smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(F)cc1[O-]	ZINC000727779390	574456054	/nfs/dbraw/zinc/45/60/54/574456054.db2.gz	AABZRRDJVWCFGJ-UHFFFAOYSA-N	-2	3	276.271	2.171	20	30		CEEDHL
COc1cccc([O-])c1/C=N/C1CCC(NC(=O)[O-])CC1	ZINC000739954328	574937404	/nfs/dbraw/zinc/93/74/04/574937404.db2.gz	YETKWRZNMPXFOH-CXUHLZMHSA-N	-2	3	292.335	2.399	20	30		CEEDHL
O=C([O-])NC1CCC(/N=C/c2ccccc2[O-])CC1	ZINC000740552998	574958986	/nfs/dbraw/zinc/95/89/86/574958986.db2.gz	OATHKDSAUMTPFW-OQLLNIDSSA-N	-2	3	262.309	2.390	20	30		CEEDHL
C=C1CCC(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1	ZINC000903511518	635159119	/nfs/dbraw/zinc/15/91/19/635159119.db2.gz	UVMZBRXNOORSHF-UHFFFAOYSA-N	-2	3	299.348	2.003	20	30		CEEDHL
N#Cc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1F	ZINC000619864669	349240574	/nfs/dbraw/zinc/24/05/74/349240574.db2.gz	UIXCHIAOKFJDCZ-RQOWECAXSA-N	-2	3	285.234	2.062	20	30		CEEDHL
COc1cccc([O-])c1/C=N/[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000739952169	574937477	/nfs/dbraw/zinc/93/74/77/574937477.db2.gz	GVDILXBLJDSBAV-SVCCNBJCSA-N	-2	3	292.335	2.256	20	30		CEEDHL
O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1[O-]	ZINC000826402118	607885784	/nfs/dbraw/zinc/88/57/84/607885784.db2.gz	NKEUCIFKEZITED-KTKRTIGZSA-N	-2	3	292.298	2.468	20	30		CEEDHL
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc([O-])cc1F	ZINC000070333340	641659194	/nfs/dbraw/zinc/65/91/94/641659194.db2.gz	MUXBHBJOFQEGJG-UHFFFAOYSA-N	-2	3	292.291	2.204	20	30		CEEDHL
O=C([O-])N1CCCC[C@H](/N=C/c2ccccc2[O-])C1	ZINC000740517443	574468001	/nfs/dbraw/zinc/46/80/01/574468001.db2.gz	FOIVYGQQHIZQGZ-DGGAMASNSA-N	-2	3	262.309	2.344	20	30		CEEDHL
COc1cccc([O-])c1/C=N/Cc1ccc(C(=O)[O-])o1	ZINC000738106961	574851819	/nfs/dbraw/zinc/85/18/19/574851819.db2.gz	RBIBGIWZLSILSX-OVCLIPMQSA-N	-2	3	275.260	2.311	20	30		CEEDHL
O=C([O-])c1ccc([O-])c(C=NN=c2[nH]c3ccccc3[nH]2)c1	ZINC000740160262	574945766	/nfs/dbraw/zinc/94/57/66/574945766.db2.gz	INLAXESSMVWLRK-UHFFFAOYSA-N	-2	3	296.286	2.413	20	30		CEEDHL
CCCCC[C@H](/N=C\c1c([O-])c(C)ncc1CO)C(=O)[O-]	ZINC000829311683	601365393	/nfs/dbraw/zinc/36/53/93/601365393.db2.gz	INDRTTKAROTSNP-KCXFFNSDSA-N	-2	3	294.351	2.040	20	30		CEEDHL
O=C([O-])N1CC[C@H](C/N=C/c2cc(Cl)ccc2[O-])C1	ZINC000834078023	606070599	/nfs/dbraw/zinc/07/05/99/606070599.db2.gz	IPVNIGMRSFKOEV-NEFPKRPYSA-N	-2	3	282.727	2.464	20	30		CEEDHL
N#Cc1cc(NC(=O)c2cc([O-])cc(O)c2)c([O-])cc1F	ZINC001148516905	814570939	/nfs/dbraw/zinc/57/09/39/814570939.db2.gz	WFPNYFHAHSGSDF-UHFFFAOYSA-N	-2	3	288.234	2.066	20	30		CEEDHL
Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C#N)c([O-])c1	ZINC000592948838	345416028	/nfs/dbraw/zinc/41/60/28/345416028.db2.gz	CMGCEVLAHQGTSC-UHFFFAOYSA-N	-2	3	284.319	2.093	20	30		CEEDHL
C=CCCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000656180729	415620210	/nfs/dbraw/zinc/62/02/10/415620210.db2.gz	MWVUTHZXWFSTFL-UHFFFAOYSA-N	-2	3	287.337	2.003	20	30		CEEDHL
O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[O-]	ZINC000822928760	606857531	/nfs/dbraw/zinc/85/75/31/606857531.db2.gz	LZNSHSBRMQPREP-CMDGGOBGSA-N	-2	3	292.298	2.468	20	30		CEEDHL
COc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1[O-]	ZINC000176401401	807524584	/nfs/dbraw/zinc/52/45/84/807524584.db2.gz	DWJJPLAPYGEXBK-UHFFFAOYSA-N	-2	3	284.271	2.230	20	30		CEEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-]	ZINC000167736586	529588524	/nfs/dbraw/zinc/58/85/24/529588524.db2.gz	GVIASXKIEIEWFZ-SECBINFHSA-N	-2	3	288.756	2.398	20	30		CEEDHL
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1[O-]	ZINC000088474451	179609963	/nfs/dbraw/zinc/60/99/63/179609963.db2.gz	ZQQAZSMGUORDJB-VIFPVBQESA-N	-2	3	282.365	2.343	20	30		CEEDHL
O=C([O-])N1CC(C/N=C/c2cc(Cl)ccc2[O-])C1	ZINC000834067056	605720941	/nfs/dbraw/zinc/72/09/41/605720941.db2.gz	JPUGZKRTSZZWKE-LHHJGKSTSA-N	-2	3	268.700	2.074	20	30		CEEDHL
COc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)ccc1[O-]	ZINC000831861004	601445074	/nfs/dbraw/zinc/44/50/74/601445074.db2.gz	JSTRJMPVVMXWNV-QPJJXVBHSA-N	-2	3	287.271	2.323	20	30		CEEDHL
N#Cc1csc(/C=C/C(=O)c2ccc([O-])cc2[O-])n1	ZINC000811692787	632424224	/nfs/dbraw/zinc/42/42/24/632424224.db2.gz	HXOABHWNZVCEOL-ONEGZZNKSA-N	-2	3	272.285	2.322	20	30		CEEDHL
CC[C@@H](NN=C(C)c1ccc([O-])cc1Cl)C(=O)[O-]	ZINC000905469613	636296387	/nfs/dbraw/zinc/29/63/87/636296387.db2.gz	IGYWHIRCBKQEDT-LLVKDONJSA-N	-2	3	270.716	2.222	20	30		CEEDHL
C=C(C)CO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000844528853	640759022	/nfs/dbraw/zinc/75/90/22/640759022.db2.gz	MHISNBJIMURHQV-UHFFFAOYSA-N	-2	3	270.358	2.465	20	30		CEEDHL
CC(C)(C#N)CCS(=O)(=O)[N-]c1c([O-])cccc1F	ZINC000593205626	345453757	/nfs/dbraw/zinc/45/37/57/345453757.db2.gz	KDACTUOGBPGOGO-UHFFFAOYSA-N	-2	3	286.328	2.213	20	30		CEEDHL
CCC(C#N)=C([O-])N=c1cc(-c2cc(C)ccc2F)[n-][nH]1	ZINC000593739596	345530469	/nfs/dbraw/zinc/53/04/69/345530469.db2.gz	CLTSNDJWHQOFOJ-JTQLQIEISA-N	-2	3	286.310	2.434	20	30		CEEDHL
C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000398131830	375346861	/nfs/dbraw/zinc/34/68/61/375346861.db2.gz	FRBFXHRJGYJCQB-VIFPVBQESA-N	-2	3	287.337	2.001	20	30		CEEDHL
C=CCCS(=O)(=O)[N-]c1cc(CC)ccc1[O-]	ZINC000123171082	187075792	/nfs/dbraw/zinc/07/57/92/187075792.db2.gz	IPPKGRPQCLNEMW-UHFFFAOYSA-N	-2	3	255.339	2.272	20	30		CEEDHL
C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000663436116	414952876	/nfs/dbraw/zinc/95/28/76/414952876.db2.gz	OKSXNLDLUFJJPY-UHFFFAOYSA-N	-2	3	287.337	2.001	20	30		CEEDHL
COc1cccc([O-])c1/C=N\C1CCC(NC(=O)[O-])CC1	ZINC000739954330	574937441	/nfs/dbraw/zinc/93/74/41/574937441.db2.gz	YETKWRZNMPXFOH-SXGWCWSVSA-N	-2	3	292.335	2.399	20	30		CEEDHL
O=C([O-])N1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1	ZINC000740507871	574956868	/nfs/dbraw/zinc/95/68/68/574956868.db2.gz	QYRPSPCBGSNTJP-WBERELSBSA-N	-2	3	268.700	2.217	20	30		CEEDHL
C=CCC1(C(=O)N=c2ccc([O-])n[n-]2)CCCCC1	ZINC000410718100	395308230	/nfs/dbraw/zinc/30/82/30/395308230.db2.gz	KXBRISOODIVPMS-UHFFFAOYSA-N	-2	3	261.325	2.069	20	30		CEEDHL
C=CCCSc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[n-]1	ZINC000736108226	574775875	/nfs/dbraw/zinc/77/58/75/574775875.db2.gz	OMUCNMLHKNNSIC-UHFFFAOYSA-N	-2	3	291.332	2.405	20	30		CEEDHL
COc1cccc([O-])c1/C=N\[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000739952167	574937458	/nfs/dbraw/zinc/93/74/58/574937458.db2.gz	GVDILXBLJDSBAV-ARHGCVOOSA-N	-2	3	292.335	2.256	20	30		CEEDHL
C=C[C@@]1(C)CC[C@H](C(C)(C)OCCP(=O)([O-])[O-])O1	ZINC001224605471	806864528	/nfs/dbraw/zinc/86/45/28/806864528.db2.gz	JKPJFVALMIKSAP-PWSUYJOCSA-N	-2	3	278.285	2.083	20	30		CEEDHL
CCC(C#N)=C([O-])N=c1cc(-c2cc(C)ccc2F)[n-][nH]1	ZINC000593739597	345530411	/nfs/dbraw/zinc/53/04/11/345530411.db2.gz	CLTSNDJWHQOFOJ-SNVBAGLBSA-N	-2	3	286.310	2.434	20	30		CEEDHL
CCC(C#N)=C([O-])N=c1cc(-c2ccc(C)s2)[n-][nH]1	ZINC000593894026	345549453	/nfs/dbraw/zinc/54/94/53/345549453.db2.gz	SECKVTOUWQFKKP-SECBINFHSA-N	-2	3	274.349	2.357	20	30		CEEDHL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc([O-])c1	ZINC000070430588	363080568	/nfs/dbraw/zinc/08/05/68/363080568.db2.gz	PRRBOCFKMIHETD-UHFFFAOYSA-N	-2	3	288.328	2.373	20	30		CEEDHL
COc1cccc([O-])c1/C=N\C1CCC(C(=O)[O-])CC1	ZINC000738106414	574852120	/nfs/dbraw/zinc/85/21/20/574852120.db2.gz	LCOQHQIAUYLORW-SXGWCWSVSA-N	-2	3	277.320	2.463	20	30		CEEDHL
CC[C@H](NN=C(C)c1ccc([O-])cc1Cl)C(=O)[O-]	ZINC000905469614	636296285	/nfs/dbraw/zinc/29/62/85/636296285.db2.gz	IGYWHIRCBKQEDT-NSHDSACASA-N	-2	3	270.716	2.222	20	30		CEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1	ZINC000230366380	639756727	/nfs/dbraw/zinc/75/67/27/639756727.db2.gz	HMQUZFXXZWAAEU-UHFFFAOYSA-N	-2	3	298.320	2.265	20	30		CEEDHL
O=C([O-])c1ccc(NN=Cc2c(F)ccc([O-])c2F)nc1	ZINC000794525091	648876410	/nfs/dbraw/zinc/87/64/10/648876410.db2.gz	ZHPXIUSCLONUDS-UHFFFAOYSA-N	-2	3	293.229	2.210	20	30		CEEDHL
N#Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[O-]	ZINC000188612733	369382339	/nfs/dbraw/zinc/38/23/39/369382339.db2.gz	LFCQPHAPZKYHLO-UHFFFAOYSA-N	-2	3	272.235	2.361	20	30		CEEDHL
N#Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1[O-]	ZINC000442674886	268204745	/nfs/dbraw/zinc/20/47/45/268204745.db2.gz	ZVVWNVHNCXUHMA-UHFFFAOYSA-N	-2	3	272.235	2.361	20	30		CEEDHL
COc1cccc([O-])c1/C=N\C[C@@H](NC(=O)[O-])C(C)C	ZINC000739952323	574433502	/nfs/dbraw/zinc/43/35/02/574433502.db2.gz	LWZGVYYBVUEWCF-LYGDGENHSA-N	-2	3	280.324	2.112	20	30		CEEDHL
CCOc1ccc(/C=N\CCSCC(=O)[O-])c([O-])c1	ZINC000737200713	574815776	/nfs/dbraw/zinc/81/57/76/574815776.db2.gz	TWAVTDAIVGCBSS-ZSOIEALJSA-N	-2	3	283.349	2.028	20	30		CEEDHL
COc1cccc([O-])c1/C=N\[C@H]1CCCCN(C(=O)[O-])C1	ZINC000739952266	574937321	/nfs/dbraw/zinc/93/73/21/574937321.db2.gz	KTMUHRJVBDFNND-RCEBRVLHSA-N	-2	3	292.335	2.352	20	30		CEEDHL
C=C[C@]1(C)CC[C@@H](C(C)(C)OCCP(=O)([O-])[O-])O1	ZINC001224605465	806864101	/nfs/dbraw/zinc/86/41/01/806864101.db2.gz	JKPJFVALMIKSAP-CMPLNLGQSA-N	-2	3	278.285	2.083	20	30		CEEDHL
N#Cc1cc([O-])cc(C(=O)Nc2ccccc2[O-])c1	ZINC000614293613	348175603	/nfs/dbraw/zinc/17/56/03/348175603.db2.gz	PNRKQQMYSKPXFG-UHFFFAOYSA-N	-2	3	254.245	2.222	20	30		CEEDHL
N#Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1[O-]	ZINC000615430991	348328524	/nfs/dbraw/zinc/32/85/24/348328524.db2.gz	CHOWAYDOADKUEQ-UHFFFAOYSA-N	-2	3	272.235	2.361	20	30		CEEDHL
C=CCn1c(S[C@H](CC(C)(C)C)C(=O)[O-])n[n-]c1=O	ZINC000833380753	605153541	/nfs/dbraw/zinc/15/35/41/605153541.db2.gz	OCQPXLBICNTNFD-MRVPVSSYSA-N	-2	3	285.369	2.151	20	30		CEEDHL
CC(C)(CCN=c1[n-]c(C#N)c(Cl)s1)C(=O)[O-]	ZINC000595970628	345918987	/nfs/dbraw/zinc/91/89/87/345918987.db2.gz	ZIOKYBPLOQRTBE-UHFFFAOYSA-N	-2	3	273.745	2.003	20	30		CEEDHL
CC(=Cc1ccc([O-])c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193608917	369961157	/nfs/dbraw/zinc/96/11/57/369961157.db2.gz	BWECVRZYFIYVJT-YVMONPNESA-N	-2	3	285.278	2.355	20	30		CEEDHL
N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)cc2[O-])c1	ZINC000589190149	345069909	/nfs/dbraw/zinc/06/99/09/345069909.db2.gz	REOSSBYSGOZRBH-UHFFFAOYSA-N	-2	3	272.235	2.361	20	30		CEEDHL
Cc1cc(=O)[n-]c(NN=Cc2ccc([O-])c(Cl)c2)n1	ZINC000921254059	641240570	/nfs/dbraw/zinc/24/05/70/641240570.db2.gz	NGJBBOZYILJEJF-UHFFFAOYSA-N	-2	3	278.699	2.296	20	30		CEEDHL
N#Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1[O-]	ZINC000188835286	369416625	/nfs/dbraw/zinc/41/66/25/369416625.db2.gz	RJSGMZQTCFCYGN-UHFFFAOYSA-N	-2	3	272.235	2.361	20	30		CEEDHL
C=CCCCS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1	ZINC000291939206	377218118	/nfs/dbraw/zinc/21/81/18/377218118.db2.gz	XUVMRXKTIHFMJO-UHFFFAOYSA-N	-2	3	290.414	2.013	20	30		CEEDHL
COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c([O-])c1	ZINC000442700829	377982567	/nfs/dbraw/zinc/98/25/67/377982567.db2.gz	JIYQDSXRBNAAGZ-UHFFFAOYSA-N	-2	3	284.271	2.230	20	30		CEEDHL
CCOc1ccc(/C=N\C[C@H]2CCCN2C(=O)[O-])c([O-])c1	ZINC000739496078	574921146	/nfs/dbraw/zinc/92/11/46/574921146.db2.gz	BWSVSHFYJNIXIR-DZZSIBQASA-N	-2	3	292.335	2.352	20	30		CEEDHL
Cc1cc(=O)[n-]c(NN=Cc2cccc(Cl)c2[O-])n1	ZINC000753162103	575321070	/nfs/dbraw/zinc/32/10/70/575321070.db2.gz	NREQBLYREBPLPQ-UHFFFAOYSA-N	-2	3	278.699	2.296	20	30		CEEDHL
CC[C@H](NN=Cc1c([O-])cc(C)cc1Cl)C(=O)[O-]	ZINC000841642273	627290685	/nfs/dbraw/zinc/29/06/85/627290685.db2.gz	MISUKMRGKUTQTD-JTQLQIEISA-N	-2	3	270.716	2.141	20	30		CEEDHL
N#Cc1ccc(C(=O)Nc2ccccc2[O-])cc1[O-]	ZINC000188247554	249338126	/nfs/dbraw/zinc/33/81/26/249338126.db2.gz	KXRTXBFXMHRVTQ-UHFFFAOYSA-N	-2	3	254.245	2.222	20	30		CEEDHL
CCOc1ccc(/C=N/C[C@H]2CCCN2C(=O)[O-])c([O-])c1	ZINC000739496079	574921103	/nfs/dbraw/zinc/92/11/03/574921103.db2.gz	BWSVSHFYJNIXIR-GFQQVXNGSA-N	-2	3	292.335	2.352	20	30		CEEDHL
CC[C@@H](/N=C/c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000818261380	601498815	/nfs/dbraw/zinc/49/88/15/601498815.db2.gz	JIUTYZYAOXGASW-UWZPUTRXSA-N	-2	3	286.125	2.437	20	30		CEEDHL
C=CCCCCC[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC000871995292	649239841	/nfs/dbraw/zinc/23/98/41/649239841.db2.gz	QNEIPPQZWUWCQG-UHFFFAOYSA-N	-2	3	287.337	2.003	20	30		CEEDHL
N#Cc1cc([O-])cc(C(=O)Nc2c([O-])cccc2F)c1	ZINC000614297845	348176606	/nfs/dbraw/zinc/17/66/06/348176606.db2.gz	IGQTXZCKHOOSNL-UHFFFAOYSA-N	-2	3	272.235	2.361	20	30		CEEDHL
N#Cc1cc(NC(=O)c2c([O-])cccc2[O-])ccc1F	ZINC000092121006	180328092	/nfs/dbraw/zinc/32/80/92/180328092.db2.gz	TZPMUTKCJFGVPU-UHFFFAOYSA-N	-2	3	272.235	2.361	20	30		CEEDHL
COc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1[O-]	ZINC000442672244	377980019	/nfs/dbraw/zinc/98/00/19/377980019.db2.gz	PWSBOHNOTGOPJW-UHFFFAOYSA-N	-2	3	284.271	2.230	20	30		CEEDHL
CC(C#N)=C([O-])N=c1cc(-c2ccc(Cl)s2)[n-][nH]1	ZINC000336383001	394849686	/nfs/dbraw/zinc/84/96/86/394849686.db2.gz	PFXYOHVPALHURJ-LURJTMIESA-N	-2	3	280.740	2.312	20	30		CEEDHL
C=CCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000516783471	333082347	/nfs/dbraw/zinc/08/23/47/333082347.db2.gz	BCQYDLRQVIUFQH-UHFFFAOYSA-N	-2	3	287.337	2.003	20	30		CEEDHL
CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1[O-]	ZINC000550109318	334213246	/nfs/dbraw/zinc/21/32/46/334213246.db2.gz	CFUXRHUGUNCJFM-UHFFFAOYSA-N	-2	3	268.338	2.074	20	30		CEEDHL
CC(=NNCCC(=O)[O-])c1ccc2ccccc2c1[O-]	ZINC000819726812	597743394	/nfs/dbraw/zinc/74/33/94/597743394.db2.gz	ROZIAXZUBNBGIH-UHFFFAOYSA-N	-2	3	272.304	2.334	20	30		CEEDHL
O=C([O-])c1ccc(N=NCc2cccc(F)c2[O-])nc1	ZINC000763369653	645539406	/nfs/dbraw/zinc/53/94/06/645539406.db2.gz	VYWFTJYWEDPZTI-UHFFFAOYSA-N	-2	3	275.239	2.071	20	30		CEEDHL
O=C([O-])c1ccc(NN=Cc2cccc(F)c2[O-])nc1	ZINC000763369653	645539408	/nfs/dbraw/zinc/53/94/08/645539408.db2.gz	VYWFTJYWEDPZTI-UHFFFAOYSA-N	-2	3	275.239	2.071	20	30		CEEDHL
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC000871994581	649240166	/nfs/dbraw/zinc/24/01/66/649240166.db2.gz	YIIZOVIRRRXWHP-SECBINFHSA-N	-2	3	287.337	2.001	20	30		CEEDHL
COc1cccc([O-])c1/C=N/C[C@@H](NC(=O)[O-])C(C)C	ZINC000739952321	574433516	/nfs/dbraw/zinc/43/35/16/574433516.db2.gz	LWZGVYYBVUEWCF-LBMJDHPKSA-N	-2	3	280.324	2.112	20	30		CEEDHL
Cc1ccc([O-])c(C=NNc2ccc(C(=O)[O-])cc2)n1	ZINC000728777259	574469392	/nfs/dbraw/zinc/46/93/92/574469392.db2.gz	FHAFNJCXYKEOPC-UHFFFAOYSA-N	-2	3	271.276	2.240	20	30		CEEDHL
O=C([O-])Cc1cccc(N=Cc2cccc([O-])c2O)c1	ZINC000738620215	574871093	/nfs/dbraw/zinc/87/10/93/574871093.db2.gz	KKPQJCHSYIFWJH-UHFFFAOYSA-N	-2	3	271.272	2.476	20	30		CEEDHL
Cc1ccc(NN=Cc2cc(C(=O)[O-])ccc2[O-])nc1	ZINC000738633140	574871860	/nfs/dbraw/zinc/87/18/60/574871860.db2.gz	YTNAGDPCOJWXOH-UHFFFAOYSA-N	-2	3	271.276	2.240	20	30		CEEDHL
O=C([O-])NC[C@@H]1CCC[C@H]1/N=C/c1ccccc1[O-]	ZINC000740619076	574961686	/nfs/dbraw/zinc/96/16/86/574961686.db2.gz	ARUACRQDCMFDNR-DLVFKZMPSA-N	-2	3	262.309	2.247	20	30		CEEDHL
CCCCCCC[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC000871995047	631223972	/nfs/dbraw/zinc/22/39/72/631223972.db2.gz	HVXHPVVMNFITES-UHFFFAOYSA-N	-2	3	289.353	2.227	20	30		CEEDHL
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000570925557	395584010	/nfs/dbraw/zinc/58/40/10/395584010.db2.gz	AHIBJLYEONPBAU-SECBINFHSA-N	-2	3	287.337	2.001	20	30		CEEDHL
N#Cc1ccc([C@@H](OC(=O)c2ccc([O-])cc2)C(=O)[O-])cc1	ZINC000739113819	574896148	/nfs/dbraw/zinc/89/61/48/574896148.db2.gz	CAECZFGLODWRTP-CQSZACIVSA-N	-2	3	297.266	2.247	20	30		CEEDHL
N#Cc1ccc(NN=Cc2cc(C(=O)[O-])ccc2[O-])cc1	ZINC000739120756	574896454	/nfs/dbraw/zinc/89/64/54/574896454.db2.gz	DJLYXZJDHHGKPT-UHFFFAOYSA-N	-2	3	281.271	2.408	20	30		CEEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-]	ZINC000088472268	363898323	/nfs/dbraw/zinc/89/83/23/363898323.db2.gz	IYXNRDMMAWHTNG-JTQLQIEISA-N	-2	3	296.348	2.046	20	30		CEEDHL
CCOc1ccc(/C=N\[C@@H]2CCCN(C(=O)[O-])C2)c([O-])c1	ZINC000737200970	574815715	/nfs/dbraw/zinc/81/57/15/574815715.db2.gz	ZVDWGAIQNNCULX-DZZSIBQASA-N	-2	3	292.335	2.352	20	30		CEEDHL
CC(=NOCC(C)C)c1cc(C(=O)[O-])ccc1[O-]	ZINC000749636533	575228110	/nfs/dbraw/zinc/22/81/10/575228110.db2.gz	PENWNBLVSFIWCU-UHFFFAOYSA-N	-2	3	251.282	2.487	20	30		CEEDHL
CCCCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)C(=O)[O-]	ZINC000829311684	601365465	/nfs/dbraw/zinc/36/54/65/601365465.db2.gz	INDRTTKAROTSNP-QOSBVPTNSA-N	-2	3	294.351	2.040	20	30		CEEDHL
C[C@@H](/N=C\c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000738941484	602096319	/nfs/dbraw/zinc/09/63/19/602096319.db2.gz	BYHPLJZRPVBTOO-BUMXUPNCSA-N	-2	3	272.098	2.047	20	30		CEEDHL
C=C(C)[C@H]1CC=C(C)[C@H](OCCP(=O)([O-])[O-])C1	ZINC001224606799	806863657	/nfs/dbraw/zinc/86/36/57/806863657.db2.gz	SECKXCGZLZFXNW-NWDGAFQWSA-N	-2	3	260.270	2.482	20	30		CEEDHL
C=C1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC000724462325	803118727	/nfs/dbraw/zinc/11/87/27/803118727.db2.gz	UCIZQEARHRSKHG-UHFFFAOYSA-N	-2	3	299.348	2.003	20	30		CEEDHL
Cc1nc(C=Cc2ccccc2C#N)[n-]c(=O)c1CC(=O)[O-]	ZINC000349106404	369245518	/nfs/dbraw/zinc/24/55/18/369245518.db2.gz	ILDVUBHFAODNAQ-SREVYHEPSA-N	-2	3	295.298	2.160	20	30		CEEDHL
CCOc1ccc(/C=N/CCSCC(=O)[O-])c([O-])c1	ZINC000737200711	574815726	/nfs/dbraw/zinc/81/57/26/574815726.db2.gz	TWAVTDAIVGCBSS-RIYZIHGNSA-N	-2	3	283.349	2.028	20	30		CEEDHL
O=C([O-])N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1	ZINC000740507869	574956784	/nfs/dbraw/zinc/95/67/84/574956784.db2.gz	QYRPSPCBGSNTJP-GCIHHOABSA-N	-2	3	268.700	2.217	20	30		CEEDHL
N#Cc1ccc([O-])c(NC(=O)c2cc(-c3ccco3)[n-]n2)c1	ZINC000748005323	575177487	/nfs/dbraw/zinc/17/74/87/575177487.db2.gz	ATHOADWJYLLKJL-UHFFFAOYSA-N	-2	3	294.270	2.499	20	30		CEEDHL
N#Cc1ccc([O-])c(NC(=O)c2cc(-c3ccco3)n[n-]2)c1	ZINC000748005323	575177488	/nfs/dbraw/zinc/17/74/88/575177488.db2.gz	ATHOADWJYLLKJL-UHFFFAOYSA-N	-2	3	294.270	2.499	20	30		CEEDHL
C[C@@H](/N=C/c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000738941490	602096612	/nfs/dbraw/zinc/09/66/12/602096612.db2.gz	BYHPLJZRPVBTOO-HDDZKMFUSA-N	-2	3	272.098	2.047	20	30		CEEDHL
N#Cc1cccc(S(=O)(=O)[N-]c2cccc([O-])c2)c1	ZINC000021520866	171316171	/nfs/dbraw/zinc/31/61/71/171316171.db2.gz	WITMKSDBYPRARH-UHFFFAOYSA-N	-2	3	274.301	2.065	20	30		CEEDHL
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc([O-])c(CO)c1	ZINC000436663089	268207304	/nfs/dbraw/zinc/20/73/04/268207304.db2.gz	IFAIZCUPTBOEEV-DAFODLJHSA-N	-2	3	296.282	2.020	20	30		CEEDHL
O=C([O-])N1CCCC[C@@H](/N=C/c2ccccc2[O-])C1	ZINC000740517444	574468018	/nfs/dbraw/zinc/46/80/18/574468018.db2.gz	FOIVYGQQHIZQGZ-KMHUVPDISA-N	-2	3	262.309	2.344	20	30		CEEDHL
CC(CC1(C(=O)[O-])CCC1)=NNc1cnnc([O-])c1Cl	ZINC000814782623	632895310	/nfs/dbraw/zinc/89/53/10/632895310.db2.gz	MYJIRFDBWULCTN-UHFFFAOYSA-N	-2	3	298.730	2.268	20	30		CEEDHL
CCC(C#N)=C([O-])N=c1[nH][n-]c(-c2ccc(C)o2)c1C	ZINC000593740349	345531057	/nfs/dbraw/zinc/53/10/57/345531057.db2.gz	VFSQCPAYRCKAPJ-JTQLQIEISA-N	-2	3	272.308	2.197	20	30		CEEDHL
CC(=Cc1cc([O-])cc(F)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435339938	395363855	/nfs/dbraw/zinc/36/38/55/395363855.db2.gz	ZEPUYTFHEKVTSJ-FPYGCLRLSA-N	-2	3	285.278	2.355	20	30		CEEDHL
CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc([O-])cc1F	ZINC000729931329	574496242	/nfs/dbraw/zinc/49/62/42/574496242.db2.gz	AEEYZALIPOHBBR-UHFFFAOYSA-N	-2	3	276.271	2.171	20	30		CEEDHL
C=CCSc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[n-]1	ZINC000736114177	574776506	/nfs/dbraw/zinc/77/65/06/574776506.db2.gz	JCKGESXASIQJSZ-UHFFFAOYSA-N	-2	3	277.305	2.015	20	30		CEEDHL
O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[O-]	ZINC000822928761	606857528	/nfs/dbraw/zinc/85/75/28/606857528.db2.gz	LZNSHSBRMQPREP-HJWRWDBZSA-N	-2	3	292.298	2.468	20	30		CEEDHL
C=CCO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000836370364	638613283	/nfs/dbraw/zinc/61/32/83/638613283.db2.gz	DIYPMFNCEKQKNI-UHFFFAOYSA-N	-2	3	256.331	2.075	20	30		CEEDHL
CC[C@H](NN=Cc1cc(Cl)c(C)cc1[O-])C(=O)[O-]	ZINC000853348921	643752087	/nfs/dbraw/zinc/75/20/87/643752087.db2.gz	QFASJNLNBRYVQR-JTQLQIEISA-N	-2	3	270.716	2.141	20	30		CEEDHL
Cc1cccc(S(=O)(=O)[N-]c2cccc([O-])c2)c1C#N	ZINC000134603404	280027037	/nfs/dbraw/zinc/02/70/37/280027037.db2.gz	ROZLGAYQXDNICT-UHFFFAOYSA-N	-2	3	288.328	2.373	20	30		CEEDHL
COc1cccc([O-])c1/C=N\[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000739952168	574937341	/nfs/dbraw/zinc/93/73/41/574937341.db2.gz	GVDILXBLJDSBAV-FRNFYVDWSA-N	-2	3	292.335	2.256	20	30		CEEDHL
C=CC[C@H](OCCP(=O)([O-])[O-])c1ccccc1	ZINC001224604799	806863369	/nfs/dbraw/zinc/86/33/69/806863369.db2.gz	FYYYTWVSVVRLPP-LBPRGKRZSA-N	-2	3	256.238	2.498	20	30		CEEDHL
N#Cc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1F	ZINC000619864668	349240684	/nfs/dbraw/zinc/24/06/84/349240684.db2.gz	UIXCHIAOKFJDCZ-DUXPYHPUSA-N	-2	3	285.234	2.062	20	30		CEEDHL
C=CCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC	ZINC000291865641	377213976	/nfs/dbraw/zinc/21/39/76/377213976.db2.gz	KPXJAPOEMZWPCF-UHFFFAOYSA-N	-2	3	299.348	2.101	20	30		CEEDHL
CC(C)[C@@H](C/N=C/c1ccccc1[O-])NC(=O)[O-]	ZINC000738772835	574878008	/nfs/dbraw/zinc/87/80/08/574878008.db2.gz	HGZXIZCQZXJFPO-LLUUXILJSA-N	-2	3	250.298	2.103	20	30		CEEDHL
O=C([O-])NC1CCC(/N=C\c2ccccc2[O-])CC1	ZINC000740552997	574959053	/nfs/dbraw/zinc/95/90/53/574959053.db2.gz	OATHKDSAUMTPFW-DHDCSXOGSA-N	-2	3	262.309	2.390	20	30		CEEDHL
N#CC1CCC(OCCCCP(=O)([O-])[O-])CC1	ZINC001225023613	807117653	/nfs/dbraw/zinc/11/76/53/807117653.db2.gz	ZFDMXKJZXOUTQD-UHFFFAOYSA-N	-2	3	261.258	2.043	20	30		CEEDHL
N#Cc1cccc(NN=Cc2cc(C(=O)[O-])ccc2[O-])c1	ZINC000739133413	574896690	/nfs/dbraw/zinc/89/66/90/574896690.db2.gz	GTWJZGXUGLWAGC-UHFFFAOYSA-N	-2	3	281.271	2.408	20	30		CEEDHL
CCOc1ccc(/C=N/C[C@@H]2CCCN2C(=O)[O-])c([O-])c1	ZINC000739496081	574921193	/nfs/dbraw/zinc/92/11/93/574921193.db2.gz	BWSVSHFYJNIXIR-RGZVIEDOSA-N	-2	3	292.335	2.352	20	30		CEEDHL
O=C([O-])Cc1ccccc1N=Cc1ccc(O)c([O-])c1O	ZINC000819585683	601365344	/nfs/dbraw/zinc/36/53/44/601365344.db2.gz	BEBDWELWKYRCEO-UHFFFAOYSA-N	-2	3	287.271	2.181	20	30		CEEDHL
C=C[C@H](C)O[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O	ZINC000846546939	641335973	/nfs/dbraw/zinc/33/59/73/641335973.db2.gz	MLUNJEKUEFCMQE-QMMMGPOBSA-N	-2	3	279.340	2.024	20	30		CEEDHL
CCC(C#N)=C([O-])N=c1[nH][n-]c(-c2ccc(C)o2)c1C	ZINC000593740350	345530852	/nfs/dbraw/zinc/53/08/52/345530852.db2.gz	VFSQCPAYRCKAPJ-SNVBAGLBSA-N	-2	3	272.308	2.197	20	30		CEEDHL
COc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)ccc1[O-]	ZINC000831861003	601445121	/nfs/dbraw/zinc/44/51/21/601445121.db2.gz	JSTRJMPVVMXWNV-DAXSKMNVSA-N	-2	3	287.271	2.323	20	30		CEEDHL
C=CCCS(=O)(=O)[N-]c1ccc(Cl)cc1[O-]	ZINC000132434342	333980304	/nfs/dbraw/zinc/98/03/04/333980304.db2.gz	BDQPTSHGZNZIID-UHFFFAOYSA-N	-2	3	261.730	2.363	20	30		CEEDHL
Cc1ccc([O-])c(C=NNc2cccc(C(=O)[O-])c2)n1	ZINC000728777307	574469411	/nfs/dbraw/zinc/46/94/11/574469411.db2.gz	FXSAMBHJEKHBIY-UHFFFAOYSA-N	-2	3	271.276	2.240	20	30		CEEDHL
CCOc1ccc(/C=N\C[C@@H]2CCCN2C(=O)[O-])c([O-])c1	ZINC000739496080	574921029	/nfs/dbraw/zinc/92/10/29/574921029.db2.gz	BWSVSHFYJNIXIR-PFSWGADMSA-N	-2	3	292.335	2.352	20	30		CEEDHL
COc1cccc([O-])c1/C=N/[C@H]1CCCCN(C(=O)[O-])C1	ZINC000739952267	574937374	/nfs/dbraw/zinc/93/73/74/574937374.db2.gz	KTMUHRJVBDFNND-UJFYRASASA-N	-2	3	292.335	2.352	20	30		CEEDHL
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc([O-])c(F)c1	ZINC000763368903	604666032	/nfs/dbraw/zinc/66/60/32/604666032.db2.gz	BWZBTSMIHQFXQO-UHFFFAOYSA-N	-2	3	289.266	2.461	20	30		CEEDHL
O=C([O-])c1ccc(N=NCc2ccc([O-])c(F)c2)nc1	ZINC000763370239	645539453	/nfs/dbraw/zinc/53/94/53/645539453.db2.gz	OJIPFMCKMGLGRE-UHFFFAOYSA-N	-2	3	275.239	2.071	20	30		CEEDHL
CCCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000703748677	809682786	/nfs/dbraw/zinc/68/27/86/809682786.db2.gz	QRCUKEIZGKFNQT-UHFFFAOYSA-N	-2	3	289.353	2.227	20	30		CEEDHL
N#Cc1ccc([O-])c(Nc2cncc(C(=O)[O-])c2)c1	ZINC001175843637	816290512	/nfs/dbraw/zinc/29/05/12/816290512.db2.gz	QSUTWOQJMJOJFX-UHFFFAOYSA-N	-2	3	255.233	2.101	20	30		CEEDHL
CC(C)(C#N)CCS(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000593210987	345453475	/nfs/dbraw/zinc/45/34/75/345453475.db2.gz	MTBZIBFMIYQVEN-UHFFFAOYSA-N	-2	3	286.328	2.213	20	30		CEEDHL
CC(C)(C)n1cc(/C=C/C(=O)c2ccc([O-])cc2[O-])nn1	ZINC000191319168	369700932	/nfs/dbraw/zinc/70/09/32/369700932.db2.gz	BBGQKJOGKJYXSE-QPJJXVBHSA-N	-2	3	287.319	2.340	20	30		CEEDHL
O=C([O-])N1CCCC[C@H](/N=C\c2ccccc2[O-])C1	ZINC000740517445	574468032	/nfs/dbraw/zinc/46/80/32/574468032.db2.gz	FOIVYGQQHIZQGZ-ZENNRRHLSA-N	-2	3	262.309	2.344	20	30		CEEDHL
N#Cc1ccc([C@H](OC(=O)c2ccc([O-])cc2)C(=O)[O-])cc1	ZINC000739113818	574896093	/nfs/dbraw/zinc/89/60/93/574896093.db2.gz	CAECZFGLODWRTP-AWEZNQCLSA-N	-2	3	297.266	2.247	20	30		CEEDHL
CC(CCCCCCC(=O)[O-])=NN=c1cc[n-]n1C	ZINC000814907672	632922038	/nfs/dbraw/zinc/92/20/38/632922038.db2.gz	UEDGQWQXYIWYPW-UHFFFAOYSA-N	-2	3	266.345	2.055	20	30		CEEDHL
CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(F)cc1[O-]	ZINC000517748184	260036265	/nfs/dbraw/zinc/03/62/65/260036265.db2.gz	QQTGFDZDAUQRCZ-UHFFFAOYSA-N	-2	3	286.328	2.213	20	30		CEEDHL
CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(F)ccc1[O-]	ZINC000550106012	334213274	/nfs/dbraw/zinc/21/32/74/334213274.db2.gz	HMEKCUGIHKAGEF-UHFFFAOYSA-N	-2	3	286.328	2.213	20	30		CEEDHL
COc1cccc([O-])c1/C=N\[C@@H]1CCCCN(C(=O)[O-])C1	ZINC000739952268	574937422	/nfs/dbraw/zinc/93/74/22/574937422.db2.gz	KTMUHRJVBDFNND-WIWNTQSISA-N	-2	3	292.335	2.352	20	30		CEEDHL
C=C[C@@H](C)O[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000844529786	640758587	/nfs/dbraw/zinc/75/85/87/640758587.db2.gz	XAMNEBYVRBYCST-SSDOTTSWSA-N	-2	3	270.358	2.463	20	30		CEEDHL
C=C[C@H](C)O[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000844529787	640758987	/nfs/dbraw/zinc/75/89/87/640758987.db2.gz	XAMNEBYVRBYCST-ZETCQYMHSA-N	-2	3	270.358	2.463	20	30		CEEDHL
COc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176396595	807522255	/nfs/dbraw/zinc/52/22/55/807522255.db2.gz	MGRZAIGEZMACOF-UHFFFAOYSA-N	-2	3	284.271	2.230	20	30		CEEDHL
Cc1nc(C=Cc2ccccc2C#N)[n-]c(=O)c1CC(=O)[O-]	ZINC000349106406	369245452	/nfs/dbraw/zinc/24/54/52/369245452.db2.gz	ILDVUBHFAODNAQ-VOTSOKGWSA-N	-2	3	295.298	2.160	20	30		CEEDHL
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000398131828	375346747	/nfs/dbraw/zinc/34/67/47/375346747.db2.gz	FRBFXHRJGYJCQB-SECBINFHSA-N	-2	3	287.337	2.001	20	30		CEEDHL
N#Cc1cccc([C@@H](OC(=O)c2ccc([O-])cc2)C(=O)[O-])c1	ZINC000833077743	601344787	/nfs/dbraw/zinc/34/47/87/601344787.db2.gz	ZVROQHQVUVDJRV-CQSZACIVSA-N	-2	3	297.266	2.247	20	30		CEEDHL
CCCCCCCS(=O)(=O)[N-]c1n[n-]c(C(F)F)n1	ZINC000903150161	634996756	/nfs/dbraw/zinc/99/67/56/634996756.db2.gz	NQBKGEWQIBGSDX-UHFFFAOYSA-N	-2	3	296.343	2.454	20	30		CEEDHL
Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc([O-])cc(C#N)c1	ZINC000592950636	345416342	/nfs/dbraw/zinc/41/63/42/345416342.db2.gz	XSOPEJZTHTXVJH-UHFFFAOYSA-N	-2	3	284.319	2.093	20	30		CEEDHL
Cc1nc(C=Cc2cccc(C#N)c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000347416257	218227519	/nfs/dbraw/zinc/22/75/19/218227519.db2.gz	KEZOMPBNOVKXEJ-WAYWQWQTSA-N	-2	3	295.298	2.160	20	30		CEEDHL
Cc1[n-][nH]c(=NC(=O)c2cc([O-])c3ccccc3c2)c1C#N	ZINC000356158481	394550126	/nfs/dbraw/zinc/55/01/26/394550126.db2.gz	ALBSWWBGINAMQC-UHFFFAOYSA-N	-2	3	292.298	2.123	20	30		CEEDHL
C=CCCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F	ZINC000568464751	395560569	/nfs/dbraw/zinc/56/05/69/395560569.db2.gz	UOVQMDRPFJAVRM-UHFFFAOYSA-N	-2	3	287.312	2.232	20	30		CEEDHL
C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000570925560	327635903	/nfs/dbraw/zinc/63/59/03/327635903.db2.gz	AHIBJLYEONPBAU-VIFPVBQESA-N	-2	3	287.337	2.001	20	30		CEEDHL
COc1cccc([O-])c1/C=N\Cc1ccc(C(=O)[O-])o1	ZINC000738106958	574852078	/nfs/dbraw/zinc/85/20/78/574852078.db2.gz	RBIBGIWZLSILSX-NVNXTCNLSA-N	-2	3	275.260	2.311	20	30		CEEDHL
C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-]	ZINC000120174630	365384646	/nfs/dbraw/zinc/38/46/46/365384646.db2.gz	FZPUOGJZRVAKDT-UHFFFAOYSA-N	-2	3	261.730	2.363	20	30		CEEDHL
N#Cc1csc(/C=C\C(=O)c2ccc([O-])cc2[O-])n1	ZINC000811692774	632424352	/nfs/dbraw/zinc/42/43/52/632424352.db2.gz	HXOABHWNZVCEOL-ARJAWSKDSA-N	-2	3	272.285	2.322	20	30		CEEDHL
CC[C@@H](NN=Cc1cc(Cl)c(C)cc1[O-])C(=O)[O-]	ZINC000853348925	643752372	/nfs/dbraw/zinc/75/23/72/643752372.db2.gz	QFASJNLNBRYVQR-SNVBAGLBSA-N	-2	3	270.716	2.141	20	30		CEEDHL
COc1cccc([O-])c1/C=N/[C@@H]1CCCCN(C(=O)[O-])C1	ZINC000739952265	574937479	/nfs/dbraw/zinc/93/74/79/574937479.db2.gz	KTMUHRJVBDFNND-LKBVRNOZSA-N	-2	3	292.335	2.352	20	30		CEEDHL
COc1ccc([O-])c([N-]S(=O)(=O)CCC(C)(C)C#N)c1	ZINC000593207365	345453736	/nfs/dbraw/zinc/45/37/36/345453736.db2.gz	TUYRXVFGYYTMLT-UHFFFAOYSA-N	-2	3	298.364	2.082	20	30		CEEDHL
N#Cc1cc([O-])cc(C(=O)Nc2cc(F)ccc2[O-])c1	ZINC000614300584	348176592	/nfs/dbraw/zinc/17/65/92/348176592.db2.gz	LCTXPAJGNUIKPX-UHFFFAOYSA-N	-2	3	272.235	2.361	20	30		CEEDHL
C[C@@H](C/N=C/c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000736585522	574792913	/nfs/dbraw/zinc/79/29/13/574792913.db2.gz	KFFMWXWAGUETOJ-PQHBYJLHSA-N	-2	3	286.125	2.294	20	30		CEEDHL
CCOc1ccc(/C=N/[C@@H]2CCCN(C(=O)[O-])C2)c([O-])c1	ZINC000737200975	574815795	/nfs/dbraw/zinc/81/57/95/574815795.db2.gz	ZVDWGAIQNNCULX-GFQQVXNGSA-N	-2	3	292.335	2.352	20	30		CEEDHL
C=C1CCC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000724456498	803118090	/nfs/dbraw/zinc/11/80/90/803118090.db2.gz	CQYZGRXMCHLRJN-UHFFFAOYSA-N	-2	3	299.348	2.003	20	30		CEEDHL
N#Cc1ccc2c(c1)N(C(=O)c1c([O-])cccc1[O-])CC2	ZINC000436650317	395139726	/nfs/dbraw/zinc/13/97/26/395139726.db2.gz	YTZQKJVUHGUVMO-UHFFFAOYSA-N	-2	3	280.283	2.172	20	30		CEEDHL
COc1cccc([O-])c1/C=N/[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000739952170	574937408	/nfs/dbraw/zinc/93/74/08/574937408.db2.gz	GVDILXBLJDSBAV-WKIQKQIYSA-N	-2	3	292.335	2.256	20	30		CEEDHL
C=CCCC(C)(C)[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC000871995309	649240004	/nfs/dbraw/zinc/24/00/04/649240004.db2.gz	ROLAGBCVTMZPDE-UHFFFAOYSA-N	-2	3	287.337	2.001	20	30		CEEDHL
N#Cc1ccc(C(=O)NCc2c([O-])cccc2F)cc1[O-]	ZINC001178412575	816743296	/nfs/dbraw/zinc/74/32/96/816743296.db2.gz	ALCMDJSFEYKLQB-UHFFFAOYSA-N	-2	3	286.262	2.039	20	30		CEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)s1	ZINC000568479575	395561285	/nfs/dbraw/zinc/56/12/85/395561285.db2.gz	QQZLQJYQWSREFD-UHFFFAOYSA-N	-2	3	298.320	2.265	20	30		CEEDHL
C=CCn1c(=O)[n-]nc1SCc1ccccc1C(=O)[O-]	ZINC000825711323	601865528	/nfs/dbraw/zinc/86/55/28/601865528.db2.gz	ZEQWGCXEFDBIHY-UHFFFAOYSA-N	-2	3	291.332	2.160	20	30		CEEDHL
C=CCCC[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC000871994582	649240060	/nfs/dbraw/zinc/24/00/60/649240060.db2.gz	YIIZOVIRRRXWHP-VIFPVBQESA-N	-2	3	287.337	2.001	20	30		CEEDHL
CCC(C#N)=C([O-])N=c1cc(-c2cccs2)[n-][nH]1	ZINC000593894359	345549533	/nfs/dbraw/zinc/54/95/33/345549533.db2.gz	ZUGCIDKOVRPRBD-QMMMGPOBSA-N	-2	3	260.322	2.048	20	30		CEEDHL
CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc([O-])c(F)c1	ZINC000728430248	574466174	/nfs/dbraw/zinc/46/61/74/574466174.db2.gz	PMVMVQZQPXBNMB-UHFFFAOYSA-N	-2	3	276.271	2.171	20	30		CEEDHL
COc1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c([O-])c1	ZINC000566682534	377765889	/nfs/dbraw/zinc/76/58/89/377765889.db2.gz	SOLMISCHOIWVRV-UHFFFAOYSA-N	-2	3	298.364	2.082	20	30		CEEDHL
CC(=NOCc1cccnc1)c1cc(C(=O)[O-])ccc1[O-]	ZINC000746575851	574509141	/nfs/dbraw/zinc/50/91/41/574509141.db2.gz	DLRSLNBPWUYXQV-UHFFFAOYSA-N	-2	3	286.287	2.426	20	30		CEEDHL
Cc1nc(C=Cc2cccc(C#N)c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000347416255	218227111	/nfs/dbraw/zinc/22/71/11/218227111.db2.gz	KEZOMPBNOVKXEJ-AATRIKPKSA-N	-2	3	295.298	2.160	20	30		CEEDHL
O=C([O-])Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1	ZINC000738619867	574871129	/nfs/dbraw/zinc/87/11/29/574871129.db2.gz	DKNXQBTXBWEQBV-UHFFFAOYSA-N	-2	3	287.271	2.181	20	30		CEEDHL
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1[O-]	ZINC000763372384	604669338	/nfs/dbraw/zinc/66/93/38/604669338.db2.gz	XETAXQRXIXKYCQ-UHFFFAOYSA-N	-2	3	289.266	2.461	20	30		CEEDHL
C=CC[C@@H](OCCP(=O)([O-])[O-])c1ccccc1	ZINC001224604791	806864450	/nfs/dbraw/zinc/86/44/50/806864450.db2.gz	FYYYTWVSVVRLPP-GFCCVEGCSA-N	-2	3	256.238	2.498	20	30		CEEDHL
N#Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1[O-]	ZINC000188536979	369372918	/nfs/dbraw/zinc/37/29/18/369372918.db2.gz	OZFPIRBUNRGTLY-UHFFFAOYSA-N	-2	3	286.262	2.039	20	30		CEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2)s1	ZINC000230349212	153391683	/nfs/dbraw/zinc/39/16/83/153391683.db2.gz	XFVVYOZVEUWSQZ-UHFFFAOYSA-N	-2	3	280.330	2.126	20	30		CEEDHL
C=CCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000562353462	327474769	/nfs/dbraw/zinc/47/47/69/327474769.db2.gz	HTLWQGPIYYTDOV-UHFFFAOYSA-N	-2	3	287.312	2.232	20	30		CEEDHL
O=C([O-])c1ccc([O-])c(C=NNCc2cccc(F)c2)c1	ZINC000740155870	574443039	/nfs/dbraw/zinc/44/30/39/574443039.db2.gz	ZMFCIWXEKZXNTD-UHFFFAOYSA-N	-2	3	288.278	2.353	20	30		CEEDHL
O=C([O-])NC[C@@H]1CCC[C@@H]1/N=C/c1ccccc1[O-]	ZINC000740619077	574961696	/nfs/dbraw/zinc/96/16/96/574961696.db2.gz	ARUACRQDCMFDNR-PZGJRYIUSA-N	-2	3	262.309	2.247	20	30		CEEDHL
CC[C@@H](/N=C\c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000818261379	601498736	/nfs/dbraw/zinc/49/87/36/601498736.db2.gz	JIUTYZYAOXGASW-JHFYRWCBSA-N	-2	3	286.125	2.437	20	30		CEEDHL
CC[C@@H](NN=Cc1ccc2ccccc2c1[O-])C(=O)[O-]	ZINC000814936682	632935676	/nfs/dbraw/zinc/93/56/76/632935676.db2.gz	GBPFHBNRPLGNJJ-CYBMUJFWSA-N	-2	3	272.304	2.332	20	30		CEEDHL
C[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000738217127	574854262	/nfs/dbraw/zinc/85/42/62/574854262.db2.gz	BYHPLJZRPVBTOO-QOICWCORSA-N	-2	3	272.098	2.047	20	30		CEEDHL
CCCCN([O-])C(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000904210728	635502215	/nfs/dbraw/zinc/50/22/15/635502215.db2.gz	ZGRTXSBFEXCJSJ-UHFFFAOYSA-N	-2	3	293.298	2.349	20	30		CEEDHL
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1[O-]	ZINC000230366359	153390088	/nfs/dbraw/zinc/39/00/88/153390088.db2.gz	IQNCOOPHABOTRG-UHFFFAOYSA-N	-2	3	294.357	2.435	20	30		CEEDHL
N#CC=C([O-])N=c1cc(-c2ccc(Cl)s2)[n-][nH]1	ZINC000334621304	225160933	/nfs/dbraw/zinc/16/09/33/225160933.db2.gz	ZSJUBZXVGQQZFY-UHFFFAOYSA-N	-2	3	266.713	2.066	20	30		CEEDHL
O=C([O-])N1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1	ZINC000740507870	574956974	/nfs/dbraw/zinc/95/69/74/574956974.db2.gz	QYRPSPCBGSNTJP-PJJXNUOTSA-N	-2	3	268.700	2.217	20	30		CEEDHL
C=C(C)[C@@H]1CC=C(C)[C@H](OCCP(=O)([O-])[O-])C1	ZINC001224606801	806864276	/nfs/dbraw/zinc/86/42/76/806864276.db2.gz	SECKXCGZLZFXNW-VXGBXAGGSA-N	-2	3	260.270	2.482	20	30		CEEDHL
COc1cccc([O-])c1/C=N/C1CCC(C(=O)[O-])CC1	ZINC000738106412	574851864	/nfs/dbraw/zinc/85/18/64/574851864.db2.gz	LCOQHQIAUYLORW-CXUHLZMHSA-N	-2	3	277.320	2.463	20	30		CEEDHL
COc1cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)ccc1[O-]	ZINC000831861353	601791886	/nfs/dbraw/zinc/79/18/86/601791886.db2.gz	WUMPYEFKHUOYEH-DUXPYHPUSA-N	-2	3	287.271	2.323	20	30		CEEDHL
CC(=N[N-]c1oc(C)nc1C#N)c1csc(C(=O)[O-])c1	ZINC000814814105	632903126	/nfs/dbraw/zinc/90/31/26/632903126.db2.gz	XBNCGUHWWNJZQI-UHFFFAOYSA-N	-2	3	290.304	2.451	20	30		CEEDHL
N#Cc1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000161287329	232253631	/nfs/dbraw/zinc/25/36/31/232253631.db2.gz	QZVJQTQRIVVZEU-UHFFFAOYSA-N	-2	3	292.291	2.204	20	30		CEEDHL
COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c([O-])c1	ZINC000615435025	348328591	/nfs/dbraw/zinc/32/85/91/348328591.db2.gz	GSYKSAODOFSYSL-UHFFFAOYSA-N	-2	3	284.271	2.230	20	30		CEEDHL
CC(C#N)=C([O-])N=c1cc(-c2ccc(Cl)s2)[n-][nH]1	ZINC000336383006	394849493	/nfs/dbraw/zinc/84/94/93/394849493.db2.gz	PFXYOHVPALHURJ-ZCFIWIBFSA-N	-2	3	280.740	2.312	20	30		CEEDHL
CC[C@@H](NN=C(C)c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000793073965	648705285	/nfs/dbraw/zinc/70/52/85/648705285.db2.gz	YFATYPPFMUZTQT-SNVBAGLBSA-N	-2	3	270.716	2.222	20	30		CEEDHL
N#Cc1cccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1	ZINC000127876006	365766612	/nfs/dbraw/zinc/76/66/12/365766612.db2.gz	IORVTAUNXRYICI-UHFFFAOYSA-N	-2	3	292.291	2.204	20	30		CEEDHL
CCC(C#N)=C([O-])N=c1cc(-c2ccc(C)s2)[n-][nH]1	ZINC000593894028	345549762	/nfs/dbraw/zinc/54/97/62/345549762.db2.gz	SECKVTOUWQFKKP-VIFPVBQESA-N	-2	3	274.349	2.357	20	30		CEEDHL
CCOc1ccc(/C=N/[C@H]2CCCN(C(=O)[O-])C2)c([O-])c1	ZINC000737200980	574815749	/nfs/dbraw/zinc/81/57/49/574815749.db2.gz	ZVDWGAIQNNCULX-RGZVIEDOSA-N	-2	3	292.335	2.352	20	30		CEEDHL
O=C([O-])N1CC[C@@H](C/N=C/c2cc(Cl)ccc2[O-])C1	ZINC000834078016	606070345	/nfs/dbraw/zinc/07/03/45/606070345.db2.gz	IPVNIGMRSFKOEV-HXBVQPGFSA-N	-2	3	282.727	2.464	20	30		CEEDHL
CCC(C#N)=C([O-])N=c1cc(-c2cccs2)[n-][nH]1	ZINC000593894358	345549754	/nfs/dbraw/zinc/54/97/54/345549754.db2.gz	ZUGCIDKOVRPRBD-MRVPVSSYSA-N	-2	3	260.322	2.048	20	30		CEEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-]	ZINC000416962701	395098014	/nfs/dbraw/zinc/09/80/14/395098014.db2.gz	QZGNKCSWNURDCR-SNVBAGLBSA-N	-2	3	296.348	2.046	20	30		CEEDHL
Cc1ccc([O-])c(C=NNc2ccccc2C(=O)[O-])n1	ZINC000728779558	574469353	/nfs/dbraw/zinc/46/93/53/574469353.db2.gz	OBLGQWAOCNXICC-UHFFFAOYSA-N	-2	3	271.276	2.240	20	30		CEEDHL
CCOc1ccc(/C=N/CCN(C(=O)[O-])C2CC2)c([O-])c1	ZINC000739497740	574921219	/nfs/dbraw/zinc/92/12/19/574921219.db2.gz	PMQGAGQHHXYRNK-MHWRWJLKSA-N	-2	3	292.335	2.352	20	30		CEEDHL
CCCN(CCC)S(=O)(=O)[N-]c1cc(C#N)ccc1[O-]	ZINC000751215055	575284916	/nfs/dbraw/zinc/28/49/16/575284916.db2.gz	HFDSAIBXOZIYSD-UHFFFAOYSA-N	-2	3	297.380	2.043	20	30		CEEDHL
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccnc(F)c1)O2	ZINC000781130101	624791451	/nfs/dbraw/zinc/79/14/51/624791451.db2.gz	OFXPNBJJYJBHQI-UHFFFAOYSA-N	-2	3	287.250	2.235	20	30		CEEDHL
CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(F)cc(F)c1[O-]	ZINC000757451187	644786548	/nfs/dbraw/zinc/78/65/48/644786548.db2.gz	KONOMZMMVIBXKO-UHFFFAOYSA-N	-2	3	294.261	2.311	20	30		CEEDHL
O=C([O-])N1CCCC[C@@H](/N=C\c2ccccc2[O-])C1	ZINC000740517442	574468041	/nfs/dbraw/zinc/46/80/41/574468041.db2.gz	FOIVYGQQHIZQGZ-CDCQXCROSA-N	-2	3	262.309	2.344	20	30		CEEDHL
O=C([O-])c1ccc([O-])c(C=Nn2cnc3ccccc32)c1	ZINC000740162327	574945822	/nfs/dbraw/zinc/94/58/22/574945822.db2.gz	YNDYOCDSAVYKGJ-UHFFFAOYSA-N	-2	3	281.271	2.322	20	30		CEEDHL
O=C([O-])N1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1	ZINC000740507872	574956955	/nfs/dbraw/zinc/95/69/55/574956955.db2.gz	QYRPSPCBGSNTJP-XPWNQWCVSA-N	-2	3	268.700	2.217	20	30		CEEDHL
C=C(C)CO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O	ZINC000846537196	641328684	/nfs/dbraw/zinc/32/86/84/641328684.db2.gz	IMTDVLWAYKZQSR-UHFFFAOYSA-N	-2	3	279.340	2.026	20	30		CEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1	ZINC000127893770	365766356	/nfs/dbraw/zinc/76/63/56/365766356.db2.gz	NRNXSDMALIADCO-UHFFFAOYSA-N	-2	3	292.291	2.204	20	30		CEEDHL
N#Cc1cccc(NC(=O)c2c([O-])cccc2[O-])c1	ZINC000179385752	232393622	/nfs/dbraw/zinc/39/36/22/232393622.db2.gz	IXWUBAVMZPHJER-UHFFFAOYSA-N	-2	3	254.245	2.222	20	30		CEEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-]	ZINC000167736486	529270482	/nfs/dbraw/zinc/27/04/82/529270482.db2.gz	GVIASXKIEIEWFZ-VIFPVBQESA-N	-2	3	288.756	2.398	20	30		CEEDHL
CC(C)[C@H](C/N=C/c1ccccc1[O-])NC(=O)[O-]	ZINC000738772837	574878030	/nfs/dbraw/zinc/87/80/30/574878030.db2.gz	HGZXIZCQZXJFPO-NGPAHMQLSA-N	-2	3	250.298	2.103	20	30		CEEDHL
O=C([O-])COc1cccc(C/N=C/c2ccccc2[O-])c1	ZINC000739833719	574934294	/nfs/dbraw/zinc/93/42/94/574934294.db2.gz	YUMBJOOKUGFCPO-LICLKQGHSA-N	-2	3	285.299	2.475	20	30		CEEDHL
CCCCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)C(=O)[O-]	ZINC000829311686	601365218	/nfs/dbraw/zinc/36/52/18/601365218.db2.gz	INDRTTKAROTSNP-TVYFDWKESA-N	-2	3	294.351	2.040	20	30		CEEDHL
C=C[C@@]1(C)CC[C@@H](C(C)(C)OCCP(=O)([O-])[O-])O1	ZINC001224605467	806863800	/nfs/dbraw/zinc/86/38/00/806863800.db2.gz	JKPJFVALMIKSAP-JQWIXIFHSA-N	-2	3	278.285	2.083	20	30		CEEDHL
C[C@H](/N=C/c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000738217129	574854215	/nfs/dbraw/zinc/85/42/15/574854215.db2.gz	BYHPLJZRPVBTOO-XDZJJNIASA-N	-2	3	272.098	2.047	20	30		CEEDHL
CC[C@H](/N=C/c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000828900664	601498629	/nfs/dbraw/zinc/49/86/29/601498629.db2.gz	JIUTYZYAOXGASW-CVSYOPMASA-N	-2	3	286.125	2.437	20	30		CEEDHL
C=CCn1c(S[C@@H](CC(C)(C)C)C(=O)[O-])n[n-]c1=O	ZINC000833380754	605153620	/nfs/dbraw/zinc/15/36/20/605153620.db2.gz	OCQPXLBICNTNFD-QMMMGPOBSA-N	-2	3	285.369	2.151	20	30		CEEDHL
N#Cc1ccc([O-])c(NC(=O)/C=C\c2cncc([O-])c2)c1	ZINC000588410147	802864143	/nfs/dbraw/zinc/86/41/43/802864143.db2.gz	ILJGFTMLVBKYGC-RQOWECAXSA-N	-2	3	281.271	2.016	20	30		CEEDHL
N#Cc1cc([O-])cc(C(=O)NCc2ccc([O-])c(F)c2)c1	ZINC000614298879	348176517	/nfs/dbraw/zinc/17/65/17/348176517.db2.gz	YBWYFOHDHFNRBT-UHFFFAOYSA-N	-2	3	286.262	2.039	20	30		CEEDHL
COc1cccc([O-])c1/C=N\C[C@H](NC(=O)[O-])C(C)C	ZINC000739952324	574433472	/nfs/dbraw/zinc/43/34/72/574433472.db2.gz	LWZGVYYBVUEWCF-URXIRXLPSA-N	-2	3	280.324	2.112	20	30		CEEDHL
O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1[O-]	ZINC000826402119	607885678	/nfs/dbraw/zinc/88/56/78/607885678.db2.gz	NKEUCIFKEZITED-MDZDMXLPSA-N	-2	3	292.298	2.468	20	30		CEEDHL
Cc1nnc(NN=Cc2ccc3ccccc3c2[O-])[n-]c1=O	ZINC000814734854	632889800	/nfs/dbraw/zinc/88/98/00/632889800.db2.gz	JAZAPOCGDFPEMH-UHFFFAOYSA-N	-2	3	295.302	2.190	20	30		CEEDHL
CCCCN([O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000904212501	635521990	/nfs/dbraw/zinc/52/19/90/635521990.db2.gz	FXBODNZEUWKKIC-UHFFFAOYSA-N	-2	3	293.298	2.349	20	30		CEEDHL
C=CCCO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O	ZINC000856032049	644547742	/nfs/dbraw/zinc/54/77/42/644547742.db2.gz	FBEJZLYBHHJCDS-UHFFFAOYSA-N	-2	3	279.340	2.026	20	30		CEEDHL
CC[C@H](NN=C(C)c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000793073963	648705464	/nfs/dbraw/zinc/70/54/64/648705464.db2.gz	YFATYPPFMUZTQT-JTQLQIEISA-N	-2	3	270.716	2.222	20	30		CEEDHL
C=C(C)[C@H]1CC=C(C)[C@@H](OCCP(=O)([O-])[O-])C1	ZINC001224606800	806863395	/nfs/dbraw/zinc/86/33/95/806863395.db2.gz	SECKXCGZLZFXNW-RYUDHWBXSA-N	-2	3	260.270	2.482	20	30		CEEDHL
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc([O-])c1	ZINC000021814464	171331576	/nfs/dbraw/zinc/33/15/76/171331576.db2.gz	LBCNPTPTRQKAQP-UHFFFAOYSA-N	-2	3	274.301	2.065	20	30		CEEDHL
C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000663437257	414952650	/nfs/dbraw/zinc/95/26/50/414952650.db2.gz	WZGAHSHCLDITOY-UHFFFAOYSA-N	-2	3	287.337	2.001	20	30		CEEDHL
C=CCS(=O)(=O)[N-]c1c([O-])cccc1C(F)(F)F	ZINC001259931071	811876008	/nfs/dbraw/zinc/87/60/08/811876008.db2.gz	PSKGDDXZBCWVEL-UHFFFAOYSA-N	-2	3	281.255	2.339	20	30		CEEDHL
N#Cc1ccccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000131406542	394909030	/nfs/dbraw/zinc/90/90/30/394909030.db2.gz	ZLTQXGRIDJCVBT-UHFFFAOYSA-N	-2	3	292.291	2.204	20	30		CEEDHL
CCCCC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)C(=O)[O-]	ZINC000829311685	601365238	/nfs/dbraw/zinc/36/52/38/601365238.db2.gz	INDRTTKAROTSNP-RSQQOUAVSA-N	-2	3	294.351	2.040	20	30		CEEDHL
CCc1oc(C)c([O-])c1Oc1cc(C(=O)OC)ccc1[O-]	ZINC001227011522	805824209	/nfs/dbraw/zinc/82/42/09/805824209.db2.gz	IZRZXMBSGKVEGG-QMMMGPOBSA-N	-2	3	292.287	2.167	20	30		CEEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-]	ZINC000416962700	395097655	/nfs/dbraw/zinc/09/76/55/395097655.db2.gz	QZGNKCSWNURDCR-JTQLQIEISA-N	-2	3	296.348	2.046	20	30		CEEDHL
O=C([O-])CSCC/N=C/c1cc(Cl)ccc1[O-]	ZINC000739857814	574934922	/nfs/dbraw/zinc/93/49/22/574934922.db2.gz	MYFFXEBJLPXDCB-AWNIVKPZSA-N	-2	3	273.741	2.282	20	30		CEEDHL
CC(N=Nc1ccc(C(=O)[O-])cn1)c1sccc1[O-]	ZINC000769799691	646318286	/nfs/dbraw/zinc/31/82/86/646318286.db2.gz	PBKRKOWVGHJKJD-UHFFFAOYSA-N	-2	3	277.305	2.383	20	30		CEEDHL
C[C@@H](CC(C)(C)S)OCCCCP(=O)([O-])[O-]	ZINC001225018649	807114142	/nfs/dbraw/zinc/11/41/42/807114142.db2.gz	DODOVSJGHSFKJY-VIFPVBQESA-N	-2	3	270.331	2.448	20	30		CEEDHL
N#Cc1[n-]c(=NCCCCCC(=O)[O-])sc1Cl	ZINC000595965289	345918459	/nfs/dbraw/zinc/91/84/59/345918459.db2.gz	BJWUMYHLQOCCMD-UHFFFAOYSA-N	-2	3	273.745	2.147	20	30		CEEDHL
C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000274398540	373907171	/nfs/dbraw/zinc/90/71/71/373907171.db2.gz	CXNWUNDCRREWQK-UHFFFAOYSA-N	-2	3	289.378	2.081	20	30		CEEDHL
CC(=Cc1ccc([O-])c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000436963323	395168742	/nfs/dbraw/zinc/16/87/42/395168742.db2.gz	BWECVRZYFIYVJT-VMPITWQZSA-N	-2	3	285.278	2.355	20	30		CEEDHL
CC[C@@H](NN=Cc1c([O-])cc(C)cc1Cl)C(=O)[O-]	ZINC000841642274	627290793	/nfs/dbraw/zinc/29/07/93/627290793.db2.gz	MISUKMRGKUTQTD-SNVBAGLBSA-N	-2	3	270.716	2.141	20	30		CEEDHL
C=C[C@@H](C)O[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O	ZINC000846546937	641336336	/nfs/dbraw/zinc/33/63/36/641336336.db2.gz	MLUNJEKUEFCMQE-MRVPVSSYSA-N	-2	3	279.340	2.024	20	30		CEEDHL
C[C@H](CC(C)(C)S)OCCCCP(=O)([O-])[O-]	ZINC001225018648	807113912	/nfs/dbraw/zinc/11/39/12/807113912.db2.gz	DODOVSJGHSFKJY-SECBINFHSA-N	-2	3	270.331	2.448	20	30		CEEDHL
CCCCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000703739036	809683654	/nfs/dbraw/zinc/68/36/54/809683654.db2.gz	KLBBXILVIVIGTC-UHFFFAOYSA-N	-2	3	289.353	2.227	20	30		CEEDHL
COc1ccc([O-])c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000442644120	377974407	/nfs/dbraw/zinc/97/44/07/377974407.db2.gz	DDBPGECAGGIWOY-UHFFFAOYSA-N	-2	3	284.271	2.230	20	30		CEEDHL
O=C([O-])c1ccc([O-])c(C=NNc2ccc(F)cn2)c1	ZINC000740161425	574945813	/nfs/dbraw/zinc/94/58/13/574945813.db2.gz	QYCDBXIBOCMZBM-UHFFFAOYSA-N	-2	3	275.239	2.071	20	30		CEEDHL
N#Cc1cccc([C@H](OC(=O)c2ccc([O-])cc2)C(=O)[O-])c1	ZINC000833077742	601344813	/nfs/dbraw/zinc/34/48/13/601344813.db2.gz	ZVROQHQVUVDJRV-AWEZNQCLSA-N	-2	3	297.266	2.247	20	30		CEEDHL
COc1cc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)ccc1[O-]	ZINC000831861355	601791838	/nfs/dbraw/zinc/79/18/38/601791838.db2.gz	WUMPYEFKHUOYEH-RQOWECAXSA-N	-2	3	287.271	2.323	20	30		CEEDHL
CC[C@H](NN=Cc1ccc2ccccc2c1[O-])C(=O)[O-]	ZINC000814936683	632935819	/nfs/dbraw/zinc/93/58/19/632935819.db2.gz	GBPFHBNRPLGNJJ-ZDUSSCGKSA-N	-2	3	272.304	2.332	20	30		CEEDHL
N#C[C@H](OCCCCP(=O)([O-])[O-])c1ccccc1	ZINC001225021393	807115057	/nfs/dbraw/zinc/11/50/57/807115057.db2.gz	HAJVXKWCCWWJSL-LBPRGKRZSA-N	-2	3	269.237	2.226	20	30		CEEDHL
N#Cc1cc([O-])cc(C(=O)Nc2cccc([O-])c2)c1	ZINC000614357278	348186272	/nfs/dbraw/zinc/18/62/72/348186272.db2.gz	VBZUYWNJMZXGTN-UHFFFAOYSA-N	-2	3	254.245	2.222	20	30		CEEDHL
CCC(CC)NN=Cc1cc(C(=O)[O-])ccc1[O-]	ZINC000736900348	574799480	/nfs/dbraw/zinc/79/94/80/574799480.db2.gz	OXUWFMJXHBSZHN-UHFFFAOYSA-N	-2	3	250.298	2.203	20	30		CEEDHL
CC(=Cc1cc([O-])cc(F)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193611218	369961395	/nfs/dbraw/zinc/96/13/95/369961395.db2.gz	ZEPUYTFHEKVTSJ-BAQGIRSFSA-N	-2	3	285.278	2.355	20	30		CEEDHL
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000131529542	394912295	/nfs/dbraw/zinc/91/22/95/394912295.db2.gz	HXMFWBDWABHFEL-UHFFFAOYSA-N	-2	3	292.291	2.204	20	30		CEEDHL
CCOc1ccc(/C=N\[C@H]2CCCN(C(=O)[O-])C2)c([O-])c1	ZINC000737200977	574815757	/nfs/dbraw/zinc/81/57/57/574815757.db2.gz	ZVDWGAIQNNCULX-PFSWGADMSA-N	-2	3	292.335	2.352	20	30		CEEDHL
O=C([O-])c1ccc([O-])c(C=NNCc2ccccc2)c1	ZINC000740155825	574945525	/nfs/dbraw/zinc/94/55/25/574945525.db2.gz	VPKSWBFLDIJLHL-UHFFFAOYSA-N	-2	3	270.288	2.214	20	30		CEEDHL
CC[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000828900670	601498691	/nfs/dbraw/zinc/49/86/91/601498691.db2.gz	JIUTYZYAOXGASW-FVNYMESBSA-N	-2	3	286.125	2.437	20	30		CEEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-]	ZINC000088472269	363898406	/nfs/dbraw/zinc/89/84/06/363898406.db2.gz	IYXNRDMMAWHTNG-SNVBAGLBSA-N	-2	3	296.348	2.046	20	30		CEEDHL
N#Cc1cc(-c2ccc(OCC(=O)[O-])c(C=O)c2)ccc1[O-]	ZINC000874969608	649877229	/nfs/dbraw/zinc/87/72/29/649877229.db2.gz	QBMBFUPWIUQYOY-UHFFFAOYSA-N	-2	3	297.266	2.207	20	30		CEEDHL
C=C[C@]1(C)CC[C@H](C(C)(C)OCCP(=O)([O-])[O-])O1	ZINC001224605474	806863776	/nfs/dbraw/zinc/86/37/76/806863776.db2.gz	JKPJFVALMIKSAP-ZYHUDNBSSA-N	-2	3	278.285	2.083	20	30		CEEDHL
N#Cc1ccc([O-])c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC001176241937	816373564	/nfs/dbraw/zinc/37/35/64/816373564.db2.gz	FVLAKZNKQRVHAP-UHFFFAOYSA-N	-3	3	298.254	2.404	20	30		CEEDHL
COc1cccc([O-])c1/C=N/C[C@H](NC(=O)[O-])C(C)C	ZINC000739952319	574433476	/nfs/dbraw/zinc/43/34/76/574433476.db2.gz	LWZGVYYBVUEWCF-BXRZMRDGSA-N	-2	3	280.324	2.112	20	30		CEEDHL
C[C@H](C/N=C/c1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000736585520	574792898	/nfs/dbraw/zinc/79/28/98/574792898.db2.gz	KFFMWXWAGUETOJ-NRLRWNIESA-N	-2	3	286.125	2.294	20	30		CEEDHL
O=C([O-])NC[C@@H]1CCC[C@@H]1/N=C\c1ccccc1[O-]	ZINC000740619078	574961633	/nfs/dbraw/zinc/96/16/33/574961633.db2.gz	ARUACRQDCMFDNR-QCVCZCSCSA-N	-2	3	262.309	2.247	20	30		CEEDHL
O=C([O-])NC[C@@H]1CCC[C@H]1/N=C\c1ccccc1[O-]	ZINC000740619075	574961763	/nfs/dbraw/zinc/96/17/63/574961763.db2.gz	ARUACRQDCMFDNR-CVXJNZHGSA-N	-2	3	262.309	2.247	20	30		CEEDHL
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Cl)ccc1[O-]	ZINC000916283994	640747764	/nfs/dbraw/zinc/74/77/64/640747764.db2.gz	GEIHGQSHZKAKHK-UHFFFAOYSA-N	-2	3	293.714	2.081	20	30		CEEDHL
N#Cc1cc([O-])cc(C(=O)Nc2nc(Cl)ccc2[O-])c1	ZINC000790048369	648373518	/nfs/dbraw/zinc/37/35/18/648373518.db2.gz	TZDMUUXNQLHQSC-UHFFFAOYSA-N	-2	3	289.678	2.270	20	30		CEEDHL