-N	0	0	340.342	3.021	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C\CCC(=C)[C@@H]3CC[C@@](C)(O3)[C@@H](O)C[C@H]12	ZINC000169312946	526891825	/nfs/dbraw/zinc/89/18/25/526891825.db2.gz	HNHDPFYELJZTEZ-GQVNJRBOSA-N	0	0	332.440	3.459	1	30		EGEFRN
CC(=O)/C(C)=C\OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1	ZINC000033830597	560088746	/nfs/dbraw/zinc/08/87/46/560088746.db2.gz	SKWHTELMVBBPHJ-MQNTZWLQSA-N	0	0	328.364	3.385	1	30	biogenic,in-vitro	EGEFRN
C=CCNc1ccc(N2C(=O)[C@@H]3C[C@@H](C)CC[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000004684084	210247315	/nfs/dbraw/zinc/24/73/15/210247315.db2.gz	RPXVFSXKBAUKST-FPMFFAJLSA-N	0	0	343.383	3.118	1	30		EGEFRN
COc1cc(/C(=N\O)c2ccc3c(ccn3C)c2)cc(OC)c1OC	ZINC000101664844	219154200	/nfs/dbraw/zinc/15/42/00/219154200.db2.gz	VMIPKDPPBRDGPN-ZZEZOPTASA-N	0	0	340.379	3.431	1	30		EGEFRN
CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccccc1	ZINC000103171672	219265939	/nfs/dbraw/zinc/26/59/39/219265939.db2.gz	CTFUQWVCYRJCMX-SXZORUHJSA-N	0	0	326.396	3.061	1	30		EGEFRN
COC(=O)[C@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@@H]2CC=C(C)C	ZINC000103237216	219273837	/nfs/dbraw/zinc/27/38/37/219273837.db2.gz	LUIKELAQLPRGNL-YWZLYKJASA-N	0	0	344.407	3.424	1	30		EGEFRN
C=CCc1cc2c(c(OC)c1)O[C@H](c1ccc(O)c(OC)c1)[C@H]2CO	ZINC000040848164	213392772	/nfs/dbraw/zinc/39/27/72/213392772.db2.gz	SCJINMBKEKPVHB-HNAYVOBHSA-N	0	0	342.391	3.348	1	30		EGEFRN
CC/C=C\C[C@@H]1C(=O)C(I)=C[C@@H]1CC(=O)OC	ZINC000040834055	213392151	/nfs/dbraw/zinc/39/21/51/213392151.db2.gz	FZYXDMFUIFXKNT-OOMSKYPHSA-N	0	0	348.180	3.040	1	30		EGEFRN
N#Cc1cnn(-c2ncnc3sc4c(c32)-c2ccccc2CC4)c1N	ZINC000040829621	213391462	/nfs/dbraw/zinc/39/14/62/213391462.db2.gz	RASHGUWASGANHW-UHFFFAOYSA-N	0	0	344.403	3.096	1	30		EGEFRN
Cc1c2[nH]c3ccc(O)c(/N=C/C(=O)[O-])c3c2c(C)c2c[n+](C)ccc12	ZINC000040504125	213323829	/nfs/dbraw/zinc/32/38/29/213323829.db2.gz	VVFRSJQEJDKMIC-ODCIPOBUSA-O	0	0	348.382	3.408	1	30		EGEFRN
C#CCN1c2cccc(Br)c2[C@@]2(CC(C)=C[C@@H](C)O2)C1=O	ZINC000038142361	213202428	/nfs/dbraw/zinc/20/24/28/213202428.db2.gz	WGRYDSIFMAFLON-PXAZEXFGSA-N	0	0	346.224	3.379	1	30		EGEFRN
COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCSC2)cc1	ZINC000072180194	216065913	/nfs/dbraw/zinc/06/59/13/216065913.db2.gz	KGQHJKJZHQYKMP-MNDPQUGUSA-N	0	0	345.424	3.333	1	30		EGEFRN
COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2O)cc(OC)c1OC	ZINC000073200002	216363191	/nfs/dbraw/zinc/36/31/91/216363191.db2.gz	XPMVFYJFEVDTKM-FNORWQNLSA-N	0	0	344.363	3.328	1	30		EGEFRN
COc1ccc(S(=O)(=O)O/N=C2/CCCc3ccccc32)cc1	ZINC000008580372	210967883	/nfs/dbraw/zinc/96/78/83/210967883.db2.gz	MNNUHJVFCRWHII-ZCXUNETKSA-N	0	0	331.393	3.141	1	30		EGEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(=C\C)CO)[C@@H]12	ZINC000103554542	560051680	/nfs/dbraw/zinc/05/16/80/560051680.db2.gz	LQAWDKQOLJURMN-DUROQTLYSA-N	0	0	346.423	3.011	1	30	biogenic,in-vitro	EGEFRN
C=CCC[C@H]1CN(CCCC)S(=O)(=O)c2c(F)cccc2O1	ZINC000061931230	214687753	/nfs/dbraw/zinc/68/77/53/214687753.db2.gz	XHVWNSCRWIGIDJ-ZDUSSCGKSA-N	0	0	327.421	3.344	3	30		EGEFRN
CCCCOC(=O)C(O)=CC(=O)c1cccn1Cc1ccc(F)cc1	ZINC000101026484	219114344	/nfs/dbraw/zinc/11/43/44/219114344.db2.gz	XSSDKRLYQSVZEE-ATVHPVEESA-N	0	0	345.370	3.487	1	30		EGEFRN
CCCCCC#CCC#CCC#CCC#CCCCC(=O)NCCO	ZINC000003782154	210074685	/nfs/dbraw/zinc/07/46/85/210074685.db2.gz	WIKCFYFHZDOIDT-UHFFFAOYSA-N	0	0	339.479	3.029	1	30		EGEFRN
N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)sc1=O	ZINC000003801012	210074724	/nfs/dbraw/zinc/07/47/24/210074724.db2.gz	GJNPAEKHAXQRGV-UHFFFAOYSA-N	0	0	337.404	3.464	1	30		EGEFRN
CNC(=O)OC1CSC(C#N)(c2ccc(Cl)cc2)SC1	ZINC000103166817	219264937	/nfs/dbraw/zinc/26/49/37/219264937.db2.gz	NGYGVTNBVOIPHQ-UHFFFAOYSA-N	0	0	328.846	3.221	1	30		EGEFRN
C#CCc1c(Cl)cc(NC=NOCC(=O)OCC)cc1Cl	ZINC000103180371	219266604	/nfs/dbraw/zinc/26/66/04/219266604.db2.gz	DFIXLLWLJWXLKS-UHFFFAOYSA-N	0	0	329.183	3.104	1	30		EGEFRN
CCON=CNc1cc(Cl)c(S(=O)(=O)CC)c(Cl)c1	ZINC000103199846	219268175	/nfs/dbraw/zinc/26/81/75/219268175.db2.gz	ZXLCZUMXMQAPFE-UHFFFAOYSA-N	0	0	325.217	3.179	1	30		EGEFRN
COc1cc(CN=Nc2cnc3ccccc3n2)cc(OC)c1OC	ZINC000103258008	219278301	/nfs/dbraw/zinc/27/83/01/219278301.db2.gz	YPBLUKBKOJQKBU-KEBDBYFISA-N	0	0	338.367	3.102	1	30		EGEFRN
C=C1C(=O)O[C@H]2CC(=C)[C@@H](O)CC/C(C)=C/[C@@H](OC(=O)/C(C)=C/C)[C@H]12	ZINC000040864668	213394749	/nfs/dbraw/zinc/39/47/49/213394749.db2.gz	UPYSSTOWRYYTEG-GNCXSGPVSA-N	0	0	346.423	3.010	1	30		EGEFRN
Cn1cc(/C=C2\CCCc3ccccc3C2=O)cc1/C=C/C(=O)NO	ZINC000040862485	213394555	/nfs/dbraw/zinc/39/45/55/213394555.db2.gz	UNTGEYXCBWKJOM-AKYRVGECSA-N	0	0	336.391	3.146	1	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000156772947	290986206	/nfs/dbraw/zinc/98/62/06/290986206.db2.gz	DWNHGPRUSBRDRF-BAWAYCLUSA-N	0	0	346.423	3.250	1	30	biogenic	EGEFRN
Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2cccc(F)c2)n1	ZINC000029125209	212652137	/nfs/dbraw/zinc/65/21/37/212652137.db2.gz	YMGUHZGKJXJICQ-UHFFFAOYSA-N	0	0	347.393	3.418	1	30		EGEFRN
Cc1cc(NC(=O)[C@](C)(O)CSc2ccccc2)ccc1C#N	ZINC000028086011	212598165	/nfs/dbraw/zinc/59/81/65/212598165.db2.gz	MUFCAJBKUCZCGK-GOSISDBHSA-N	0	0	326.421	3.349	1	30		EGEFRN
CO/N=C(/Cc1ccc(OC)cc1)c1ccc(OC)c(OC)c1OC	ZINC000073413436	216383684	/nfs/dbraw/zinc/38/36/84/216383684.db2.gz	HNVUVPILHDYIBF-SILNSSARSA-N	0	0	345.395	3.314	1	30		EGEFRN
CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)C1=O	ZINC000013559352	211578928	/nfs/dbraw/zinc/57/89/28/211578928.db2.gz	PFWLGELXJMOEOK-UHFFFAOYSA-N	0	0	342.416	3.336	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12	ZINC000169299952	526892368	/nfs/dbraw/zinc/89/23/68/526892368.db2.gz	PRUIDJLINDRLON-FPCAAWJESA-N	0	0	332.440	3.461	1	30		EGEFRN
O=C(/C=C/C=C/c1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1	ZINC000038820666	560085988	/nfs/dbraw/zinc/08/59/88/560085988.db2.gz	VJJPCEDEDJXHHK-ZPUQHVIOSA-N	0	0	326.348	3.280	1	30	biogenic,in-vitro	EGEFRN
C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@@H](C=O)C1C(=O)OCC	ZINC000100038004	219089333	/nfs/dbraw/zinc/08/93/33/219089333.db2.gz	VXGKJYZITFFGRK-ZWPWWNDZSA-N	0	0	343.379	3.057	1	30		EGEFRN
CCOC(=O)C1C(=O)C=C2COC(=O)C2[C@H]1c1ccccc1Cl	ZINC000101007600	219113518	/nfs/dbraw/zinc/11/35/18/219113518.db2.gz	PRNXSFBPIPRLRI-XEVXXXDWSA-N	0	0	334.755	3.056	1	30		EGEFRN
C=C(C)Cn1cc(C=CC(=O)C=C(O)C(=O)OCC)c2ccccc21	ZINC000101704866	219158311	/nfs/dbraw/zinc/15/83/11/219158311.db2.gz	RHWSYSNWUQFPPZ-MDZDMXLPSA-N	0	0	339.391	3.322	1	30		EGEFRN
COc1cc2c(c(N)c1OC)C(=O)/C(=C\c1cc(C)c(O)c(C)c1)C2	ZINC000003872902	210082341	/nfs/dbraw/zinc/08/23/41/210082341.db2.gz	KJTPWUVVLPCPJD-AUWJEWJLSA-N	0	0	339.391	3.431	1	30		EGEFRN
CCCCC1=C(Br)c2nc3ccccn3c2C(=O)C1=O	ZINC000103275898	219281644	/nfs/dbraw/zinc/28/16/44/219281644.db2.gz	MMRDEBKENNTBTP-UHFFFAOYSA-N	0	0	333.185	3.396	1	30		EGEFRN
CCn1cc(C#N)c2ccc(NS(=O)(=O)Cc3ccccc3)cc21	ZINC000040564694	213351000	/nfs/dbraw/zinc/35/10/00/213351000.db2.gz	DFYUTFGYKUPHMV-UHFFFAOYSA-N	0	0	339.420	3.475	1	30		EGEFRN
N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1	ZINC000028524152	212622827	/nfs/dbraw/zinc/62/28/27/212622827.db2.gz	ZNFMHXOUXUCSJG-UHFFFAOYSA-N	0	0	345.391	3.401	1	30		EGEFRN
CC1(C)Oc2ccc(C#N)cc2[C@@H]2[C@@H]1OCC(=O)N2Cc1ccccc1	ZINC000027525151	212560293	/nfs/dbraw/zinc/56/02/93/212560293.db2.gz	UVJDJAMNNPIWNR-UXHICEINSA-N	0	0	348.402	3.198	1	30		EGEFRN
O=C1Nc2ccc([N+](=O)[O-])cc2[C@](C#CC2CC2)(C(F)(F)F)O1	ZINC000006567561	210655285	/nfs/dbraw/zinc/65/52/85/210655285.db2.gz	FRVRQTHENXFZCJ-CYBMUJFWSA-N	0	0	326.230	3.328	1	30		EGEFRN
CC(C)(O)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1	ZINC000014496160	560221935	/nfs/dbraw/zinc/22/19/35/560221935.db2.gz	IQMDFQYVBMPOOW-WOJBJXKFSA-N	0	0	326.392	3.369	1	30	biogenic,in-vitro	EGEFRN
COc1cc2c(c(O)c1CC=C(C)CC(=O)C=C(C)C)C(=O)OC2	ZINC000015120524	560228577	/nfs/dbraw/zinc/22/85/77/560228577.db2.gz	BFNRWRVOUBCLCW-LFYBBSHMSA-N	0	0	330.380	3.485	1	30	biogenic,in-vitro	EGEFRN
COc1ccccc1C=CC=Nc1c(C)[n+](C)n(-c2ccccc2)c1[O-]	ZINC000101584395	219142035	/nfs/dbraw/zinc/14/20/35/219142035.db2.gz	HCRFYBMVNBFTDG-DEMMLCMSSA-N	0	0	348.426	3.213	3	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12	ZINC000101851063	219167087	/nfs/dbraw/zinc/16/70/87/219167087.db2.gz	PRUIDJLINDRLON-LDRBAHJUSA-N	0	0	332.440	3.461	1	30		EGEFRN
O=C1CCCC2=C1[C@H](c1cc3ccccc3[nH]c1=S)NC(=S)N2	ZINC000103283181	219282242	/nfs/dbraw/zinc/28/22/42/219282242.db2.gz	WFGITHNJTKVIAD-HNNXBMFYSA-N	0	0	341.461	3.423	1	30		EGEFRN
C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccc(O)cc1	ZINC000040564969	213351544	/nfs/dbraw/zinc/35/15/44/213351544.db2.gz	JHZCTCLCAJCHJZ-VXLYETTFSA-N	0	0	330.413	3.358	1	30		EGEFRN
C=C1C[C@]23C[C@H]1CC=C2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC	ZINC000033952888	290986524	/nfs/dbraw/zinc/98/65/24/290986524.db2.gz	HQSDLFRIZKDOEE-VLDRLYBHSA-N	0	0	328.408	3.174	1	30	biogenic,in-vitro	EGEFRN
CCCCCCCc1nc2c([nH]1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N21	ZINC000036243140	213078241	/nfs/dbraw/zinc/07/82/41/213078241.db2.gz	DYXBBOLAFDRFJD-OLZOCXBDSA-N	0	0	329.448	3.105	1	30		EGEFRN
C[C@H]1CN1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1	ZINC000072103377	216008400	/nfs/dbraw/zinc/00/84/00/216008400.db2.gz	GGGLEWWANZXYEH-CKGXQMSISA-N	0	0	341.264	3.270	1	30		EGEFRN
CC(C)C[C@@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1	ZINC000072177236	216066401	/nfs/dbraw/zinc/06/64/01/216066401.db2.gz	BXTRNSNNNNYKSA-UTUZZDLOSA-N	0	0	326.400	3.097	1	30		EGEFRN
C#CCn1c(C)c(C(C)(C)C)s/c1=N\S(=O)(=O)c1ccccc1	ZINC000028862042	212640249	/nfs/dbraw/zinc/64/02/49/212640249.db2.gz	YBENEEPGIVIIQD-VLGSPTGOSA-N	0	0	348.493	3.078	1	30		EGEFRN
COc1cccc(C(=O)c2cc3cc(/C=C/C(=O)NO)ccc3o2)c1	ZINC000028713208	212632721	/nfs/dbraw/zinc/63/27/21/212632721.db2.gz	JDFCMTMEFASINY-SOFGYWHQSA-N	0	0	337.331	3.191	1	30		EGEFRN
COCOc1cc(OC)ccc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000073053485	216344307	/nfs/dbraw/zinc/34/43/07/216344307.db2.gz	FWWOBXXUALDLAJ-YHYXMXQVSA-N	0	0	343.335	3.482	1	30		EGEFRN
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O	ZINC000073298908	216375840	/nfs/dbraw/zinc/37/58/40/216375840.db2.gz	KINBHFUHBUNAOF-OLMJWMQISA-N	0	0	343.427	3.351	1	30		EGEFRN
COc1cccc(-n2ncc3c2ncnc3N=NCc2ccccc2)c1	ZINC000014946175	211775348	/nfs/dbraw/zinc/77/53/48/211775348.db2.gz	HBTQSEPYSIFTCO-SSDVNMTOSA-N	0	0	344.378	3.270	1	30		EGEFRN
CS(=O)(=O)c1ccc(C#CC(=O)c2cccc3ccccc32)cc1	ZINC000012352364	211353774	/nfs/dbraw/zinc/35/37/74/211353774.db2.gz	SVTVRSOEVPGOAD-UHFFFAOYSA-N	0	0	334.396	3.478	1	30		EGEFRN
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1	ZINC000095920826	218450210	/nfs/dbraw/zinc/45/02/10/218450210.db2.gz	QHCRWOYXPXJUJS-KZNAEPCWSA-N	0	0	349.365	3.285	1	30	in-vitro	EGEFRN
COc1ccc(CN=Nc2nnc(-c3ncc[nH]3)c3ccccc32)cc1	ZINC000005072235	210383077	/nfs/dbraw/zinc/38/30/77/210383077.db2.gz	VIDGFQHSTLVMLN-WSDLNYQXSA-N	0	0	344.378	3.475	3	30		EGEFRN
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C)CC/C=C(\C)CC/C=C(/C)[C@H]2O	ZINC000169298977	526892514	/nfs/dbraw/zinc/89/25/14/526892514.db2.gz	HVJGVUTXXJGUKC-FMYOUOLFSA-N	0	0	332.440	3.459	1	30		EGEFRN
C=C1C[C@@H](O)/C=C(/C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000169293309	526909168	/nfs/dbraw/zinc/90/91/68/526909168.db2.gz	ZHNTWXWAMWPYNI-GITGNRPESA-N	0	0	332.440	3.076	1	30		EGEFRN
CCCCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(N)=O	ZINC000169308241	528137925	/nfs/dbraw/zinc/13/79/25/528137925.db2.gz	ZYYNLKCPTZVIPQ-UHFFFAOYSA-N	0	0	331.372	3.048	1	30		EGEFRN
CS(=O)(=O)c1ccc(C2=C(c3cncc(Cl)c3)C(=O)CC2)cc1	ZINC000000007001	581099613	/nfs/dbraw/zinc/09/96/13/581099613.db2.gz	IXSDWULMLBIFIX-UHFFFAOYSA-N	0	0	347.823	3.412	1	30		EGEFRN
COc1ccc2cc(/C=N\S(=O)(=O)c3ccc(C)cc3)n(C)c2c1	ZINC000102849279	219235990	/nfs/dbraw/zinc/23/59/90/219235990.db2.gz	CLWACLXHHXQFQL-UNOMPAQXSA-N	0	0	342.420	3.303	3	30		EGEFRN
CCCCCCCN(C(=O)Cc1ccc(OC)cc1)[C@H](CC)C(N)=O	ZINC000043397161	213580020	/nfs/dbraw/zinc/58/00/20/213580020.db2.gz	BQADXAKWRNXXQF-GOSISDBHSA-N	0	0	348.487	3.301	1	30		EGEFRN
O=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)S/C1=C\c1ccc(O)cc1	ZINC000103219950	219271249	/nfs/dbraw/zinc/27/12/49/219271249.db2.gz	RQMIWMBUOCPTOZ-ZROIWOOFSA-N	0	0	341.348	3.192	1	30		EGEFRN
C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12	ZINC000040764413	213384354	/nfs/dbraw/zinc/38/43/54/213384354.db2.gz	VQRWOFINNQGFFG-VJZLAZQGSA-N	0	0	348.439	3.093	1	30		EGEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1C	ZINC000040395077	213297423	/nfs/dbraw/zinc/29/74/23/213297423.db2.gz	MCHBEHPBWGBBDV-LKFCYVNXSA-N	0	0	343.301	3.279	1	30		EGEFRN
COc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2	ZINC000072108227	216010500	/nfs/dbraw/zinc/01/05/00/216010500.db2.gz	CVKDSGICIOMAGA-IUXPMGMMSA-N	0	0	342.347	3.337	1	30	in-vitro	EGEFRN
O/N=C(/c1ccc(Oc2cccc3cccnc32)nc1)n1ccnc1	ZINC000072142405	216027074	/nfs/dbraw/zinc/02/70/74/216027074.db2.gz	JGDWPLWIFHEKAI-PYCFMQQDSA-N	0	0	331.335	3.303	1	30		EGEFRN
COc1ccc(CNC(=O)Nc2nc3ccc(C#N)cc3s2)cc1	ZINC000072182486	216067199	/nfs/dbraw/zinc/06/71/99/216067199.db2.gz	XSAJTNJHFVNMMS-UHFFFAOYSA-N	0	0	338.392	3.498	1	30		EGEFRN
COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2C(F)(F)F)C[C@H]1C	ZINC000027324386	212553680	/nfs/dbraw/zinc/55/36/80/212553680.db2.gz	FNMJETLSFBURAR-OTYXRUKQSA-N	0	0	327.302	3.399	1	30		EGEFRN
N#Cc1c2nc3ccccc3n2c2ccccc2c1N1CC[C@H](O)C1	ZINC000005543722	210484900	/nfs/dbraw/zinc/48/49/00/210484900.db2.gz	HNGVRYQZCVGLNG-ZDUSSCGKSA-N	0	0	328.375	3.083	1	30		EGEFRN
C=C(C)[C@H](O)Cc1c2c(ccc1O)[C@H]1COc3cc(O)ccc3[C@H]1O2	ZINC000059729375	571771067	/nfs/dbraw/zinc/77/10/67/571771067.db2.gz	LRCYZCCKRIVTHN-WRWLIDTKSA-N	0	0	340.375	3.187	1	30	endogenous,in-man	EGEFRN
C=CCNc1nc2cc(-c3ccccc3OC)sc2c(=O)n1C	ZINC000061896072	214683868	/nfs/dbraw/zinc/68/38/68/214683868.db2.gz	ZRXHHXSUVBFTNJ-UHFFFAOYSA-N	0	0	327.409	3.269	3	30		EGEFRN
CCc1nc(N)nc(N)c1C#C[C@@H](C)c1ccc(-c2ccccc2)nc1	ZINC000169308650	529742095	/nfs/dbraw/zinc/74/20/95/529742095.db2.gz	JKSKINFMKRSXHC-CQSZACIVSA-N	0	0	343.434	3.421	1	30		EGEFRN
COC(=O)[C@H]1C(=O)C=C(NCCc2ccccc2)C[C@H]1c1ccccc1	ZINC000101632572	219148623	/nfs/dbraw/zinc/14/86/23/219148623.db2.gz	DNBYHSZIGXMJJJ-PZJWPPBQSA-N	0	0	349.430	3.248	1	30		EGEFRN
C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NO	ZINC000103176988	219265868	/nfs/dbraw/zinc/26/58/68/219265868.db2.gz	YNKQCIFRPIJGEK-MRVPVSSYSA-N	0	0	343.166	3.453	1	30		EGEFRN
C[C@@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C	ZINC000002871160	209932346	/nfs/dbraw/zinc/93/23/46/209932346.db2.gz	VVPWYMMLGFSQBL-HNONPPJISA-N	0	0	325.368	3.139	1	30		EGEFRN
C[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1	ZINC000040846292	213393689	/nfs/dbraw/zinc/39/36/89/213393689.db2.gz	ARIVJJXBYQCJFK-GOSISDBHSA-N	0	0	330.405	3.406	1	30		EGEFRN
CC(C)(C)c1cc2c(ncnc2N=NCc2cccc(CO)n2)s1	ZINC000040862081	213394474	/nfs/dbraw/zinc/39/44/74/213394474.db2.gz	USHMKWDFOXGLHF-ZBKNUEDVSA-N	0	0	341.440	3.322	1	30		EGEFRN
O=C1C=C[C@H]2[C@@H](c3ccc4c(c3)OCO4)C[C@@H]1N2Cc1ccccc1	ZINC000036386169	213093281	/nfs/dbraw/zinc/09/32/81/213093281.db2.gz	ONQQYFYIKCBECT-SQNIBIBYSA-N	0	0	333.387	3.281	1	30		EGEFRN
N#Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N)n1	ZINC000036160955	213074232	/nfs/dbraw/zinc/07/42/32/213074232.db2.gz	DVNOSJQRKOSAQS-UHFFFAOYSA-N	0	0	330.326	3.051	1	30		EGEFRN
C#CCNc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c21	ZINC000071295107	215755899	/nfs/dbraw/zinc/75/58/99/215755899.db2.gz	CEJVVRHTVXTMIG-UHFFFAOYSA-N	0	0	346.415	3.349	1	30		EGEFRN
CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1	ZINC000008860633	211011863	/nfs/dbraw/zinc/01/18/63/211011863.db2.gz	WQOWZUHSEZTROA-IBGZPJMESA-N	0	0	342.347	3.262	3	30		EGEFRN
COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc(OC)c1OC	ZINC000005732538	210527226	/nfs/dbraw/zinc/52/72/26/210527226.db2.gz	AGTQJIQVSWUWEJ-GQCTYLIASA-N	0	0	333.296	3.110	1	30		EGEFRN
CC(=O)N1CCC(N=Nc2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000004921094	210324349	/nfs/dbraw/zinc/32/43/49/210324349.db2.gz	ZJKXPVVTIBERDW-UHFFFAOYSA-N	0	0	334.729	3.164	3	30		EGEFRN
C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(\C)CCC1=O	ZINC000013335712	560214657	/nfs/dbraw/zinc/21/46/57/560214657.db2.gz	WNLDPFSWPBREOU-SURQFZOFSA-N	0	0	348.439	3.076	1	30	in-vitro	EGEFRN
COc1cc2oc(C)cc(O)c-2c(=O)c1CCC1=CC(=O)C[C@H](C)O1	ZINC000013385302	560216167	/nfs/dbraw/zinc/21/61/67/560216167.db2.gz	FFCFVSMYTTVAHJ-JTQLQIEISA-N	0	0	344.363	3.010	1	30	biogenic,in-vitro	EGEFRN
NC(=[NH2+])NC([O-])=C(CC1CCCC1)c1ccc(Cl)c(Cl)c1	ZINC000049113961	213989139	/nfs/dbraw/zinc/98/91/39/213989139.db2.gz	MSMYMLGXTCCCDG-NSHDSACASA-N	0	0	328.243	3.457	1	30		EGEFRN
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1/C=C/C1=C[C@H](O)OC1=O	ZINC000102418582	219201513	/nfs/dbraw/zinc/20/15/13/219201513.db2.gz	AJJYJDWULCXJIR-GHUQGTPVSA-N	0	0	330.424	3.322	1	30		EGEFRN
O=C1CCCC2=C1[C@@H](c1cc3ccccc3[nH]c1=S)NC(=S)N2	ZINC000103283178	219282122	/nfs/dbraw/zinc/28/21/22/219282122.db2.gz	WFGITHNJTKVIAD-OAHLLOKOSA-N	0	0	341.461	3.423	1	30		EGEFRN
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	ZINC000019314947	212014165	/nfs/dbraw/zinc/01/41/65/212014165.db2.gz	QYRDETJDJSUQCM-PJCCXHTNSA-N	0	0	341.363	3.397	1	30		EGEFRN
CC(=O)N(C(C)=O)c1nc(-c2ccccc2)cn1/N=C\c1ccccc1	ZINC000013113594	211522837	/nfs/dbraw/zinc/52/28/37/211522837.db2.gz	JITLJXOHFNJCNJ-BKUYFWCQSA-N	0	0	346.390	3.332	1	30		EGEFRN
COc1ccc(C#Cc2ccc(C(=O)N3CCC(=O)[C@@H](C)C3)cc2)cc1	ZINC000169341531	533268273	/nfs/dbraw/zinc/26/82/73/533268273.db2.gz	GVXHYDSMFXCUHC-INIZCTEOSA-N	0	0	347.414	3.146	1	30		EGEFRN
C=CCNc1ccc(N2C(=O)[C@H]3CC[C@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000169304304	526677647	/nfs/dbraw/zinc/67/76/47/526677647.db2.gz	RPXVFSXKBAUKST-UBHSHLNASA-N	0	0	343.383	3.118	1	30		EGEFRN
CCCCCC(=O)C=C(O)C=Cc1cc(CCO)c(O)c(OC)c1	ZINC000085596511	560063441	/nfs/dbraw/zinc/06/34/41/560063441.db2.gz	OGGFELYBUONNKL-BQYQJAHWSA-N	0	0	334.412	3.057	1	30	biogenic,in-vitro	EGEFRN
C#CCOc1ccc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)cc1	ZINC000587563376	1298053820	/nfs/dbraw/zinc/05/38/20/1298053820.db2.gz	GQKCKBJKDGKCNX-UHFFFAOYSA-N	0	0	336.347	3.037	1	30		EGEFRN