smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(=O)[n-]1	ZINC000217193939	241242575	/nfs/dbraw/zinc/24/25/75/241242575.db2.gz	KZWICIJDZKTHNG-AWEZNQCLSA-N	-2	3	343.383	1.515	50	0		EDAAHL
CCOc1ccccc1[C@H]1CC(c2c(=O)[n-]c(=S)n(C)c2[O-])=NN1	ZINC000101763438	204020848	/nfs/dbraw/zinc/02/08/48/204020848.db2.gz	JAGTURZFNXZJMU-SNVBAGLBSA-N	-2	3	346.412	1.986	50	0		EDAAHL
O=C1NC[C@H](c2ccc(Cl)cc2)Cc2[n-]c(-c3nn[n-]n3)nc21	ZINC000101795654	441162077	/nfs/dbraw/zinc/16/20/77/441162077.db2.gz	QTXRQQQYYJSXHX-MRVPVSSYSA-N	-2	3	329.751	1.313	50	0		EDAAHL
O=C1NC[C@H](c2ccc(Cl)cc2)Cc2nc(-c3nn[n-]n3)[n-]c21	ZINC000101795654	441162079	/nfs/dbraw/zinc/16/20/79/441162079.db2.gz	QTXRQQQYYJSXHX-MRVPVSSYSA-N	-2	3	329.751	1.313	50	0		EDAAHL
CCC[C@@](C)([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)C(=O)[O-]	ZINC000097757757	219054657	/nfs/dbraw/zinc/05/46/57/219054657.db2.gz	KVTQIWJUPZEFFU-CQSZACIVSA-N	-2	3	349.380	1.765	50	0		EDAAHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(Cl)s2)s1	ZINC000048818843	138127713	/nfs/dbraw/zinc/12/77/13/138127713.db2.gz	QHLTUTAFGGFNDE-UHFFFAOYSA-N	-2	3	338.823	1.877	50	0		EDAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(C)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036367199	302920638	/nfs/dbraw/zinc/92/06/38/302920638.db2.gz	MTRZWZRJPXACCF-HNNXBMFYSA-N	-2	3	331.372	1.250	50	0		EDAAHL
CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cn[nH]c3)c2)n1	ZINC000057118629	441787857	/nfs/dbraw/zinc/78/78/57/441787857.db2.gz	LYQCIWFADCFCNE-UHFFFAOYSA-N	-2	3	345.384	1.523	50	0		EDAAHL
O=C(CSc1nc([O-])cc(=O)[n-]1)Nc1nc2ccccc2s1	ZINC000008913876	441101644	/nfs/dbraw/zinc/10/16/44/441101644.db2.gz	DJLHYHMKRCAGJD-UHFFFAOYSA-N	-2	3	334.382	1.816	50	0		EDAAHL
Cc1c(CC(=O)N2CCC(O)CC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000009134437	441103053	/nfs/dbraw/zinc/10/30/53/441103053.db2.gz	HUDWRMBNJAFMRB-UHFFFAOYSA-N	-2	3	333.340	1.038	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000101000816	219113466	/nfs/dbraw/zinc/11/34/66/219113466.db2.gz	DNUGGEMJARCRKS-YPMHNXCESA-N	-2	3	344.327	1.078	50	0		EDAAHL
CC[C@@H](C)c1c([O-])nc(SCC(=O)NCc2ccco2)[n-]c1=O	ZINC000005129500	539678666	/nfs/dbraw/zinc/67/86/66/539678666.db2.gz	VDSAPOCDFOHGSA-SECBINFHSA-N	-2	3	337.401	1.991	50	0		EDAAHL
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3ccccc3c2[O-])C1=O	ZINC000170615757	442236796	/nfs/dbraw/zinc/23/67/96/442236796.db2.gz	VDAOYKORXXCGRY-QGZVFWFLSA-N	-2	3	327.340	1.911	50	0		EDAAHL
COc1cc([C@@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=NN2)ccc1O	ZINC000101763385	204021305	/nfs/dbraw/zinc/02/13/05/204021305.db2.gz	ZPIVHGNIDOYHJR-QMMMGPOBSA-N	-2	3	348.384	1.301	50	0		EDAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc12	ZINC000004060814	440910391	/nfs/dbraw/zinc/91/03/91/440910391.db2.gz	QXXBZHVEJDLPFM-ZDUSSCGKSA-N	-2	3	345.351	1.734	50	0		EDAAHL
CC1=C[C@@H](c2ccccc2)N2N=C([N-]C(=O)CCC(=O)[O-])NC2=N1	ZINC000006782736	441013573	/nfs/dbraw/zinc/01/35/73/441013573.db2.gz	DDRZOYPCABIDOL-LBPRGKRZSA-N	-2	3	327.344	1.158	50	0		EDAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1C(=O)[O-]	ZINC000078789776	441972146	/nfs/dbraw/zinc/97/21/46/441972146.db2.gz	NYEIVPGLKAMEJZ-UHFFFAOYSA-N	-2	3	346.364	1.989	50	0		EDAAHL
CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c([O-])c1	ZINC000577751539	321680031	/nfs/dbraw/zinc/68/00/31/321680031.db2.gz	JQGLOBBMMXFLSF-CQSZACIVSA-N	-2	3	343.401	1.736	50	0		EDAAHL
CCOc1ccc([C@@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=NN2)cc1	ZINC000101494918	204008665	/nfs/dbraw/zinc/00/86/65/204008665.db2.gz	QVYOQGPBGHRXDX-NSHDSACASA-N	-2	3	346.412	1.986	50	0		EDAAHL
Cc1ncc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c(=O)[n-]1	ZINC000095382187	441916542	/nfs/dbraw/zinc/91/65/42/441916542.db2.gz	CUJVIKKKMJPRJB-AWEZNQCLSA-N	-2	3	341.367	1.796	50	0		EDAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(C)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036367201	302932484	/nfs/dbraw/zinc/93/24/84/302932484.db2.gz	MTRZWZRJPXACCF-OAHLLOKOSA-N	-2	3	331.372	1.250	50	0		EDAAHL
CCCCc1c([O-])nc(SCC(=O)NCc2ccco2)[n-]c1=O	ZINC000005129454	440937186	/nfs/dbraw/zinc/93/71/86/440937186.db2.gz	QOLPKMYFVBPWHG-UHFFFAOYSA-N	-2	3	337.401	1.820	50	0		EDAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100165672	219093185	/nfs/dbraw/zinc/09/31/85/219093185.db2.gz	MINMHOUNGOUDNR-LSDHHAIUSA-N	-2	3	349.346	1.247	50	0		EDAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000005000169	210355425	/nfs/dbraw/zinc/35/54/25/210355425.db2.gz	NTDNLGKGQPBUMP-UHFFFAOYSA-N	-2	3	336.369	1.691	50	0		EDAAHL
CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC000013820151	441167052	/nfs/dbraw/zinc/16/70/52/441167052.db2.gz	ODAIHABQVKJNIY-QMVSFRDZSA-N	-2	3	340.420	1.462	50	0		EDAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1	ZINC000048231890	441275761	/nfs/dbraw/zinc/27/57/61/441275761.db2.gz	BLRNZAOIQNUDOA-UHFFFAOYSA-N	-2	3	341.410	1.905	50	0		EDAAHL
CCOc1cc(/C=C2/NC(=S)[N-]C2=O)cc(Br)c1[O-]	ZINC000100602019	219102445	/nfs/dbraw/zinc/10/24/45/219102445.db2.gz	OXQDKGLSDBLOMG-XBXARRHUSA-N	-2	3	343.202	1.899	50	0		EDAAHL
CCc1nc(C)c(CC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c(=O)[n-]1	ZINC000217535770	241257404	/nfs/dbraw/zinc/25/74/04/241257404.db2.gz	TZLVYOFEHZSEEQ-QGZVFWFLSA-N	-2	3	335.404	1.287	50	0		EDAAHL
CCN1CCN([C@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036360879	285334698	/nfs/dbraw/zinc/33/46/98/285334698.db2.gz	ZAPKFSBDHAKWBK-INIZCTEOSA-N	-2	3	345.399	1.640	50	0		EDAAHL
Cc1nc([O-])c(C(c2ccccc2)C2C(=O)N=C(C)NC2=O)c(=O)[n-]1	ZINC000016363276	441219847	/nfs/dbraw/zinc/21/98/47/441219847.db2.gz	RUYUVTQFPVHRMT-UHFFFAOYSA-N	-2	3	340.339	1.061	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000101021485	219114815	/nfs/dbraw/zinc/11/48/15/219114815.db2.gz	KLEYYSKCIOEDSL-YPMHNXCESA-N	-2	3	344.327	1.078	50	0		EDAAHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)n[n-]1	ZINC000021096325	212205874	/nfs/dbraw/zinc/20/58/74/212205874.db2.gz	ZNLNGJYPOYZHNC-UHFFFAOYSA-N	-2	3	325.346	1.396	50	0		EDAAHL
O=C([O-])CCn1cc(CN2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)cn1	ZINC000092028513	218105299	/nfs/dbraw/zinc/10/52/99/218105299.db2.gz	ISEQEALYWMPMEQ-LSDHHAIUSA-N	-2	3	344.371	1.053	50	0		EDAAHL
CC(C)Cc1c([O-])nc(SCC(=O)N2CCCCC2)[n-]c1=O	ZINC000005129471	210397007	/nfs/dbraw/zinc/39/70/07/210397007.db2.gz	JCOGBVNDTWVGHO-UHFFFAOYSA-N	-2	3	325.434	1.779	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000005053730	210376164	/nfs/dbraw/zinc/37/61/64/210376164.db2.gz	DNUGGEMJARCRKS-WCQYABFASA-N	-2	3	344.327	1.078	50	0		EDAAHL
CCOc1cc(/C=C2\NC(=S)[N-]C2=O)cc(Br)c1[O-]	ZINC000000182800	485955693	/nfs/dbraw/zinc/95/56/93/485955693.db2.gz	OXQDKGLSDBLOMG-YWEYNIOJSA-N	-2	3	343.202	1.899	50	0		EDAAHL
Cc1cccc(F)c1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	ZINC000274963725	268251752	/nfs/dbraw/zinc/25/17/52/268251752.db2.gz	JNYPBJUKFYPSJU-UHFFFAOYSA-N	-2	3	331.365	1.294	50	0		EDAAHL
CCOCCc1c([O-])nc(SCC(=O)N(CC)CC)[n-]c1=O	ZINC000013957316	211661307	/nfs/dbraw/zinc/66/13/07/211661307.db2.gz	DRIUPJRGRQDWCR-UHFFFAOYSA-N	-2	3	329.422	1.015	50	0		EDAAHL
Cc1cc(Br)c(S(=O)(=O)[N-]CCC(=O)[O-])s1	ZINC000261576054	139209130	/nfs/dbraw/zinc/20/91/30/139209130.db2.gz	KBSMYTKRHKXUEE-UHFFFAOYSA-N	-2	3	328.209	1.572	50	0		EDAAHL
CCCCc1c([O-])nc(SCC(=O)NC[C@H]2CCCO2)[n-]c1=O	ZINC000008582810	441096410	/nfs/dbraw/zinc/09/64/10/441096410.db2.gz	JGAQJTHBEHSTRO-SNVBAGLBSA-N	-2	3	341.433	1.205	50	0		EDAAHL
O=C([O-])C[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)C(=O)[O-]	ZINC000299761096	258077811	/nfs/dbraw/zinc/07/78/11/258077811.db2.gz	REZULNANPIOLBL-HNNXBMFYSA-N	-2	3	348.399	1.333	50	0		EDAAHL
O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2[N-]S(=O)(=O)C2CC2)cc1	ZINC000223456129	443090013	/nfs/dbraw/zinc/09/00/13/443090013.db2.gz	KMOQTKVDIVCAGO-ZIAGYGMSSA-N	-2	3	341.385	1.003	50	0		EDAAHL
O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F	ZINC000103059371	219251503	/nfs/dbraw/zinc/25/15/03/219251503.db2.gz	AWNYMUDGRVINGM-UHFFFAOYSA-N	-2	3	337.311	1.946	50	0		EDAAHL
O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F	ZINC000103059371	219251506	/nfs/dbraw/zinc/25/15/06/219251506.db2.gz	AWNYMUDGRVINGM-UHFFFAOYSA-N	-2	3	337.311	1.946	50	0		EDAAHL
CCCC[C@H](Sc1[n-]c(=O)nc(C)c1C(=O)OCC)C(=O)[O-]	ZINC000005251658	282976259	/nfs/dbraw/zinc/97/62/59/282976259.db2.gz	QMGIFDMMARWGIX-VIFPVBQESA-N	-2	3	328.390	1.991	50	0		EDAAHL
CCN1CCN([C@@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036360880	213090766	/nfs/dbraw/zinc/09/07/66/213090766.db2.gz	ZAPKFSBDHAKWBK-MRXNPFEDSA-N	-2	3	345.399	1.640	50	0		EDAAHL
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ccccc1C(=O)[O-])CC2	ZINC000095371429	218304278	/nfs/dbraw/zinc/30/42/78/218304278.db2.gz	KKVIBLRYDMVBKJ-AWEZNQCLSA-N	-2	3	346.383	1.282	50	0		EDAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c1	ZINC000057118478	441788008	/nfs/dbraw/zinc/78/80/08/441788008.db2.gz	DNRQSNWRTWRMIK-UHFFFAOYSA-N	-2	3	331.357	1.477	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000101000815	219113376	/nfs/dbraw/zinc/11/33/76/219113376.db2.gz	DNUGGEMJARCRKS-DGCLKSJQSA-N	-2	3	344.327	1.078	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(CC)cc3)c(=O)c1-2	ZINC000101005180	219113510	/nfs/dbraw/zinc/11/35/10/219113510.db2.gz	QGYZDBKPWFYVGA-YPMHNXCESA-N	-2	3	344.327	1.023	50	0		EDAAHL
CCc1nc(C)c(CC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)c(=O)[n-]1	ZINC000217535866	241257034	/nfs/dbraw/zinc/25/70/34/241257034.db2.gz	TZLVYOFEHZSEEQ-KRWDZBQOSA-N	-2	3	335.404	1.287	50	0		EDAAHL
O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccs1	ZINC000001432307	440846912	/nfs/dbraw/zinc/84/69/12/440846912.db2.gz	FBGKILFFMQHQCM-NSHDSACASA-N	-2	3	329.374	1.861	50	0		EDAAHL
CCc1nc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)cn1CC1CC1	ZINC000663286204	453755111	/nfs/dbraw/zinc/75/51/11/453755111.db2.gz	PKGQHPJHOFIRPS-RYUDHWBXSA-N	-2	3	339.417	1.163	50	0		EDAAHL
CSCCc1nc(-c2cc(=O)c3ccccc3[n-]2)n(CC(=O)[O-])n1	ZINC000097347533	219014016	/nfs/dbraw/zinc/01/40/16/219014016.db2.gz	PKTQVXBNWNKZDE-UHFFFAOYSA-N	-2	3	344.396	1.777	50	0		EDAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1C	ZINC000074803996	258014746	/nfs/dbraw/zinc/01/47/46/258014746.db2.gz	FZSFSOFDOQBUQL-UHFFFAOYSA-N	-2	3	345.384	1.985	50	0		EDAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1C	ZINC000074803996	258014748	/nfs/dbraw/zinc/01/47/48/258014748.db2.gz	FZSFSOFDOQBUQL-UHFFFAOYSA-N	-2	3	345.384	1.985	50	0		EDAAHL
CCOc1cc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc(Cl)c1[O-]	ZINC000101675716	219154891	/nfs/dbraw/zinc/15/48/91/219154891.db2.gz	MRVCVRKBPPTOEN-VIFPVBQESA-N	-2	3	337.723	1.414	50	0		EDAAHL
CN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036354396	213087797	/nfs/dbraw/zinc/08/77/97/213087797.db2.gz	LRAKTYUMEXGUKW-INIZCTEOSA-N	-2	3	349.362	1.238	50	0		EDAAHL
COc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c([O-])c1	ZINC000022184763	212280366	/nfs/dbraw/zinc/28/03/66/212280366.db2.gz	YZZDTNVMUWRNKF-UHFFFAOYSA-N	-2	3	345.380	1.971	50	0		EDAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000000127993	440800782	/nfs/dbraw/zinc/80/07/82/440800782.db2.gz	VUULETIZQLXZDJ-UHFFFAOYSA-N	-3	3	337.309	1.589	50	0		EDAAHL
COC(=O)c1scnc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1	ZINC000225690074	443118348	/nfs/dbraw/zinc/11/83/48/443118348.db2.gz	SGUMHOAEOGPXKF-SNAWJCMRSA-N	-2	3	349.368	1.509	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(CC)cc3)c(=O)c1-2	ZINC000101005183	219113650	/nfs/dbraw/zinc/11/36/50/219113650.db2.gz	QGYZDBKPWFYVGA-WCQYABFASA-N	-2	3	344.327	1.023	50	0		EDAAHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)n[n-]1	ZINC000021096398	212205980	/nfs/dbraw/zinc/20/59/80/212205980.db2.gz	RGEPXCICIZGFRP-UHFFFAOYSA-N	-2	3	338.389	1.453	50	0		EDAAHL
CC1=C[C@H](c2ccccc2)N2N=C([N-]C(=O)CCC(=O)[O-])NC2=N1	ZINC000006782720	281696772	/nfs/dbraw/zinc/69/67/72/281696772.db2.gz	DDRZOYPCABIDOL-GFCCVEGCSA-N	-2	3	327.344	1.158	50	0		EDAAHL
CCC[C@](C)(NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000089949441	441603236	/nfs/dbraw/zinc/60/32/36/441603236.db2.gz	XSQWIDRRLSVITA-IRXDYDNUSA-N	-2	3	347.371	1.114	50	0		EDAAHL
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-]	ZINC000263204945	443227138	/nfs/dbraw/zinc/22/71/38/443227138.db2.gz	XZUKPVSWXKSPBX-SNVBAGLBSA-N	-2	3	341.307	1.815	50	0		EDAAHL
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccccc1C(=O)[O-])CC2	ZINC000095371428	218304569	/nfs/dbraw/zinc/30/45/69/218304569.db2.gz	KKVIBLRYDMVBKJ-CQSZACIVSA-N	-2	3	346.383	1.282	50	0		EDAAHL
O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000002659872	440870689	/nfs/dbraw/zinc/87/06/89/440870689.db2.gz	RXRYXPWRZKMBFO-CYBMUJFWSA-N	-2	3	341.335	1.939	50	0		EDAAHL
COC(=O)c1nc(=S)[n-]c(C(=O)OC)c1C(=O)c1ccc([O-])cc1	ZINC000006169657	440982952	/nfs/dbraw/zinc/98/29/52/440982952.db2.gz	ZTGKKYWTIFGPDC-UHFFFAOYSA-N	-2	3	348.336	1.275	50	0		EDAAHL
CC(C)c1nc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)cn1C	ZINC000571164406	448116123	/nfs/dbraw/zinc/11/61/23/448116123.db2.gz	VHUVMNNLOAVQOQ-UHFFFAOYSA-N	-2	3	337.401	1.720	50	0		EDAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12	ZINC000004062030	210110878	/nfs/dbraw/zinc/11/08/78/210110878.db2.gz	WHXLFNDHQHGOGO-JTQLQIEISA-N	-2	3	333.340	1.637	50	0		EDAAHL
O=C([O-])Cn1nccc1[C@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1	ZINC000426401881	447435808	/nfs/dbraw/zinc/43/58/08/447435808.db2.gz	NVBBWPJXRVTESA-LBPRGKRZSA-N	-2	3	344.371	1.441	50	0		EDAAHL
COc1cc(F)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1OC	ZINC000069769648	442033626	/nfs/dbraw/zinc/03/36/26/442033626.db2.gz	FGENNWLCJQYAHK-UHFFFAOYSA-N	-2	3	344.320	1.670	50	0		EDAAHL
COC(=O)c1ccc(CS(=O)(=O)[N-]c2n[n-]c(C(F)F)n2)cc1	ZINC000585141626	448711095	/nfs/dbraw/zinc/71/10/95/448711095.db2.gz	WFBONESUPPFXDP-UHFFFAOYSA-N	-2	3	346.315	1.471	50	0		EDAAHL
O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1	ZINC000013305448	211543293	/nfs/dbraw/zinc/54/32/93/211543293.db2.gz	CQNURGIUZYASML-UHFFFAOYSA-N	-2	3	341.366	1.654	50	0		EDAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@H](C)C(=O)[O-])c(=O)oc12	ZINC000011865400	211260783	/nfs/dbraw/zinc/26/07/83/211260783.db2.gz	WHXLFNDHQHGOGO-SNVBAGLBSA-N	-2	3	333.340	1.637	50	0		EDAAHL
O=C1[N-]C(=O)/C(=C/c2ccc([O-])c(I)c2)N1	ZINC000100253388	441151529	/nfs/dbraw/zinc/15/15/29/441151529.db2.gz	RZFDYLLHWYUKRN-DAXSKMNVSA-N	-2	3	330.081	1.177	50	0		EDAAHL
CC[C@H](Sc1ccccc1)C(=O)NCCc1nc([O-])c(C)c(=O)[n-]1	ZINC000101825083	441162364	/nfs/dbraw/zinc/16/23/64/441162364.db2.gz	FTKIBFYKKHYOOK-ZDUSSCGKSA-N	-2	3	347.440	1.755	50	0		EDAAHL
O=c1[n-]c(-c2nc3c([n-]2)C(=O)NC[C@@H](c2ccc(Cl)cc2)C3)n[nH]1	ZINC000067725997	215196728	/nfs/dbraw/zinc/19/67/28/215196728.db2.gz	AJXDWQAKYFGIPK-QMMMGPOBSA-N	-2	3	344.762	1.211	50	0		EDAAHL
CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c([O-])c1	ZINC000585141476	448709922	/nfs/dbraw/zinc/70/99/22/448709922.db2.gz	WMZYQGQPPUZUBG-AWEZNQCLSA-N	-2	3	345.417	1.982	50	0		EDAAHL
CC1(C)[C@H](C(=O)Nc2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H]1C(=O)[O-]	ZINC000071284933	441143919	/nfs/dbraw/zinc/14/39/19/441143919.db2.gz	NFCBHLSAHGNODJ-WDEREUQCSA-N	-2	3	344.364	1.493	50	0		EDAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2	ZINC000100628301	219102550	/nfs/dbraw/zinc/10/25/50/219102550.db2.gz	IZVURBLVFVBIRA-MNOVXSKESA-N	-2	3	335.747	1.029	50	0		EDAAHL
CCc1nc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(=O)[n-]1	ZINC000217193945	241242655	/nfs/dbraw/zinc/24/26/55/241242655.db2.gz	KZWICIJDZKTHNG-CQSZACIVSA-N	-2	3	343.383	1.515	50	0		EDAAHL
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1[O-]	ZINC000005018755	210363958	/nfs/dbraw/zinc/36/39/58/210363958.db2.gz	OIKFIRMQTFBREA-FPYGCLRLSA-N	-2	3	326.692	1.032	50	0		EDAAHL
CCCCCCc1c(C)nc(-n2[n-]c(C)c(CCO)c2=O)[n-]c1=O	ZINC000018159319	441248710	/nfs/dbraw/zinc/24/87/10/441248710.db2.gz	JOQQJWIDHTUMPI-UHFFFAOYSA-N	-2	3	334.420	1.936	50	0		EDAAHL
CCN1CCN([C@H](C(=O)[O-])c2cn(C)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036354970	285334607	/nfs/dbraw/zinc/33/46/07/285334607.db2.gz	ACWKGKUWFBOLOU-INIZCTEOSA-N	-2	3	345.399	1.640	50	0		EDAAHL
Cc1c(CC(=O)NC[C@@H]2CCCO2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000005350605	440951105	/nfs/dbraw/zinc/95/11/05/440951105.db2.gz	MIUQJYJMHSBYSV-NSHDSACASA-N	-2	3	333.340	1.350	50	0		EDAAHL
O=S(=O)([O-])c1cc([O-])c2c(Cl)cc(S(=O)(=O)[O-])cc2c1	ZINC000001848555	539421982	/nfs/dbraw/zinc/42/19/82/539421982.db2.gz	PGAVDCUYQQGYAK-UHFFFAOYSA-N	-3	3	338.746	1.692	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000005076575	210385014	/nfs/dbraw/zinc/38/50/14/210385014.db2.gz	KLEYYSKCIOEDSL-WCQYABFASA-N	-2	3	344.327	1.078	50	0		EDAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(C)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036353624	441607792	/nfs/dbraw/zinc/60/77/92/441607792.db2.gz	UQYGWVZOCKLYFG-HNNXBMFYSA-N	-2	3	331.372	1.250	50	0		EDAAHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)C(C)C)c1Cl	ZINC000084086115	491185458	/nfs/dbraw/zinc/18/54/58/491185458.db2.gz	FQWYVFDDAISPHJ-UHFFFAOYSA-N	-3	3	334.781	1.312	50	0		EDAAHL
CCC[C@](C)([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)C(=O)[O-]	ZINC000097757756	219054929	/nfs/dbraw/zinc/05/49/29/219054929.db2.gz	KVTQIWJUPZEFFU-AWEZNQCLSA-N	-2	3	349.380	1.765	50	0		EDAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(C)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036353626	441607312	/nfs/dbraw/zinc/60/73/12/441607312.db2.gz	UQYGWVZOCKLYFG-OAHLLOKOSA-N	-2	3	331.372	1.250	50	0		EDAAHL
CCc1nc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)cn1CC1CC1	ZINC000663286203	453754946	/nfs/dbraw/zinc/75/49/46/453754946.db2.gz	PKGQHPJHOFIRPS-NWDGAFQWSA-N	-2	3	339.417	1.163	50	0		EDAAHL
COCC[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000021791305	212250808	/nfs/dbraw/zinc/25/08/08/212250808.db2.gz	STKGVHURXXSTBO-UHFFFAOYSA-N	-2	3	328.173	1.616	50	0		EDAAHL
O=C([O-])c1ccccc1C(=O)Nc1ccc2c(=O)[nH][n-]c(=O)c2c1	ZINC000020096313	212100550	/nfs/dbraw/zinc/10/05/50/212100550.db2.gz	HVYYPFSLXAWIBU-UHFFFAOYSA-N	-2	3	325.280	1.579	50	0		EDAAHL
O=C([O-])c1ccccc1C(=O)Nc1ccc2c(=O)[n-][nH]c(=O)c2c1	ZINC000020096313	212100553	/nfs/dbraw/zinc/10/05/53/212100553.db2.gz	HVYYPFSLXAWIBU-UHFFFAOYSA-N	-2	3	325.280	1.579	50	0		EDAAHL
COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1[O-]	ZINC000000070057	209399473	/nfs/dbraw/zinc/39/94/73/209399473.db2.gz	RUKNBZPNGQHSJO-XCBNKYQSSA-N	-2	3	334.191	1.952	50	0		EDAAHL
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1cccc(C(=O)[O-])c1)CC2	ZINC000095391362	218323067	/nfs/dbraw/zinc/32/30/67/218323067.db2.gz	CIHWLTCJSWAWSG-AWEZNQCLSA-N	-2	3	346.383	1.282	50	0		EDAAHL
C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000263488305	139344812	/nfs/dbraw/zinc/34/48/12/139344812.db2.gz	VZSULUDHUJRTBD-CQSZACIVSA-N	-2	3	344.364	1.277	50	0		EDAAHL
CC[C@@H](Sc1ccccc1)C(=O)NCCc1nc([O-])c(C)c(=O)[n-]1	ZINC000101825087	441162494	/nfs/dbraw/zinc/16/24/94/441162494.db2.gz	FTKIBFYKKHYOOK-CYBMUJFWSA-N	-2	3	347.440	1.755	50	0		EDAAHL
[NH3+][C@@H](Cc1cccc(-c2ccccc2CP(=O)([O-])[O-])c1)C(=O)[O-]	ZINC000029747235	540095207	/nfs/dbraw/zinc/09/52/07/540095207.db2.gz	NCEGJIHRQBRVJQ-HNNXBMFYSA-N	-2	3	335.296	1.986	50	0	in-vitro	EDAAHL
O=C([O-])[C@@H](CCCCCP(=O)([O-])[O-])NC(=O)Cc1ccccc1	ZINC000004029387	440908852	/nfs/dbraw/zinc/90/88/52/440908852.db2.gz	FDQHCBNEKYIVHI-CYBMUJFWSA-N	-3	3	343.316	1.537	50	0		EDAAHL
CC(C)(C)c1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[n-]c(=O)n1	ZINC000092037923	441763914	/nfs/dbraw/zinc/76/39/14/441763914.db2.gz	VVDHZCNIOKLZHW-WDEREUQCSA-N	-2	3	333.388	1.250	50	0		EDAAHL
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000262916196	535060417	/nfs/dbraw/zinc/06/04/17/535060417.db2.gz	ICWYRUXGPGNQRJ-ZDUSSCGKSA-N	-2	3	342.417	1.216	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000101021482	219114418	/nfs/dbraw/zinc/11/44/18/219114418.db2.gz	KLEYYSKCIOEDSL-DGCLKSJQSA-N	-2	3	344.327	1.078	50	0		EDAAHL
CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1F	ZINC000262861166	139308707	/nfs/dbraw/zinc/30/87/07/139308707.db2.gz	IRTYKOXTRJEIOE-GXSJLCMTSA-N	-2	3	344.364	1.180	50	0		EDAAHL
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1	ZINC000004832214	304250417	/nfs/dbraw/zinc/25/04/17/304250417.db2.gz	AYBFACAANIONIE-UHFFFAOYSA-N	-2	3	331.305	1.101	50	0		EDAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2	ZINC000100628296	441152529	/nfs/dbraw/zinc/15/25/29/441152529.db2.gz	IZVURBLVFVBIRA-WDEREUQCSA-N	-2	3	335.747	1.029	50	0		EDAAHL
CCc1nn2c([n-]1)nc(C)c([N-]S(=O)(=O)c1cccs1)c2=O	ZINC000015942095	441213324	/nfs/dbraw/zinc/21/33/24/441213324.db2.gz	HOCNYQPWSLJVCY-UHFFFAOYSA-N	-2	3	339.402	1.563	50	0		EDAAHL
Cn1c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)[n-]c1=S	ZINC000020758169	294137338	/nfs/dbraw/zinc/13/73/38/294137338.db2.gz	AUTISJFJHICKSH-ZDUSSCGKSA-N	-2	3	328.397	1.865	50	0		EDAAHL
O=C(CSc1nc([O-])cc(=O)[n-]1)Nc1ccc(F)c(Cl)c1	ZINC000017067607	441236075	/nfs/dbraw/zinc/23/60/75/441236075.db2.gz	AWKAYNKKVFFOBD-UHFFFAOYSA-N	-2	3	329.740	1.999	50	0		EDAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(C)c1	ZINC000074803997	258014952	/nfs/dbraw/zinc/01/49/52/258014952.db2.gz	JCZRAUNBJTYNSB-UHFFFAOYSA-N	-2	3	345.384	1.985	50	0		EDAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(C)c1	ZINC000074803997	258014953	/nfs/dbraw/zinc/01/49/53/258014953.db2.gz	JCZRAUNBJTYNSB-UHFFFAOYSA-N	-2	3	345.384	1.985	50	0		EDAAHL
C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)s2)o1	ZINC000030568967	202197634	/nfs/dbraw/zinc/19/76/34/202197634.db2.gz	OBQKGSGBEFLXKU-UHFFFAOYSA-N	-2	3	328.375	1.169	50	0		EDAAHL
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=S)[n-]c1=O	ZINC000017112411	441236981	/nfs/dbraw/zinc/23/69/81/441236981.db2.gz	IYVXZRPLJKPHGK-VIFPVBQESA-N	-2	3	336.325	1.827	50	0		EDAAHL
Cc1c(CC(=O)NCCCOC(C)C)c(=O)oc2cc([O-])cc([O-])c12	ZINC000005346023	440948821	/nfs/dbraw/zinc/94/88/21/440948821.db2.gz	PMSVCFRWLRROOM-UHFFFAOYSA-N	-2	3	349.383	1.986	50	0		EDAAHL
CCc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)[n-]c(=O)c1C	ZINC000013407900	441158886	/nfs/dbraw/zinc/15/88/86/441158886.db2.gz	JEIRBJZRUSKWLH-UHFFFAOYSA-N	-2	3	336.373	1.563	50	0		EDAAHL
CCc1nc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)cn1CC1CC1	ZINC000663286201	453754983	/nfs/dbraw/zinc/75/49/83/453754983.db2.gz	PKGQHPJHOFIRPS-NEPJUHHUSA-N	-2	3	339.417	1.163	50	0		EDAAHL
CC(=O)N[C@H](Cc1ccc([O-])c(I)c1)C(=O)[O-]	ZINC000002015203	440854827	/nfs/dbraw/zinc/85/48/27/440854827.db2.gz	IVMIEKMLDYZRFB-SECBINFHSA-N	-2	3	349.124	1.129	50	0	in-vitro	EDAAHL
CC[C@H](C)[C@@H](CO)NC(=O)Cc1c(C)c2c([O-])cc([O-])cc2oc1=O	ZINC000008764955	441100811	/nfs/dbraw/zinc/10/08/11/441100811.db2.gz	GPZFINXECJSGBL-TVQRCGJNSA-N	-2	3	349.383	1.578	50	0		EDAAHL
O=C([O-])c1csc(S(=O)(=O)[N-]CCOc2ccccc2F)c1	ZINC000013307993	441157211	/nfs/dbraw/zinc/15/72/11/441157211.db2.gz	BVMKATXICZUSSX-UHFFFAOYSA-N	-2	3	345.373	1.943	50	0		EDAAHL
CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nnn[n-]2)c1C	ZINC000585136808	448707942	/nfs/dbraw/zinc/70/79/42/448707942.db2.gz	TWUHYBPSOSDOCR-UHFFFAOYSA-N	-2	3	347.404	1.501	50	0		EDAAHL
CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1C	ZINC000585136808	448707945	/nfs/dbraw/zinc/70/79/45/448707945.db2.gz	TWUHYBPSOSDOCR-UHFFFAOYSA-N	-2	3	347.404	1.501	50	0		EDAAHL
COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1[O-]	ZINC000000070059	440795239	/nfs/dbraw/zinc/79/52/39/440795239.db2.gz	RUKNBZPNGQHSJO-GMSGAONNSA-N	-2	3	334.191	1.952	50	0		EDAAHL
COc1cc(NC(=O)c2ncccc2[O-])ccc1[N-]S(C)(=O)=O	ZINC000058228937	441163223	/nfs/dbraw/zinc/16/32/23/441163223.db2.gz	BUPXXPFSHBDBPV-UHFFFAOYSA-N	-2	3	337.357	1.420	50	0		EDAAHL
O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)c1	ZINC000095366421	441913825	/nfs/dbraw/zinc/91/38/25/441913825.db2.gz	UKDOWTYJDKJXNL-LBPRGKRZSA-N	-2	3	343.339	1.194	50	0		EDAAHL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2ccnn2C)c1	ZINC000184927545	443100204	/nfs/dbraw/zinc/10/02/04/443100204.db2.gz	FWZCRNOCKNCLFQ-UHFFFAOYSA-N	-2	3	327.337	1.044	50	0		EDAAHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CCOc2ccccc2)c1	ZINC000004615069	210232538	/nfs/dbraw/zinc/23/25/38/210232538.db2.gz	ONPYMUGTEVYAQO-UHFFFAOYSA-N	-2	3	339.344	1.881	50	0		EDAAHL
CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC000248255651	243553783	/nfs/dbraw/zinc/55/37/83/243553783.db2.gz	ODAIHABQVKJNIY-DGTMBMJNSA-N	-2	3	340.420	1.462	50	0		EDAAHL
CCCc1cc(=O)[n-]c(SCC(=O)[N-]C(=O)c2ccccc2)n1	ZINC000005075238	210384978	/nfs/dbraw/zinc/38/49/78/210384978.db2.gz	LVBNMOLNZKNAGW-UHFFFAOYSA-N	-2	3	331.397	1.771	50	0		EDAAHL
O=C([O-])C[N-]S(=O)(=O)c1ccc(Br)cc1Cl	ZINC000003289744	440895450	/nfs/dbraw/zinc/89/54/50/440895450.db2.gz	KLOLJDKVVISHRN-UHFFFAOYSA-N	-2	3	328.571	1.465	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(CC)cc3)c(=O)c1-2	ZINC000101005176	219113540	/nfs/dbraw/zinc/11/35/40/219113540.db2.gz	QGYZDBKPWFYVGA-AAEUAGOBSA-N	-2	3	344.327	1.023	50	0		EDAAHL
CN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036360450	213089868	/nfs/dbraw/zinc/08/98/68/213089868.db2.gz	MJFKMZUTVGVQKI-MRXNPFEDSA-N	-2	3	331.372	1.099	50	0		EDAAHL
O=C([O-])CNC(=O)CSc1nnc([N-]c2ccccc2F)s1	ZINC000008850209	211011050	/nfs/dbraw/zinc/01/10/50/211011050.db2.gz	YWLIGEFGXUTMJS-UHFFFAOYSA-N	-2	3	342.377	1.714	50	0		EDAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000101000819	219113575	/nfs/dbraw/zinc/11/35/75/219113575.db2.gz	DNUGGEMJARCRKS-AAEUAGOBSA-N	-2	3	344.327	1.078	50	0		EDAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)ccc3C)c(=O)c1-2	ZINC000004904583	210318095	/nfs/dbraw/zinc/31/80/95/210318095.db2.gz	LJIVJJIPUXDHPN-MNOVXSKESA-N	-2	3	335.747	1.029	50	0		EDAAHL
CC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1ccccc1	ZINC000101764435	278074467	/nfs/dbraw/zinc/07/44/67/278074467.db2.gz	AWRGAPHGDQJSSJ-GFCCVEGCSA-N	-2	3	344.396	1.846	50	0		EDAAHL
COc1cc2c(cc1OC)[C@@H](c1c(=O)[n-]c(=S)n(C)c1[O-])NCC2	ZINC000017044600	441234824	/nfs/dbraw/zinc/23/48/24/441234824.db2.gz	OYHJUYUMNLUKSG-ZDUSSCGKSA-N	-2	3	349.412	1.401	50	0		EDAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc4ccccc43)c(=O)c1-2	ZINC000100090891	219090834	/nfs/dbraw/zinc/09/08/34/219090834.db2.gz	RDCHQYFNINCDCX-UONOGXRCSA-N	-2	3	337.335	1.220	50	0		EDAAHL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c1	ZINC000003326471	210008070	/nfs/dbraw/zinc/00/80/70/210008070.db2.gz	ZFCCZQJFFYTXGZ-UHFFFAOYSA-N	-2	3	345.340	1.161	50	0		EDAAHL
O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)c1	ZINC000095366420	218298697	/nfs/dbraw/zinc/29/86/97/218298697.db2.gz	UKDOWTYJDKJXNL-GFCCVEGCSA-N	-2	3	343.339	1.194	50	0		EDAAHL
CC[C@H](C)c1c([O-])nc(SCC(=O)NCc2ccco2)[n-]c1=O	ZINC000005129504	210396118	/nfs/dbraw/zinc/39/61/18/210396118.db2.gz	VDSAPOCDFOHGSA-VIFPVBQESA-N	-2	3	337.401	1.991	50	0		EDAAHL
COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000013306331	441156597	/nfs/dbraw/zinc/15/65/97/441156597.db2.gz	YIDBXXIHESRCNQ-UHFFFAOYSA-N	-2	3	341.410	1.976	50	0		EDAAHL
Cc1ncc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)[n-]1	ZINC000095369769	441913787	/nfs/dbraw/zinc/91/37/87/441913787.db2.gz	NGKZFPCZXOIFHW-AWEZNQCLSA-N	-2	3	341.367	1.796	50	0		EDAAHL
O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000067139086	215116586	/nfs/dbraw/zinc/11/65/86/215116586.db2.gz	UJJYCVDQMPCBCK-UHFFFAOYSA-N	-2	3	332.703	1.635	50	0		EDAAHL
COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1[O-]	ZINC000000070063	209399890	/nfs/dbraw/zinc/39/98/90/209399890.db2.gz	RUKNBZPNGQHSJO-XVKPBYJWSA-N	-2	3	334.191	1.952	50	0		EDAAHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)n[n-]1	ZINC000021096475	212205611	/nfs/dbraw/zinc/20/56/11/212205611.db2.gz	GFOLOGIMFUXYRB-UHFFFAOYSA-N	-2	3	327.337	1.835	50	0		EDAAHL
CCc1c([O-])nc(SCC(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000010076966	211145532	/nfs/dbraw/zinc/14/55/32/211145532.db2.gz	QGCZQGARLDPPHX-UHFFFAOYSA-N	-2	3	347.396	1.971	50	0		EDAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc4ccccc43)c(=O)c1-2	ZINC000100090900	219090966	/nfs/dbraw/zinc/09/09/66/219090966.db2.gz	RDCHQYFNINCDCX-KGLIPLIRSA-N	-2	3	337.335	1.220	50	0		EDAAHL
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1	ZINC000065563527	441460148	/nfs/dbraw/zinc/46/01/48/441460148.db2.gz	JIRCWDSDCSXJTF-UHFFFAOYSA-N	-2	3	332.337	1.380	50	0		EDAAHL
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000065584827	441463531	/nfs/dbraw/zinc/46/35/31/441463531.db2.gz	TXMZIHGUFRLBQG-UHFFFAOYSA-N	-2	3	330.365	1.933	50	0		EDAAHL
COc1ccc(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)c([O-])c1	ZINC000622000444	450981496	/nfs/dbraw/zinc/98/14/96/450981496.db2.gz	MXAIDBSFDLUHTL-UHFFFAOYSA-N	-2	3	346.343	1.168	50	0		EDAAHL
CCN(c1cnn(C)c1)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-]	ZINC000655593259	452412762	/nfs/dbraw/zinc/41/27/62/452412762.db2.gz	CONXZHDKGLPCMA-UHFFFAOYSA-N	-2	3	339.373	1.348	50	0		EDAAHL
CC[C@H](NC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000004062081	210110100	/nfs/dbraw/zinc/11/01/00/210110100.db2.gz	DGTCRFIPTQTOCR-LBPRGKRZSA-N	-2	3	333.340	1.637	50	0		EDAAHL
COC(=O)[N-]C(=S)Nc1ccccc1[N-]C(=S)NC(=O)OC	ZINC000003872305	210081589	/nfs/dbraw/zinc/08/15/89/210081589.db2.gz	QGHREAKMXXNCOA-UHFFFAOYSA-N	-2	3	342.402	1.792	50	0	in-vitro	EDAAHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000000316810	440814058	/nfs/dbraw/zinc/81/40/58/440814058.db2.gz	LYHCAIGJBKKIMY-UHFFFAOYSA-N	-2	3	344.389	1.998	50	0		EDAAHL
O=c1cc(Cc2n[n-]c(=S)n2-c2ccc(Cl)cc2)[nH]c(=O)[n-]1	ZINC000005903936	440972739	/nfs/dbraw/zinc/97/27/39/440972739.db2.gz	YWZLADFDBTWENE-UHFFFAOYSA-N	-2	3	335.776	1.551	50	0		EDAAHL
CCC[C@](C)(NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000089949439	441603214	/nfs/dbraw/zinc/60/32/14/441603214.db2.gz	XSQWIDRRLSVITA-DLBZAZTESA-N	-2	3	347.371	1.114	50	0		EDAAHL
CC[C@](C)(C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C(=O)[O-]	ZINC000391265875	447512495	/nfs/dbraw/zinc/51/24/95/447512495.db2.gz	WXTLAMLUKJNGLF-CQSZACIVSA-N	-2	3	347.389	1.462	50	0		EDAAHL
Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1	ZINC000010032690	211144208	/nfs/dbraw/zinc/14/42/08/211144208.db2.gz	OWXXROYUZXDCGY-UHFFFAOYSA-N	-2	3	336.373	1.405	50	0		EDAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)NCCCC(=O)[O-])c(=O)oc12	ZINC000002157317	440856768	/nfs/dbraw/zinc/85/67/68/440856768.db2.gz	VASAPJDDSRUIFH-UHFFFAOYSA-N	-2	3	333.340	1.639	50	0		EDAAHL
Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)c3ccccc3[O-])CC2)n1	ZINC000192678928	442675805	/nfs/dbraw/zinc/67/58/05/442675805.db2.gz	NNBWOPIHTGXAEJ-ZDUSSCGKSA-N	-2	3	342.399	1.715	50	0		EDAAHL
COC(=O)c1scnc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1	ZINC000606446051	449469515	/nfs/dbraw/zinc/46/95/15/449469515.db2.gz	SGUMHOAEOGPXKF-PLNGDYQASA-N	-2	3	349.368	1.921	50	0		EDAAHL
CCCC[C@@H](Sc1[n-]c(=O)nc(C)c1C(=O)OCC)C(=O)[O-]	ZINC000005251659	282920420	/nfs/dbraw/zinc/92/04/20/282920420.db2.gz	QMGIFDMMARWGIX-SECBINFHSA-N	-2	3	328.390	1.991	50	0		EDAAHL
O=C([O-])CCn1cc(CN2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)cn1	ZINC000091664405	304065025	/nfs/dbraw/zinc/06/50/25/304065025.db2.gz	WEZREJXJGVAABW-LSDHHAIUSA-N	-2	3	344.371	1.053	50	0		EDAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)ccc3C)c(=O)c1-2	ZINC000018212284	441249795	/nfs/dbraw/zinc/24/97/95/441249795.db2.gz	LJIVJJIPUXDHPN-GHMZBOCLSA-N	-2	3	335.747	1.029	50	0		EDAAHL
Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2nc(=O)c3sccc3[n-]2)n1	ZINC000192787662	442686311	/nfs/dbraw/zinc/68/63/11/442686311.db2.gz	IQZMPORUGFZJFD-SECBINFHSA-N	-2	3	331.401	1.982	50	0		EDAAHL
CCOc1ccc([C@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=NN2)cc1	ZINC000101494920	219129202	/nfs/dbraw/zinc/12/92/02/219129202.db2.gz	QVYOQGPBGHRXDX-LLVKDONJSA-N	-2	3	346.412	1.986	50	0		EDAAHL
CC1=C[C@@H](c2ccccc2)N2N=C([N-]C(=O)CCCC(=O)[O-])NC2=N1	ZINC000001297105	440840054	/nfs/dbraw/zinc/84/00/54/440840054.db2.gz	PZYITIWETOZXIX-ZDUSSCGKSA-N	-2	3	341.371	1.548	50	0		EDAAHL
CCCCc1c([O-])nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c1=O	ZINC000008582809	441096100	/nfs/dbraw/zinc/09/61/00/441096100.db2.gz	JGAQJTHBEHSTRO-JTQLQIEISA-N	-2	3	341.433	1.205	50	0		EDAAHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000003412817	210031980	/nfs/dbraw/zinc/03/19/80/210031980.db2.gz	PJGCWKMZBLUPLO-ANLVUFKYSA-N	-2	3	328.173	1.106	50	0		EDAAHL
CC(C)(O)CCc1cccc(C(=O)NCCc2nc([O-])cc(=O)[n-]2)c1	ZINC000072419766	216208132	/nfs/dbraw/zinc/20/81/32/216208132.db2.gz	SJWVXIJUHMVPJZ-UHFFFAOYSA-N	-2	3	345.399	1.152	50	0		EDAAHL
Cc1nc(NC(=O)[N-]S(=O)(=O)c2cccs2)[n-]c(=O)c1C	ZINC000013407803	441158642	/nfs/dbraw/zinc/15/86/42/441158642.db2.gz	LEYZJCPXZCOYKD-UHFFFAOYSA-N	-2	3	328.375	1.371	50	0		EDAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc4ccccc43)c(=O)c1-2	ZINC000017920978	441245850	/nfs/dbraw/zinc/24/58/50/441245850.db2.gz	RDCHQYFNINCDCX-ZIAGYGMSSA-N	-2	3	337.335	1.220	50	0		EDAAHL
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000262916194	139312571	/nfs/dbraw/zinc/31/25/71/139312571.db2.gz	ICWYRUXGPGNQRJ-CYBMUJFWSA-N	-2	3	342.417	1.216	50	0		EDAAHL
CCC(=O)c1c([O-])n(-c2cccc(C(F)(F)F)c2)c(=O)[n-]c1=O	ZINC000023226896	212360888	/nfs/dbraw/zinc/36/08/88/212360888.db2.gz	UUCJLLPUJNTUNF-UHFFFAOYSA-N	-2	3	328.246	1.843	50	0		EDAAHL
O=C([O-])[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H]1c1ccncc1	ZINC000091462563	218011281	/nfs/dbraw/zinc/01/12/81/218011281.db2.gz	RBIHIAIVZDFOSS-UONOGXRCSA-N	-2	3	344.342	1.796	50	0		EDAAHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1	ZINC000065563614	441460406	/nfs/dbraw/zinc/46/04/06/441460406.db2.gz	PNRTYPXXEAYFJI-UHFFFAOYSA-N	-2	3	330.365	1.988	50	0		EDAAHL
Cc1cccc([C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C(=O)[O-])c1	ZINC000221451954	443072647	/nfs/dbraw/zinc/07/26/47/443072647.db2.gz	DFEHLVRUJYVXIL-HNNXBMFYSA-N	-2	3	329.356	1.180	50	0		EDAAHL
CC(C)(C)n1cc(C(=O)[N-]N=c2ccc(C(F)(F)F)n[n-]2)nn1	ZINC000189755415	486717020	/nfs/dbraw/zinc/71/70/20/486717020.db2.gz	PEHHUCHFDBIVHD-UHFFFAOYSA-N	-2	3	329.286	1.599	50	0		EDAAHL
Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)c3ccccc3[O-])CC2)n1	ZINC000192678920	442675519	/nfs/dbraw/zinc/67/55/19/442675519.db2.gz	NNBWOPIHTGXAEJ-CYBMUJFWSA-N	-2	3	342.399	1.715	50	0		EDAAHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000003412821	210031854	/nfs/dbraw/zinc/03/18/54/210031854.db2.gz	PJGCWKMZBLUPLO-MLUIRONXSA-N	-2	3	328.173	1.106	50	0		EDAAHL
CCOC(=O)c1sc2[n-]c(CSCC(=O)[O-])nc(=O)c2c1C	ZINC000003300886	210001911	/nfs/dbraw/zinc/00/19/11/210001911.db2.gz	ONTNGYYKHQRYMK-UHFFFAOYSA-N	-2	3	342.398	1.788	50	0		EDAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]CC2CC2)c(Br)s1	ZINC000037465671	213149802	/nfs/dbraw/zinc/14/98/02/213149802.db2.gz	DCJIFMJEYCMXFW-UHFFFAOYSA-N	-2	3	340.220	1.897	50	0		EDAAHL
Cc1ccc2c([O-])c(C(=O)N3CCc4c(nc[n-]c4=O)C3)cnc2n1	ZINC000328593427	258043557	/nfs/dbraw/zinc/04/35/57/258043557.db2.gz	DJNNCRZPOZGGQX-UHFFFAOYSA-N	-2	3	337.339	1.338	50	0		EDAAHL
Cc1ccc2c(n1)[n-]cc(C(=O)N1CCc3c(nc[n-]c3=O)C1)c2=O	ZINC000328593427	258043558	/nfs/dbraw/zinc/04/35/58/258043558.db2.gz	DJNNCRZPOZGGQX-UHFFFAOYSA-N	-2	3	337.339	1.338	50	0		EDAAHL
CCOC(=O)c1ccc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2O)c([O-])c1	ZINC000072290505	441221986	/nfs/dbraw/zinc/22/19/86/441221986.db2.gz	OWGPUDQZGGOAKQ-GXTWGEPZSA-N	-2	3	343.401	1.614	50	0		EDAAHL
CCC[C@H](N[C@H](C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000230037570	443132948	/nfs/dbraw/zinc/13/29/48/443132948.db2.gz	ODAIHABQVKJNIY-HTOAHKCRSA-N	-2	3	340.420	1.462	50	0		EDAAHL
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1[O-]	ZINC000004575477	210224512	/nfs/dbraw/zinc/22/45/12/210224512.db2.gz	WDBQJJLKYSJHQY-XBXARRHUSA-N	-2	3	327.134	1.734	50	0		EDAAHL
CCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2cccs2)[n-]c1=O	ZINC000013407807	441159429	/nfs/dbraw/zinc/15/94/29/441159429.db2.gz	HCXWGYGBFBTEMB-UHFFFAOYSA-N	-2	3	342.402	1.625	50	0		EDAAHL
C[C@@H]1C[C@H]1c1ccc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)o1	ZINC000328586570	444387560	/nfs/dbraw/zinc/38/75/60/444387560.db2.gz	GGUHSRGQHWQLQD-RNFRBKRXSA-N	-2	3	342.402	1.878	50	0		EDAAHL
O=C([O-])C[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)C(=O)[O-]	ZINC000299761098	258077801	/nfs/dbraw/zinc/07/78/01/258077801.db2.gz	REZULNANPIOLBL-OAHLLOKOSA-N	-2	3	348.399	1.333	50	0		EDAAHL
O=C([O-])CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1	ZINC000009691982	441107002	/nfs/dbraw/zinc/10/70/02/441107002.db2.gz	WMLHTZLONACGIP-UHFFFAOYSA-N	-2	3	336.760	1.939	50	0		EDAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100165680	219093568	/nfs/dbraw/zinc/09/35/68/219093568.db2.gz	MINMHOUNGOUDNR-CABCVRRESA-N	-2	3	349.346	1.247	50	0		EDAAHL
CCC[C@H](NC(=O)Cc1cc(=O)oc2c(C)c([O-])ccc12)C(=O)[O-]	ZINC000004063848	210111105	/nfs/dbraw/zinc/11/11/05/210111105.db2.gz	DNUSTSREINMNEP-LBPRGKRZSA-N	-2	3	333.340	1.719	50	0		EDAAHL
Cc1c(CC(=O)NC[C@H]2CCCO2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000005350610	440950541	/nfs/dbraw/zinc/95/05/41/440950541.db2.gz	MIUQJYJMHSBYSV-LLVKDONJSA-N	-2	3	333.340	1.350	50	0		EDAAHL
CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)n[n-]c2=S)cc1	ZINC000005890991	440972862	/nfs/dbraw/zinc/97/28/62/440972862.db2.gz	FATGEJIWYMFIKB-UHFFFAOYSA-N	-2	3	345.384	1.296	50	0		EDAAHL
Cn1c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c(=O)[n-]c1=S	ZINC000101763410	441161555	/nfs/dbraw/zinc/16/15/55/441161555.db2.gz	MJEDGZOTPHQNFN-QMMMGPOBSA-N	-2	3	346.368	1.316	50	0		EDAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(C)CC2)c1C(=O)[O-]	ZINC000036365419	441607236	/nfs/dbraw/zinc/60/72/36/441607236.db2.gz	PHKRKUXIAJCNNC-HNNXBMFYSA-N	-2	3	331.372	1.250	50	0		EDAAHL
CCc1nc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)cn1CC1CC1	ZINC000663286206	453755227	/nfs/dbraw/zinc/75/52/27/453755227.db2.gz	PKGQHPJHOFIRPS-VXGBXAGGSA-N	-2	3	339.417	1.163	50	0		EDAAHL
NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000046303741	441100145	/nfs/dbraw/zinc/10/01/45/441100145.db2.gz	HFNZSZLIEJFEBR-UHFFFAOYSA-N	-2	3	334.353	1.213	50	0		EDAAHL
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000071284936	441144161	/nfs/dbraw/zinc/14/41/61/441144161.db2.gz	NFCBHLSAHGNODJ-MNOVXSKESA-N	-2	3	344.364	1.493	50	0		EDAAHL
COc1ccccc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000013310548	441157116	/nfs/dbraw/zinc/15/71/16/441157116.db2.gz	HZTKKQAGBFUTQU-UHFFFAOYSA-N	-2	3	341.410	1.976	50	0		EDAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000004361375	210180450	/nfs/dbraw/zinc/18/04/50/210180450.db2.gz	MINMHOUNGOUDNR-HUUCEWRRSA-N	-2	3	349.346	1.247	50	0		EDAAHL
COc1ccccc1[C@H]1CC(c2c(=O)[n-]c(=S)n(C)c2[O-])=NN1	ZINC000101763431	219162475	/nfs/dbraw/zinc/16/24/75/219162475.db2.gz	IQVQBRRGTJUKOM-SECBINFHSA-N	-2	3	332.385	1.596	50	0		EDAAHL
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)Nc1ncccc1[O-]	ZINC000048314482	441291391	/nfs/dbraw/zinc/29/13/91/441291391.db2.gz	LBYNVPLYOWDPRQ-UHFFFAOYSA-N	-2	3	337.339	1.422	50	0		EDAAHL
CC[C@H](C)c1ccccc1OCC(=O)NCCc1nc([O-])cc(=O)[n-]1	ZINC000063869979	441360454	/nfs/dbraw/zinc/36/04/54/441360454.db2.gz	VCYZZJJIARKPPK-LBPRGKRZSA-N	-2	3	345.399	1.727	50	0		EDAAHL
CS(=O)(=O)c1nc([N-]C(=O)c2cnc(-c3ccco3)s2)n[n-]1	ZINC000070013102	441103910	/nfs/dbraw/zinc/10/39/10/441103910.db2.gz	SYOZNUGULGOJBL-UHFFFAOYSA-N	-2	3	339.358	1.177	50	0		EDAAHL
CC(C)(NC(=O)OCc1ccccc1)c1nc(C(=O)[O-])c(O)c(=O)[n-]1	ZINC000095836232	441953448	/nfs/dbraw/zinc/95/34/48/441953448.db2.gz	QRGVJIXXHJKLHH-UHFFFAOYSA-N	-2	3	347.327	1.748	50	0		EDAAHL
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000065590266	441465633	/nfs/dbraw/zinc/46/56/33/441465633.db2.gz	RKEIPWIAEMVYOK-UHFFFAOYSA-N	-2	3	346.364	1.770	50	0		EDAAHL
CC(C)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC000358853005	445811474	/nfs/dbraw/zinc/81/14/74/445811474.db2.gz	XKGIRXDIUMHUEA-VIFPVBQESA-N	-2	3	340.323	1.878	50	0		EDAAHL
Cc1nc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)cc(=O)[n-]1	ZINC000077538549	203395064	/nfs/dbraw/zinc/39/50/64/203395064.db2.gz	OTQQYFIDGAGEFK-UHFFFAOYSA-N	-2	3	338.327	1.241	50	0		EDAAHL
C[C@@]1(c2cccc(NC(=O)CCCCC(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000263319227	139335613	/nfs/dbraw/zinc/33/56/13/139335613.db2.gz	QWOIKVSZEVBUGR-INIZCTEOSA-N	-2	3	333.344	1.325	50	0		EDAAHL
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1[O-]	ZINC000000070065	440796108	/nfs/dbraw/zinc/79/61/08/440796108.db2.gz	RUKNBZPNGQHSJO-OIBJUYFYSA-N	-2	3	334.191	1.952	50	0		EDAAHL
COc1ccc(Br)cc1S(=O)(=O)[N-]CCC(=O)[O-]	ZINC000016652337	441230299	/nfs/dbraw/zinc/23/02/99/441230299.db2.gz	UZYVTKIAWIJKGY-UHFFFAOYSA-N	-2	3	338.179	1.211	50	0		EDAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1	ZINC000078714647	441964428	/nfs/dbraw/zinc/96/44/28/441964428.db2.gz	LFRGAPRYNWDTRP-UHFFFAOYSA-N	-2	3	345.384	1.600	50	0		EDAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1	ZINC000078714647	441964432	/nfs/dbraw/zinc/96/44/32/441964432.db2.gz	LFRGAPRYNWDTRP-UHFFFAOYSA-N	-2	3	345.384	1.600	50	0		EDAAHL
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-]	ZINC000000264957	440810942	/nfs/dbraw/zinc/81/09/42/440810942.db2.gz	DIFCADKEDMZWJM-MRVPVSSYSA-N	-2	3	342.236	1.898	50	0		EDAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000002689535	440872538	/nfs/dbraw/zinc/87/25/38/440872538.db2.gz	JBPARSXZNLGELM-UHFFFAOYSA-N	-2	3	335.337	1.957	50	0		EDAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1	ZINC000005252763	440944712	/nfs/dbraw/zinc/94/47/12/440944712.db2.gz	FBVDPNAUZQZTKX-UHFFFAOYSA-N	-2	3	332.337	1.680	50	0		EDAAHL
Cc1c(CC(=O)NCc2ccccn2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000005351775	440951219	/nfs/dbraw/zinc/95/12/19/440951219.db2.gz	HLSLKOQVPPAATB-UHFFFAOYSA-N	-2	3	340.335	1.767	50	0		EDAAHL
O=C(c1ncccc1[O-])N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1	ZINC000071749592	203106359	/nfs/dbraw/zinc/10/63/59/203106359.db2.gz	LDLFQKGTLXDONN-UHFFFAOYSA-N	-2	3	349.350	1.131	50	0		EDAAHL
O=C([N-]n1c(=O)c2ccccc2[n-]c1=S)c1cc(C2CC2)[nH]n1	ZINC000102003110	204028358	/nfs/dbraw/zinc/02/83/58/204028358.db2.gz	DXAYGGBWFVKVQR-UHFFFAOYSA-N	-2	3	327.369	1.670	50	0		EDAAHL
Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000237701683	139058232	/nfs/dbraw/zinc/05/82/32/139058232.db2.gz	MPAPRWZFJMXDSR-UHFFFAOYSA-N	-2	3	343.430	1.318	50	0		EDAAHL
CCN1CCN([C@@H](C(=O)[O-])c2cn(C)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036354972	285331618	/nfs/dbraw/zinc/33/16/18/285331618.db2.gz	ACWKGKUWFBOLOU-MRXNPFEDSA-N	-2	3	345.399	1.640	50	0		EDAAHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000003412818	440898139	/nfs/dbraw/zinc/89/81/39/440898139.db2.gz	PJGCWKMZBLUPLO-SSDLBLMSSA-N	-2	3	328.173	1.106	50	0		EDAAHL
NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC000075260834	202379806	/nfs/dbraw/zinc/37/98/06/202379806.db2.gz	KHPKPRZYNLRNGA-UHFFFAOYSA-N	-2	3	326.761	1.945	50	0		EDAAHL
Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2nc(=O)c3sccc3[n-]2)n1	ZINC000192787674	442686485	/nfs/dbraw/zinc/68/64/85/442686485.db2.gz	IQZMPORUGFZJFD-VIFPVBQESA-N	-2	3	331.401	1.982	50	0		EDAAHL
O=C([O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1	ZINC000262409280	139276922	/nfs/dbraw/zinc/27/69/22/139276922.db2.gz	PAVZJXVHDRJYMG-UHFFFAOYSA-N	-2	3	333.793	1.882	50	0		EDAAHL
O=C1[N-]C(=O)/C(=C\c2ccc([O-])c(I)c2)N1	ZINC000018272525	280278210	/nfs/dbraw/zinc/27/82/10/280278210.db2.gz	RZFDYLLHWYUKRN-QPJJXVBHSA-N	-2	3	330.081	1.177	50	0		EDAAHL
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1	ZINC000353821520	445770992	/nfs/dbraw/zinc/77/09/92/445770992.db2.gz	CLDMPOMHNFYGPZ-UHFFFAOYSA-N	-2	3	336.304	1.596	50	0		EDAAHL
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1	ZINC000353821520	445770994	/nfs/dbraw/zinc/77/09/94/445770994.db2.gz	CLDMPOMHNFYGPZ-UHFFFAOYSA-N	-2	3	336.304	1.596	50	0		EDAAHL
Cc1nc(C)c(CCC(=O)N=c2nc(C3(C)CC3)[n-]s2)c(=O)[n-]1	ZINC000530265996	449097510	/nfs/dbraw/zinc/09/75/10/449097510.db2.gz	ONJPIXAJHSIJHY-UHFFFAOYSA-N	-2	3	333.417	1.695	50	0		EDAAHL
CCC[C@@H](NC(=O)Cc1cc(=O)oc2c(C)c([O-])ccc12)C(=O)[O-]	ZINC000004063850	440910906	/nfs/dbraw/zinc/91/09/06/440910906.db2.gz	DNUSTSREINMNEP-GFCCVEGCSA-N	-2	3	333.340	1.719	50	0		EDAAHL
O=C([O-])Cn1nccc1[C@@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1	ZINC000426401880	447435376	/nfs/dbraw/zinc/43/53/76/447435376.db2.gz	NVBBWPJXRVTESA-GFCCVEGCSA-N	-2	3	344.371	1.441	50	0		EDAAHL
O=c1[n-]cnc2c1C(c1ccc(Cl)cc1)c1c(=O)[n-]cnc1O2	ZINC000009434961	441105088	/nfs/dbraw/zinc/10/50/88/441105088.db2.gz	UZDHGVRQECLHEU-UHFFFAOYSA-N	-2	3	328.715	1.793	50	0		EDAAHL
C[C@]1(c2cccc(NC(=O)CCCCC(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000263319229	139335615	/nfs/dbraw/zinc/33/56/15/139335615.db2.gz	QWOIKVSZEVBUGR-MRXNPFEDSA-N	-2	3	333.344	1.325	50	0		EDAAHL
CC[C@@H](NC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000004062082	440911240	/nfs/dbraw/zinc/91/12/40/440911240.db2.gz	DGTCRFIPTQTOCR-GFCCVEGCSA-N	-2	3	333.340	1.637	50	0		EDAAHL
Cc1cccc(O[C@H](C(=O)NCCc2nc([O-])cc(=O)[n-]2)C(C)C)c1	ZINC000220186293	485785714	/nfs/dbraw/zinc/78/57/14/485785714.db2.gz	QCFCRJJEHRNZDP-KRWDZBQOSA-N	-2	3	345.399	1.959	50	0		EDAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2	ZINC000004553197	258051032	/nfs/dbraw/zinc/05/10/32/258051032.db2.gz	IZVURBLVFVBIRA-GHMZBOCLSA-N	-2	3	335.747	1.029	50	0		EDAAHL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000000127996	440800310	/nfs/dbraw/zinc/80/03/10/440800310.db2.gz	CFPNPKCJKZQBFE-UHFFFAOYSA-N	-3	3	337.309	1.589	50	0		EDAAHL
Cc1nnc(-c2cccc(C(=O)OCc3nc([O-])cc(=O)[n-]3)c2)o1	ZINC000095444279	218388984	/nfs/dbraw/zinc/38/89/84/218388984.db2.gz	MEIWXIBKPJQYGZ-UHFFFAOYSA-N	-2	3	328.284	1.191	50	0		EDAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C(N)=O	ZINC000000182686	440804902	/nfs/dbraw/zinc/80/49/02/440804902.db2.gz	JXFRCVQUQJLURE-UHFFFAOYSA-N	-2	3	334.353	1.593	50	0		EDAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)[N-]C3=O)cc1	ZINC000001052716	440838900	/nfs/dbraw/zinc/83/89/00/440838900.db2.gz	OZXOPOQVTQQLKN-UHFFFAOYSA-N	-2	3	332.337	1.380	50	0		EDAAHL
COC(=O)[C@@]([O-])(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F	ZINC000002504005	440864957	/nfs/dbraw/zinc/86/49/57/440864957.db2.gz	BYYFFXHWQYMWGO-ZDUSSCGKSA-N	-2	3	330.262	1.397	50	0		EDAAHL
O=C(c1ncccc1[O-])N1CCc2c(=O)[n-]c(-c3ccncc3)nc2C1	ZINC000071753018	441151700	/nfs/dbraw/zinc/15/17/00/441151700.db2.gz	NKEFPRDBGLTXFV-UHFFFAOYSA-N	-2	3	349.350	1.131	50	0		EDAAHL
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=S)[n-]c1=O	ZINC000008856495	211012889	/nfs/dbraw/zinc/01/28/89/211012889.db2.gz	IYVXZRPLJKPHGK-SECBINFHSA-N	-2	3	336.325	1.827	50	0		EDAAHL
COc1cc(C(=O)[O-])cc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c1	ZINC000534577401	448453076	/nfs/dbraw/zinc/45/30/76/448453076.db2.gz	RTLCNXSJZWUQAB-UHFFFAOYSA-N	-2	3	329.312	1.353	50	0		EDAAHL
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC000004217270	210145813	/nfs/dbraw/zinc/14/58/13/210145813.db2.gz	ODAIHABQVKJNIY-PEDHHIEDSA-N	-2	3	340.420	1.462	50	0	world	EDAAHL
CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000262345173	139271974	/nfs/dbraw/zinc/27/19/74/139271974.db2.gz	ZQAIPFPXRZTAFU-MRVPVSSYSA-N	-2	3	326.296	1.488	50	0		EDAAHL
O=C([O-])c1ccc2c(c1)C(=O)N(c1nnc(-c3ccccc3)[n-]1)C2=O	ZINC000004209692	440914339	/nfs/dbraw/zinc/91/43/39/440914339.db2.gz	ULNMORBTPODQLA-UHFFFAOYSA-N	-2	3	334.291	1.971	50	0		EDAAHL
O=C([O-])c1ccc2c(c1)C(=O)N(c1nc(-c3ccccc3)n[n-]1)C2=O	ZINC000004209692	440914343	/nfs/dbraw/zinc/91/43/43/440914343.db2.gz	ULNMORBTPODQLA-UHFFFAOYSA-N	-2	3	334.291	1.971	50	0		EDAAHL
O=C([O-])c1ccc2c(c1)C(=O)N(c1n[n-]c(-c3ccccc3)n1)C2=O	ZINC000004209692	440914347	/nfs/dbraw/zinc/91/43/47/440914347.db2.gz	ULNMORBTPODQLA-UHFFFAOYSA-N	-2	3	334.291	1.971	50	0		EDAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1	ZINC000065563530	441459931	/nfs/dbraw/zinc/45/99/31/441459931.db2.gz	NWYYWISRHCUPKN-UHFFFAOYSA-N	-3	3	346.320	1.069	50	0		EDAAHL
CCC1(C(=O)[O-])CCN(C(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)CC1	ZINC000217409152	241248352	/nfs/dbraw/zinc/24/83/52/241248352.db2.gz	NECOCQHUAHAIOP-UHFFFAOYSA-N	-2	3	335.404	1.784	50	0		EDAAHL
Cc1cc(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)sc1C(=O)[O-]	ZINC000079075772	217187981	/nfs/dbraw/zinc/18/79/81/217187981.db2.gz	RJGGOVRFGBVFNY-UHFFFAOYSA-N	-2	3	328.371	1.552	50	0		EDAAHL
O=Nc1c([O-])c2c([O-])cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-]	ZINC000004759155	210272406	/nfs/dbraw/zinc/27/24/06/210272406.db2.gz	ZZMSOJNZJNSCEN-UHFFFAOYSA-N	-4	3	349.298	1.142	50	0		EDAAHL
CCC[C@@](C)(NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000089949440	441603386	/nfs/dbraw/zinc/60/33/86/441603386.db2.gz	XSQWIDRRLSVITA-IAGOWNOFSA-N	-2	3	347.371	1.114	50	0		EDAAHL