smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ncccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000100071973	569752402	/nfs/dbraw/zinc/75/24/02/569752402.db2.gz	GNOVKNAMSGDHAT-DQRAZIAOSA-N	-2	0	459.461	4.002	40	10		JICBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1	ZINC000408755030	570035326	/nfs/dbraw/zinc/03/53/26/570035326.db2.gz	PMBHGMAARZKVHQ-LDADJPATSA-N	-2	0	480.860	4.363	40	10		JICBRL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1	ZINC000408773431	570039450	/nfs/dbraw/zinc/03/94/50/570039450.db2.gz	QLPKUWGSTITSJT-CIAFOILYSA-N	-2	0	476.872	4.284	40	10		JICBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1	ZINC000408786236	570043097	/nfs/dbraw/zinc/04/30/97/570043097.db2.gz	HPRVBVCPTXKEJD-FYJGNVAPSA-N	-2	0	476.872	4.284	40	10		JICBRL
O=C([O-])c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	ZINC000408935134	570081156	/nfs/dbraw/zinc/08/11/56/570081156.db2.gz	GXONPXNPMQGFPN-FYJGNVAPSA-N	-2	0	476.872	4.284	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1	ZINC000408940778	570082555	/nfs/dbraw/zinc/08/25/55/570082555.db2.gz	OQYJNNCORXXGNT-UDWIEESQSA-N	-2	0	494.862	4.423	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1	ZINC000408941894	570082854	/nfs/dbraw/zinc/08/28/54/570082854.db2.gz	PZSOALQEYQBLPX-XDHOZWIPSA-N	-2	0	494.862	4.423	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)cc1C	ZINC000408960422	570085656	/nfs/dbraw/zinc/08/56/56/570085656.db2.gz	FRFLKMXNDITRPT-UDWIEESQSA-N	-2	0	460.511	4.401	40	10		JICBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1	ZINC000409072933	570118939	/nfs/dbraw/zinc/11/89/39/570118939.db2.gz	UIBVQVBUJOQSGP-YBFXNURJSA-N	-2	0	494.862	4.423	40	10		JICBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000409188505	570161060	/nfs/dbraw/zinc/16/10/60/570161060.db2.gz	CKBHOOFZRXTMGI-NDENLUEZSA-N	-2	0	479.945	4.277	40	10		JICBRL
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000409188970	570161248	/nfs/dbraw/zinc/16/12/48/570161248.db2.gz	LSNUWNJVCIUCKS-HYARGMPZSA-N	-2	0	487.581	4.494	40	10		JICBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)ccc21	ZINC000409193626	570162737	/nfs/dbraw/zinc/16/27/37/570162737.db2.gz	IBWLVPIQQZVKKN-ZRRZQRFHSA-N	-2	0	472.284	4.260	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O	ZINC000409246220	570184271	/nfs/dbraw/zinc/18/42/71/570184271.db2.gz	GMOGZXZWDRHSNQ-QGOAFFKASA-N	-2	0	460.442	4.018	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000408545364	570192820	/nfs/dbraw/zinc/19/28/20/570192820.db2.gz	YGGYVFLNQGZHKH-UDWIEESQSA-N	-2	0	485.521	4.121	40	10		JICBRL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000014132987	555700641	/nfs/dbraw/zinc/70/06/41/555700641.db2.gz	SGWCCJWSAFCVNC-LFIBNONCSA-N	-2	0	450.834	4.273	40	10		JICBRL
Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000033781991	569634642	/nfs/dbraw/zinc/63/46/42/569634642.db2.gz	MYRFUKUUJNCNEP-OVCLIPMQSA-N	-2	0	476.601	4.018	40	10		JICBRL
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000217684657	569880951	/nfs/dbraw/zinc/88/09/51/569880951.db2.gz	MIYPDJUSRAYWCW-JXALWOEJSA-N	-2	0	476.558	4.419	40	10		JICBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)c1	ZINC000408755549	570035462	/nfs/dbraw/zinc/03/54/62/570035462.db2.gz	QRCYHWAXXFKKQY-GZTJUZNOSA-N	-2	0	466.902	4.438	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408785207	570042912	/nfs/dbraw/zinc/04/29/12/570042912.db2.gz	ZUFFGOULGZKNND-LPYMAVHISA-N	-2	0	471.513	4.384	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408786867	570043319	/nfs/dbraw/zinc/04/33/19/570043319.db2.gz	OUOLTHHEZMBXIU-UDWIEESQSA-N	-2	0	477.904	4.421	40	10		JICBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000408899606	570068037	/nfs/dbraw/zinc/06/80/37/570068037.db2.gz	PLPAQZJHVRETNG-HYARGMPZSA-N	-2	0	470.481	4.247	40	10		JICBRL
O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)c3ccccc32)c1	ZINC000408911043	570072822	/nfs/dbraw/zinc/07/28/22/570072822.db2.gz	MPIPMQWEBSQFRQ-WSDLNYQXSA-N	-2	0	483.455	4.193	40	10		JICBRL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)o2)cc1Cl	ZINC000408919655	570076678	/nfs/dbraw/zinc/07/66/78/570076678.db2.gz	ZTBNWGACCDHXCH-YBEGLDIGSA-N	-2	0	470.865	4.269	40	10		JICBRL
O=C([O-])c1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1	ZINC000409048539	570109350	/nfs/dbraw/zinc/10/93/50/570109350.db2.gz	RRZLQUPUTWXXQS-MOSHPQCFSA-N	-2	0	476.872	4.284	40	10		JICBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000409233301	570178645	/nfs/dbraw/zinc/17/86/45/570178645.db2.gz	FITIDTNADWBMCS-MHWRWJLKSA-N	-2	0	470.268	4.149	40	10		JICBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1	ZINC000409250052	570185572	/nfs/dbraw/zinc/18/55/72/570185572.db2.gz	MEIFVYZQSIRMAF-GZTJUZNOSA-N	-2	0	486.427	4.495	40	10		JICBRL
Cc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409327394	570202472	/nfs/dbraw/zinc/20/24/72/570202472.db2.gz	JKCFDCNFEFSNAP-WOJGMQOQSA-N	-2	0	483.596	4.400	40	10		JICBRL
Cc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)c(N)c(/N=N/c2ccc(S(=O)(=O)[O-])cc2)c1N	ZINC000004707583	194394149	/nfs/dbraw/zinc/39/41/49/194394149.db2.gz	AUPOYHVOSSAUEG-BQASJOSNSA-N	-2	0	490.523	4.484	40	10		JICBRL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)cc2Cl)c1	ZINC000408693879	570016556	/nfs/dbraw/zinc/01/65/56/570016556.db2.gz	AIUPPMQAVMXRDB-WOJGMQOQSA-N	-2	0	468.893	4.022	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000408740756	570032079	/nfs/dbraw/zinc/03/20/79/570032079.db2.gz	HXBIRXQCFUCAPS-WUXMJOGZSA-N	-2	0	496.180	4.057	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408933555	570080780	/nfs/dbraw/zinc/08/07/80/570080780.db2.gz	BHFOZODPUSYPDJ-YBFXNURJSA-N	-2	0	463.877	4.112	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	ZINC000408942411	570082906	/nfs/dbraw/zinc/08/29/06/570082906.db2.gz	QRUBXJBBZWPSPJ-YBFXNURJSA-N	-2	0	494.862	4.423	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000408961979	570086310	/nfs/dbraw/zinc/08/63/10/570086310.db2.gz	WKIAFAIGBZTSRM-KGENOOAVSA-N	-2	0	486.549	4.412	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409144983	570146358	/nfs/dbraw/zinc/14/63/58/570146358.db2.gz	QSTSYKQKIPWNON-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409221990	570174908	/nfs/dbraw/zinc/17/49/08/570174908.db2.gz	AOFJJSVJAJMZIF-XDHOZWIPSA-N	-2	0	477.904	4.421	40	10		JICBRL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1	ZINC000409231050	570177800	/nfs/dbraw/zinc/17/78/00/570177800.db2.gz	AZRXLTCHQVCNQO-GZTJUZNOSA-N	-2	0	486.427	4.495	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000409239226	570181163	/nfs/dbraw/zinc/18/11/63/570181163.db2.gz	CNRVFFIVPABIGC-UDWIEESQSA-N	-2	0	473.554	4.240	40	10		JICBRL
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)o1	ZINC000408541041	570191507	/nfs/dbraw/zinc/19/15/07/570191507.db2.gz	DIMWBWRMBGMTSS-VXLYETTFSA-N	-2	0	489.871	4.301	40	10		JICBRL
CC(C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026787033	556263759	/nfs/dbraw/zinc/26/37/59/556263759.db2.gz	GALBQIOVCKFZNE-UHFFFAOYSA-N	-2	0	476.532	4.057	40	10		JICBRL
Nc1c(/N=N\c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000104342695	569845169	/nfs/dbraw/zinc/84/51/69/569845169.db2.gz	LEFKRJUXUIRAEN-IZHYLOQSSA-N	-2	0	483.531	4.280	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408782107	570041907	/nfs/dbraw/zinc/04/19/07/570041907.db2.gz	HKXYPHHIYISDPM-LPYMAVHISA-N	-2	0	457.486	4.076	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408966643	570087619	/nfs/dbraw/zinc/08/76/19/570087619.db2.gz	NGPSVGWYBWHAPZ-VCHYOVAHSA-N	-2	0	497.935	4.416	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1Cl	ZINC000408984820	570092005	/nfs/dbraw/zinc/09/20/05/570092005.db2.gz	SUHPFXOFRZLWIF-QCDXTXTGSA-N	-2	0	483.691	4.085	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000409189497	570161501	/nfs/dbraw/zinc/16/15/01/570161501.db2.gz	PTEMCNWSVPVNBJ-RGVLZGJSSA-N	-2	0	479.945	4.277	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000409193753	570162826	/nfs/dbraw/zinc/16/28/26/570162826.db2.gz	MBTZHQFSISXMBY-HYARGMPZSA-N	-2	0	481.533	4.219	40	10		JICBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c1	ZINC000409226567	570176103	/nfs/dbraw/zinc/17/61/03/570176103.db2.gz	UPYVLUNSTQSQAJ-RGVLZGJSSA-N	-2	0	477.450	4.262	40	10		JICBRL
Cc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)c(N)c(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1N	ZINC000017324295	526098697	/nfs/dbraw/zinc/09/86/97/526098697.db2.gz	AUPOYHVOSSAUEG-KUXGFVDGSA-N	-2	0	490.523	4.484	40	10		JICBRL
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1	ZINC000008892952	526382881	/nfs/dbraw/zinc/38/28/81/526382881.db2.gz	ZVETYNQGPSOVQI-UNOMPAQXSA-N	-2	0	482.901	4.119	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C1=O	ZINC000009265500	555041699	/nfs/dbraw/zinc/04/16/99/555041699.db2.gz	NKHBTVCRSUHUPP-ZHZULCJRSA-N	-2	0	487.512	4.166	40	10		JICBRL
O=C1c2c(O)cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1cccc2ccccc21	ZINC000100134232	569753487	/nfs/dbraw/zinc/75/34/87/569753487.db2.gz	NMBIMCYCRFBUAF-DQRAZIAOSA-N	-2	0	474.472	4.313	40	10	in-vitro	JICBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)o2)c1	ZINC000408762867	570037295	/nfs/dbraw/zinc/03/72/95/570037295.db2.gz	CEZWLSPDWUWRBP-MHWRWJLKSA-N	-2	0	454.797	4.104	40	10		JICBRL
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408774459	570039829	/nfs/dbraw/zinc/03/98/29/570039829.db2.gz	LMEWQRGODFBWLJ-DEDYPNTBSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408858542	570056941	/nfs/dbraw/zinc/05/69/41/570056941.db2.gz	SXIORMDTAKUFAO-LPYMAVHISA-N	-2	0	457.486	4.076	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1	ZINC000408935298	570081247	/nfs/dbraw/zinc/08/12/47/570081247.db2.gz	COLLQENGBZBPIN-DEDYPNTBSA-N	-2	0	476.872	4.284	40	10		JICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)cc1	ZINC000408982061	570091079	/nfs/dbraw/zinc/09/10/79/570091079.db2.gz	FKVPLFMXMBKKHW-STZFKDTASA-N	-2	0	457.486	4.021	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409134159	570141490	/nfs/dbraw/zinc/14/14/90/570141490.db2.gz	NWGODARRJCFBJC-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1	ZINC000409192394	570162393	/nfs/dbraw/zinc/16/23/93/570162393.db2.gz	CEUPVXWQPARFKG-HYARGMPZSA-N	-2	0	473.554	4.186	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000409192323	570162405	/nfs/dbraw/zinc/16/24/05/570162405.db2.gz	WJWYCUSKTOCWNN-MHWRWJLKSA-N	-2	0	497.872	4.038	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000409195867	570163456	/nfs/dbraw/zinc/16/34/56/570163456.db2.gz	WQDIDZKPVRXMKV-LPYMAVHISA-N	-2	0	499.523	4.358	40	10		JICBRL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1	ZINC000409220811	570174301	/nfs/dbraw/zinc/17/43/01/570174301.db2.gz	GDRGCAUMFGZWAO-BOPFTXTBSA-N	-2	0	486.427	4.495	40	10		JICBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409236581	570180042	/nfs/dbraw/zinc/18/00/42/570180042.db2.gz	SZHLVYXMWLKWQI-WJDWOHSUSA-N	-2	0	450.834	4.273	40	10		JICBRL
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)[N-]C2=S)c1	ZINC000409237773	570180668	/nfs/dbraw/zinc/18/06/68/570180668.db2.gz	LRBVWNSLYFVCEP-XDHOZWIPSA-N	-2	0	460.511	4.401	40	10		JICBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)c1C	ZINC000408543260	570191945	/nfs/dbraw/zinc/19/19/45/570191945.db2.gz	OPOROOZNENQMRX-UDWIEESQSA-N	-2	0	483.480	4.264	40	10		JICBRL
O=C([O-])c1cccc(-n2cccc2/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000009262823	526387566	/nfs/dbraw/zinc/38/75/66/526387566.db2.gz	KLAMRSKPYZXWSM-PTNGSMBKSA-N	-2	0	486.336	4.314	40	10		JICBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000033536760	569627556	/nfs/dbraw/zinc/62/75/56/569627556.db2.gz	QLGRSEKJPCIYAB-ODLFYWEKSA-N	-2	0	478.888	4.087	40	10		JICBRL
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1	ZINC000103919097	569839045	/nfs/dbraw/zinc/83/90/45/569839045.db2.gz	IOCWIMAGPMUNFU-NKFKGCMQSA-N	-2	0	490.589	4.475	40	10		JICBRL
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000109042009	569860443	/nfs/dbraw/zinc/86/04/43/569860443.db2.gz	DYULJNXSMQUIQA-UDWIEESQSA-N	-2	0	478.888	4.087	40	10		JICBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3[O-])C2=O)ccc1Br	ZINC000408753046	570034759	/nfs/dbraw/zinc/03/47/59/570034759.db2.gz	HHLXZUHRFSBYRZ-WUXMJOGZSA-N	-2	0	470.106	4.436	40	10		JICBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000408773379	570039435	/nfs/dbraw/zinc/03/94/35/570039435.db2.gz	KIJPDWXVXHEHFE-WOJGMQOQSA-N	-2	0	450.834	4.273	40	10		JICBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)[N-]C2=S)c1C	ZINC000408790936	570043935	/nfs/dbraw/zinc/04/39/35/570043935.db2.gz	UMJRSTBVUCIXPA-HYARGMPZSA-N	-2	0	486.549	4.412	40	10		JICBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C2=O)cc1	ZINC000408913523	570074125	/nfs/dbraw/zinc/07/41/25/570074125.db2.gz	LNRHZUULMWDARQ-HYARGMPZSA-N	-2	0	487.512	4.166	40	10		JICBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000408931307	570080046	/nfs/dbraw/zinc/08/00/46/570080046.db2.gz	JUKMQIOLSLCWND-MHWRWJLKSA-N	-2	0	486.336	4.314	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1Cl	ZINC000408990214	570093804	/nfs/dbraw/zinc/09/38/04/570093804.db2.gz	WEIOFURNQLFTQU-BOPFTXTBSA-N	-2	0	450.834	4.273	40	10		JICBRL
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[N-]C1=S	ZINC000409172262	570155264	/nfs/dbraw/zinc/15/52/64/570155264.db2.gz	FMOBEOPZGUFPEX-RVDMUPIBSA-N	-2	0	482.901	4.138	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409190160	570161583	/nfs/dbraw/zinc/16/15/83/570161583.db2.gz	LRGPBWWRDNLJTH-GZTJUZNOSA-N	-2	0	497.326	4.239	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000409242959	570182738	/nfs/dbraw/zinc/18/27/38/570182738.db2.gz	PYIVFVXHYPIFPU-DEDYPNTBSA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1	ZINC000408541380	570191640	/nfs/dbraw/zinc/19/16/40/570191640.db2.gz	CMHAFVZQXXQNQW-UDWIEESQSA-N	-2	0	499.548	4.429	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C(=O)[N-]C2=S)cc1	ZINC000020457526	526373852	/nfs/dbraw/zinc/37/38/52/526373852.db2.gz	YSAGLANGOJTLML-VIZOYTHASA-N	-2	0	470.304	4.300	40	10		JICBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000028296967	556331263	/nfs/dbraw/zinc/33/12/63/556331263.db2.gz	CAJMHRGWSYOYGC-GULXKOIASA-N	-2	0	485.461	4.485	40	10		JICBRL
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000035214288	569678309	/nfs/dbraw/zinc/67/83/09/569678309.db2.gz	CNILHLYVQXAVRZ-NDENLUEZSA-N	-2	0	478.888	4.087	40	10		JICBRL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000408771033	570038885	/nfs/dbraw/zinc/03/88/85/570038885.db2.gz	DQEHHVKBRUGBEU-WOJGMQOQSA-N	-2	0	450.834	4.273	40	10		JICBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O	ZINC000408773390	570039497	/nfs/dbraw/zinc/03/94/97/570039497.db2.gz	QVTRJDOVJFIXBD-PXLXIMEGSA-N	-2	0	470.481	4.193	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1	ZINC000408941737	570082748	/nfs/dbraw/zinc/08/27/48/570082748.db2.gz	PPCNMTRBZSPSHO-DEDYPNTBSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4[O-])o3)C2=O)cc1Cl	ZINC000408982260	570091062	/nfs/dbraw/zinc/09/10/62/570091062.db2.gz	CYNMOICWYKTVEC-YBEGLDIGSA-N	-2	0	467.821	4.189	40	10		JICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)C2=O)cc1	ZINC000408983339	570091424	/nfs/dbraw/zinc/09/14/24/570091424.db2.gz	LMWFGWGMNNFLQC-XKZIYDEJSA-N	-2	0	471.513	4.330	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408983966	570091660	/nfs/dbraw/zinc/09/16/60/570091660.db2.gz	OWPWKDORNCUUPE-ODLFYWEKSA-N	-2	0	477.904	4.421	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409145679	570146715	/nfs/dbraw/zinc/14/67/15/570146715.db2.gz	QQARDIKFWJVYCS-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)ccc21	ZINC000409192603	570162492	/nfs/dbraw/zinc/16/24/92/570162492.db2.gz	ZAZWVLPRSNLSFM-ZTMOJVSCSA-N	-2	0	472.284	4.260	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409193676	570162839	/nfs/dbraw/zinc/16/28/39/570162839.db2.gz	KPDSOEIXDRKZJN-GDNBJRDFSA-N	-2	0	497.872	4.038	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409200253	570164977	/nfs/dbraw/zinc/16/49/77/570164977.db2.gz	HSFZNANIXBIHKS-DEDYPNTBSA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409236792	570180127	/nfs/dbraw/zinc/18/01/27/570180127.db2.gz	HFLORPGJVNCSGF-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000409240358	570181632	/nfs/dbraw/zinc/18/16/32/570181632.db2.gz	GUJGKQNZJIVEPQ-LDADJPATSA-N	-2	0	485.443	4.026	40	10		JICBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)ccc1Br	ZINC000408764522	570037699	/nfs/dbraw/zinc/03/76/99/570037699.db2.gz	UJKFUJYOJZQOEK-GZTJUZNOSA-N	-2	0	495.285	4.382	40	10		JICBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)[N-]C1=S	ZINC000408780943	570041556	/nfs/dbraw/zinc/04/15/56/570041556.db2.gz	NZCMCCRRZUMSJU-PXLXIMEGSA-N	-2	0	486.549	4.358	40	10		JICBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C1=O	ZINC000408914404	570074565	/nfs/dbraw/zinc/07/45/65/570074565.db2.gz	XTYVKHGANONGOH-KGENOOAVSA-N	-2	0	471.513	4.330	40	10		JICBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000408933463	570080818	/nfs/dbraw/zinc/08/08/18/570080818.db2.gz	AXPRBVJIDQHVTB-RGVLZGJSSA-N	-2	0	493.903	4.121	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1C	ZINC000408960333	570085660	/nfs/dbraw/zinc/08/56/60/570085660.db2.gz	KYIGAALBVNWKGC-HYARGMPZSA-N	-2	0	486.549	4.412	40	10		JICBRL
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000408960692	570085799	/nfs/dbraw/zinc/08/57/99/570085799.db2.gz	NWDPBJVQMAACAA-UDWIEESQSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409019290	570102434	/nfs/dbraw/zinc/10/24/34/570102434.db2.gz	IOFYWOJEIWNDDK-LPYMAVHISA-N	-2	0	473.554	4.240	40	10		JICBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)ccc21	ZINC000409192599	570162486	/nfs/dbraw/zinc/16/24/86/570162486.db2.gz	ZAZWVLPRSNLSFM-IWQAVIMZSA-N	-2	0	472.284	4.260	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000409192803	570162502	/nfs/dbraw/zinc/16/25/02/570162502.db2.gz	BLJKXISSRCSQPK-VCHYOVAHSA-N	-2	0	497.935	4.416	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409208147	570168069	/nfs/dbraw/zinc/16/80/69/570168069.db2.gz	BIIJRGHCZQTILW-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	ZINC000009884818	195014031	/nfs/dbraw/zinc/01/40/31/195014031.db2.gz	MVRUWJIMYXOZGV-HOVAHTAHSA-N	-2	0	472.327	4.383	40	10		JICBRL
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000035332298	569681075	/nfs/dbraw/zinc/68/10/75/569681075.db2.gz	XMDUBIXWUQFFQJ-HAHDFKILSA-N	-2	0	484.508	4.162	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408945930	570083513	/nfs/dbraw/zinc/08/35/13/570083513.db2.gz	OHWMMJAQKSTKCJ-DJKKODMXSA-N	-2	0	481.867	4.251	40	10		JICBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2)cc1	ZINC000409069515	570117724	/nfs/dbraw/zinc/11/77/24/570117724.db2.gz	JIPZMAHHHXSXJD-CPNJWEJPSA-N	-2	0	476.872	4.284	40	10		JICBRL
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000409189183	570161404	/nfs/dbraw/zinc/16/14/04/570161404.db2.gz	DZWCDOAMEGUXTP-SEJMYLSOSA-N	-2	0	458.923	4.047	40	10		JICBRL
O=C1c2ccccc2C(=O)C1([N-]c1nonc1-c1ccccc1)[N-]c1nonc1-c1ccccc1	ZINC000001025816	194004833	/nfs/dbraw/zinc/00/48/33/194004833.db2.gz	BHRVWQRMGFHSOF-UHFFFAOYSA-N	-2	0	464.441	4.086	40	10		JICBRL
O=C([O-])c1cccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)c1	ZINC000033709631	526389589	/nfs/dbraw/zinc/38/95/89/526389589.db2.gz	DQROPKHFVBLPSS-UNOMPAQXSA-N	-2	0	493.313	4.188	40	10		JICBRL
Cc1c(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786888	556262923	/nfs/dbraw/zinc/26/29/23/556262923.db2.gz	QSOWAXAREBLHAM-UHFFFAOYSA-N	-2	0	496.950	4.204	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1	ZINC000408935677	570081331	/nfs/dbraw/zinc/08/13/31/570081331.db2.gz	DIYKWVCEKNZUPE-XDHOZWIPSA-N	-2	0	476.872	4.284	40	10		JICBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3[O-])C2=O)cc1OC	ZINC000409132976	570140978	/nfs/dbraw/zinc/14/09/78/570140978.db2.gz	YVTTZUARETXJRR-OQLLNIDSSA-N	-2	0	479.316	4.158	40	10		JICBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21	ZINC000409191401	570162119	/nfs/dbraw/zinc/16/21/19/570162119.db2.gz	GNXHKHJGXUJSBV-BTAWCLGRSA-N	-2	0	472.284	4.260	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059248312	195395888	/nfs/dbraw/zinc/39/58/88/195395888.db2.gz	GGKQDORXMMKUHR-RGVLZGJSSA-N	-2	0	477.904	4.421	40	10		JICBRL
O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)cc1	ZINC000033524332	569627250	/nfs/dbraw/zinc/62/72/50/569627250.db2.gz	KNPPUPNRWQGLBX-UNOMPAQXSA-N	-2	0	493.313	4.188	40	10		JICBRL
Cc1cc(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c(N)c(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c1N	ZINC000104388915	569845638	/nfs/dbraw/zinc/84/56/38/569845638.db2.gz	AUPOYHVOSSAUEG-HKOLQMFGSA-N	-2	0	490.523	4.484	40	10		JICBRL
O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1	ZINC000408902105	570069100	/nfs/dbraw/zinc/06/91/00/570069100.db2.gz	GEBWZZGUPWNYOM-LPYMAVHISA-N	-2	0	483.455	4.193	40	10		JICBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000408960022	570085469	/nfs/dbraw/zinc/08/54/69/570085469.db2.gz	IBSFFLLEAIMQLG-RCCKNPSSSA-N	-2	0	486.549	4.358	40	10		JICBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000409069824	570117772	/nfs/dbraw/zinc/11/77/72/570117772.db2.gz	WXOGBRMAWGNARN-UUILKARUSA-N	-2	0	483.691	4.085	40	10		JICBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1	ZINC000409073088	570119118	/nfs/dbraw/zinc/11/91/18/570119118.db2.gz	UWGAKOSPQUQJJL-HAHDFKILSA-N	-2	0	486.480	4.029	40	10		JICBRL
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1	ZINC000409195733	570163495	/nfs/dbraw/zinc/16/34/95/570163495.db2.gz	VQWJBLCZRGISSB-WOJGMQOQSA-N	-2	0	466.902	4.438	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409217175	570173109	/nfs/dbraw/zinc/17/31/09/570173109.db2.gz	SWXAMGXWLDUGQV-XDHOZWIPSA-N	-2	0	479.945	4.277	40	10		JICBRL
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)[N-]C2=S)c1C	ZINC000408543695	570192281	/nfs/dbraw/zinc/19/22/81/570192281.db2.gz	SDTWMVBVZWUQGK-UDWIEESQSA-N	-2	0	499.548	4.429	40	10		JICBRL
Nc1c(/N=N/c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000004522188	194391608	/nfs/dbraw/zinc/39/16/08/194391608.db2.gz	LEFKRJUXUIRAEN-OCOZRVBESA-N	-2	0	483.531	4.280	40	10		JICBRL
O=C([O-])COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Cl	ZINC000059136056	195391178	/nfs/dbraw/zinc/39/11/78/195391178.db2.gz	YZDVCTJFIDNXFJ-BJMVGYQFSA-N	-2	0	469.277	4.268	40	10		JICBRL
O=C([O-])c1ccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)o1	ZINC000016525444	556142060	/nfs/dbraw/zinc/14/20/60/556142060.db2.gz	WDOHBPCHEKKVOY-GIJQJNRQSA-N	-2	0	499.435	4.216	40	10		JICBRL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000028296965	556331254	/nfs/dbraw/zinc/33/12/54/556331254.db2.gz	CAJMHRGWSYOYGC-NCPSJORJSA-N	-2	0	485.461	4.485	40	10		JICBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000033838061	569636181	/nfs/dbraw/zinc/63/61/81/569636181.db2.gz	XHVZITTZIUSXCF-ONNFQVAWSA-N	-2	0	485.758	4.488	40	10		JICBRL
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000217684736	569881030	/nfs/dbraw/zinc/88/10/30/569881030.db2.gz	MIYPDJUSRAYWCW-YOSAUDMPSA-N	-2	0	476.558	4.419	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)[N-]C2=S)cc1C	ZINC000408775430	570040092	/nfs/dbraw/zinc/04/00/92/570040092.db2.gz	PYLDEHCNSCDQTD-OEAKJJBVSA-N	-2	0	486.549	4.412	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1	ZINC000408941930	570082834	/nfs/dbraw/zinc/08/28/34/570082834.db2.gz	QDQSFGQRTQMOFC-DEDYPNTBSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)o1	ZINC000408959690	570085343	/nfs/dbraw/zinc/08/53/43/570085343.db2.gz	DHGSQKDZLMQZTP-WOJGMQOQSA-N	-2	0	466.902	4.438	40	10		JICBRL
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408961961	570086303	/nfs/dbraw/zinc/08/63/03/570086303.db2.gz	WBUWHBQYZITGDD-DEDYPNTBSA-N	-2	0	492.940	4.449	40	10		JICBRL
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000409191540	570162095	/nfs/dbraw/zinc/16/20/95/570162095.db2.gz	YQCCJEBPWFQFHI-KGENOOAVSA-N	-2	0	473.554	4.186	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)C1=O	ZINC000409223998	570175409	/nfs/dbraw/zinc/17/54/09/570175409.db2.gz	GZLXIXGTDHAANM-DEDYPNTBSA-N	-2	0	487.512	4.166	40	10		JICBRL
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000409229818	570177238	/nfs/dbraw/zinc/17/72/38/570177238.db2.gz	VKGXSWJINOSRGY-WJDWOHSUSA-N	-2	0	466.902	4.438	40	10		JICBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000409233288	570178664	/nfs/dbraw/zinc/17/86/64/570178664.db2.gz	FGUBRZGBBQUPSQ-LDADJPATSA-N	-2	0	485.443	4.026	40	10		JICBRL
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000012446204	525287434	/nfs/dbraw/zinc/28/74/34/525287434.db2.gz	MIYPDJUSRAYWCW-REHUZNOOSA-N	-2	0	476.558	4.419	40	10		JICBRL
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)cc1	ZINC000095925753	569730361	/nfs/dbraw/zinc/73/03/61/569730361.db2.gz	KPERDOZNBICUAQ-DEDYPNTBSA-N	-2	0	460.511	4.347	40	10		JICBRL
Cc1cc(C)c(NN=C2c3ccc(S(=O)(=O)[O-])cc3C=C(S(=O)(=O)[O-])C2=O)cc1C	ZINC000102262487	569811627	/nfs/dbraw/zinc/81/16/27/569811627.db2.gz	OQQYJPVCDFFEIV-MRCUWXFGSA-N	-2	0	450.494	4.379	40	10		JICBRL
Cc1cc(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c(N)c(/N=N/c2ccc(S(=O)(=O)[O-])cc2)c1N	ZINC000104388922	569845641	/nfs/dbraw/zinc/84/56/41/569845641.db2.gz	AUPOYHVOSSAUEG-XNMKTSCDSA-N	-2	0	490.523	4.484	40	10		JICBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408692120	570015286	/nfs/dbraw/zinc/01/52/86/570015286.db2.gz	DVGQNTZDUVOJDL-VCHYOVAHSA-N	-2	0	498.919	4.030	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408778000	570040690	/nfs/dbraw/zinc/04/06/90/570040690.db2.gz	NTPMDFMXFGASEE-RGVLZGJSSA-N	-2	0	477.904	4.421	40	10		JICBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C2=O)c1	ZINC000408910434	570072343	/nfs/dbraw/zinc/07/23/43/570072343.db2.gz	KGFCWWNQFDYEOZ-LPYMAVHISA-N	-2	0	487.512	4.166	40	10		JICBRL
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2)c1	ZINC000408938518	570082038	/nfs/dbraw/zinc/08/20/38/570082038.db2.gz	KSFQOUSVCQZGMZ-OEAKJJBVSA-N	-2	0	470.481	4.247	40	10		JICBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)c1	ZINC000408962792	570086512	/nfs/dbraw/zinc/08/65/12/570086512.db2.gz	VCBCEALKGXFGHU-UDWIEESQSA-N	-2	0	460.511	4.401	40	10		JICBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1	ZINC000409107242	570130690	/nfs/dbraw/zinc/13/06/90/570130690.db2.gz	RJTJHGUUWZNHHD-LFIBNONCSA-N	-2	0	470.268	4.149	40	10		JICBRL
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409190668	570161860	/nfs/dbraw/zinc/16/18/60/570161860.db2.gz	UYPOSTMJGAIXPE-DEDYPNTBSA-N	-2	0	460.511	4.157	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000409191174	570162023	/nfs/dbraw/zinc/16/20/23/570162023.db2.gz	UFWAKZPJEAGWDV-LPYMAVHISA-N	-2	0	473.554	4.240	40	10		JICBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21	ZINC000409191402	570162141	/nfs/dbraw/zinc/16/21/41/570162141.db2.gz	GNXHKHJGXUJSBV-ZRRZQRFHSA-N	-2	0	472.284	4.260	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409201498	570165499	/nfs/dbraw/zinc/16/54/99/570165499.db2.gz	NURBVGOUZXJZMT-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000409241123	570182021	/nfs/dbraw/zinc/18/20/21/570182021.db2.gz	RKIUTHYEUZGKIA-LFIBNONCSA-N	-2	0	470.268	4.149	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1C	ZINC000408544056	570192291	/nfs/dbraw/zinc/19/22/91/570192291.db2.gz	ULMZULRNHRYBRU-CIAFOILYSA-N	-2	0	483.480	4.264	40	10		JICBRL
O=C([O-])c1cccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000033766392	569634091	/nfs/dbraw/zinc/63/40/91/569634091.db2.gz	RJAAIYCCAUOWIC-MOSHPQCFSA-N	-2	0	493.313	4.188	40	10		JICBRL
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000035214290	569678376	/nfs/dbraw/zinc/67/83/76/569678376.db2.gz	CNILHLYVQXAVRZ-UDWIEESQSA-N	-2	0	478.888	4.087	40	10		JICBRL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000100535708	569764045	/nfs/dbraw/zinc/76/40/45/569764045.db2.gz	GAINBVXCMRKCDX-BKUYFWCQSA-N	-2	0	496.980	4.266	40	10		JICBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c1	ZINC000215027868	569877136	/nfs/dbraw/zinc/87/71/36/569877136.db2.gz	OUTALTOJADGYLQ-VXLYETTFSA-N	-2	0	494.437	4.488	40	10		JICBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000408693919	570016561	/nfs/dbraw/zinc/01/65/61/570016561.db2.gz	BRLLSJPUARFKQU-VCHYOVAHSA-N	-2	0	498.919	4.030	40	10		JICBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)c1	ZINC000408774273	570039821	/nfs/dbraw/zinc/03/98/21/570039821.db2.gz	UIMYEMBXZQFHEZ-OEAKJJBVSA-N	-2	0	470.481	4.247	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000408786849	570043313	/nfs/dbraw/zinc/04/33/13/570043313.db2.gz	WPDYFXYGJQKXKY-HYARGMPZSA-N	-2	0	486.549	4.412	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408963879	570086929	/nfs/dbraw/zinc/08/69/29/570086929.db2.gz	ANTUFKBSBHXONG-LICLKQGHSA-N	-2	0	497.935	4.416	40	10		JICBRL
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c2)cc1	ZINC000409072493	570118825	/nfs/dbraw/zinc/11/88/25/570118825.db2.gz	CIDDSALYVLXXDS-BKUYFWCQSA-N	-2	0	476.872	4.284	40	10		JICBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1OC	ZINC000409128631	570139179	/nfs/dbraw/zinc/13/91/79/570139179.db2.gz	FXOHKTAUMCBONY-VGOFMYFVSA-N	-2	0	479.316	4.158	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000409131394	570140261	/nfs/dbraw/zinc/14/02/61/570140261.db2.gz	XUTDUTNARGOIQR-XDHOZWIPSA-N	-2	0	460.511	4.401	40	10		JICBRL
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(ccn3[C@@H](C)C(=O)[O-])c2)C1=O	ZINC000409188226	570161076	/nfs/dbraw/zinc/16/10/76/570161076.db2.gz	BWBLJTAJEBCBMI-HNEYUBDGSA-N	-2	0	496.317	4.024	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1Cl	ZINC000409191220	570161940	/nfs/dbraw/zinc/16/19/40/570161940.db2.gz	DPWROUWNLBCPHI-LDADJPATSA-N	-2	0	479.945	4.277	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409191529	570162079	/nfs/dbraw/zinc/16/20/79/570162079.db2.gz	YJLJQCANZPVFJM-GZTJUZNOSA-N	-2	0	452.875	4.130	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409194518	570163129	/nfs/dbraw/zinc/16/31/29/570163129.db2.gz	OMWOMNUGKKTVSL-BOPFTXTBSA-N	-2	0	497.326	4.239	40	10		JICBRL
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1	ZINC000409196492	570163730	/nfs/dbraw/zinc/16/37/30/570163730.db2.gz	ZOESWVCRYZYZSM-HYARGMPZSA-N	-2	0	489.553	4.022	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409214891	570171833	/nfs/dbraw/zinc/17/18/33/570171833.db2.gz	YKRJLUAIADLHCC-YBFXNURJSA-N	-2	0	479.945	4.277	40	10		JICBRL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)o2)cc1	ZINC000409243292	570182992	/nfs/dbraw/zinc/18/29/92/570182992.db2.gz	ZXLMLADYOIXRQC-RVDMUPIBSA-N	-2	0	452.875	4.130	40	10		JICBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)o1	ZINC000001185855	194064276	/nfs/dbraw/zinc/06/42/76/194064276.db2.gz	CLLDKRMIDVGSPA-WQRHYEAKSA-N	-2	0	495.285	4.382	40	10		JICBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)o1	ZINC000059104577	195387976	/nfs/dbraw/zinc/38/79/76/195387976.db2.gz	POJAZXCJMWDQJZ-LICLKQGHSA-N	-2	0	460.398	4.189	40	10		JICBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)[N-]C2=S)c1	ZINC000408777034	570040403	/nfs/dbraw/zinc/04/04/03/570040403.db2.gz	UCRPHQUMKGMHAZ-OEAKJJBVSA-N	-2	0	486.549	4.412	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408779450	570041032	/nfs/dbraw/zinc/04/10/32/570041032.db2.gz	WYGPNTZMQVVQMT-LPYMAVHISA-N	-2	0	457.486	4.076	40	10		JICBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)c1	ZINC000408859991	570057135	/nfs/dbraw/zinc/05/71/35/570057135.db2.gz	WUVAEXVSTUEXGR-UYRXBGFRSA-N	-2	0	490.468	4.109	40	10		JICBRL
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000408961359	570085953	/nfs/dbraw/zinc/08/59/53/570085953.db2.gz	RZUAPHQMHOJNSK-UDWIEESQSA-N	-2	0	492.940	4.449	40	10		JICBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000408964039	570086846	/nfs/dbraw/zinc/08/68/46/570086846.db2.gz	BHDCSOKLIBDGIB-XNTDXEJSSA-N	-2	0	470.865	4.269	40	10		JICBRL
CCN(CC)c1ccc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c(O)c1	ZINC000256081044	570107121	/nfs/dbraw/zinc/10/71/21/570107121.db2.gz	LDQGUZFHJKOWGX-UHFFFAOYSA-N	-3	0	495.535	4.006	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)[N-]C2=S)cc1	ZINC000409188696	570161187	/nfs/dbraw/zinc/16/11/87/570161187.db2.gz	KARNFQXBNXZWEF-XSFVSMFZSA-N	-2	0	460.536	4.367	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)[N-]C2=S)cc1Cl	ZINC000409231357	570177975	/nfs/dbraw/zinc/17/79/75/570177975.db2.gz	CIEQICIIRAMUKO-GZTJUZNOSA-N	-2	0	466.902	4.438	40	10		JICBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000408544072	570192189	/nfs/dbraw/zinc/19/21/89/570192189.db2.gz	UNVVYYKWQNAASH-FYJGNVAPSA-N	-2	0	499.479	4.046	40	10		JICBRL
O=C([O-])c1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1	ZINC000033421047	526342844	/nfs/dbraw/zinc/34/28/44/526342844.db2.gz	DWPVIRDDNVNQPG-NDENLUEZSA-N	-2	0	487.424	4.379	40	10		JICBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009265227	555041087	/nfs/dbraw/zinc/04/10/87/555041087.db2.gz	NLLSTAVCSLOOPA-ZDLGFXPLSA-N	-2	0	497.935	4.416	40	10		JICBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1	ZINC000408756632	570035737	/nfs/dbraw/zinc/03/57/37/570035737.db2.gz	SXEHAPFUMFKDKN-GZTJUZNOSA-N	-2	0	450.834	4.273	40	10		JICBRL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)cc2)c1	ZINC000408775893	570040253	/nfs/dbraw/zinc/04/02/53/570040253.db2.gz	SQIBYWNTHPDEIK-CIAFOILYSA-N	-2	0	492.940	4.449	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408790646	570043857	/nfs/dbraw/zinc/04/38/57/570043857.db2.gz	TXTVIYCPXHPKJD-UDWIEESQSA-N	-2	0	477.904	4.421	40	10		JICBRL
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C(=O)[N-]C2=S)cc1	ZINC000408908174	570071423	/nfs/dbraw/zinc/07/14/23/570071423.db2.gz	BKFYBGIWUULMTA-HYARGMPZSA-N	-2	0	487.581	4.494	40	10		JICBRL
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408946467	570083551	/nfs/dbraw/zinc/08/35/51/570083551.db2.gz	AIEPHQZKKLBWRS-UFFVCSGVSA-N	-2	0	487.512	4.435	40	10		JICBRL
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000408956782	570084953	/nfs/dbraw/zinc/08/49/53/570084953.db2.gz	YKPFDXMENKOCMA-SSDVNMTOSA-N	-2	0	487.512	4.435	40	10		JICBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000409103452	570129214	/nfs/dbraw/zinc/12/92/14/570129214.db2.gz	HAVIRWQIFZJCKX-MHWRWJLKSA-N	-2	0	486.336	4.314	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409123692	570136880	/nfs/dbraw/zinc/13/68/80/570136880.db2.gz	ICZVAKPJNVFJKF-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000409188092	570161085	/nfs/dbraw/zinc/16/10/85/570161085.db2.gz	AEDZYBGOYCXJOL-LPYMAVHISA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)SC1=S	ZINC000409196687	570163713	/nfs/dbraw/zinc/16/37/13/570163713.db2.gz	XZKFNYIHMWPCFZ-VCHYOVAHSA-N	-2	0	468.512	4.299	40	10		JICBRL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)o2)c1	ZINC000409232233	570178303	/nfs/dbraw/zinc/17/83/03/570178303.db2.gz	PGBLVIKZGKOJKD-PTNGSMBKSA-N	-2	0	452.875	4.130	40	10		JICBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000408543715	570192264	/nfs/dbraw/zinc/19/22/64/570192264.db2.gz	QKRDBKBNSAFGSC-CIAFOILYSA-N	-2	0	499.548	4.429	40	10		JICBRL
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)c2=O)cc1	ZINC000020286501	555755134	/nfs/dbraw/zinc/75/51/34/555755134.db2.gz	ODGLMAJXADOEKH-JWGURIENSA-N	-2	0	495.561	4.209	40	10		JICBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)c1	ZINC000408777340	570040547	/nfs/dbraw/zinc/04/05/47/570040547.db2.gz	YXCKYKQOPAIBIK-OEAKJJBVSA-N	-2	0	470.481	4.247	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408848744	570055133	/nfs/dbraw/zinc/05/51/33/570055133.db2.gz	SIPCJXJZZLUGDK-LPYMAVHISA-N	-2	0	457.486	4.076	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408910425	570072304	/nfs/dbraw/zinc/07/23/04/570072304.db2.gz	KFKRMCPWXSNUQZ-FYJGNVAPSA-N	-2	0	471.513	4.384	40	10		JICBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408960494	570085699	/nfs/dbraw/zinc/08/56/99/570085699.db2.gz	MGQJGLBEOMTFJW-HYARGMPZSA-N	-2	0	486.480	4.029	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Cl)c3[O-])C2=O)cc1Cl	ZINC000408988903	570093388	/nfs/dbraw/zinc/09/33/88/570093388.db2.gz	SBQJZZPVWUFTMP-LFYBBSHMSA-N	-2	0	470.106	4.436	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1C	ZINC000409070504	570118061	/nfs/dbraw/zinc/11/80/61/570118061.db2.gz	YQYKGTPUWKQCSV-UCQKPKSFSA-N	-2	0	470.481	4.247	40	10		JICBRL
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C(=O)[N-]C2=S)c1	ZINC000409199843	570164801	/nfs/dbraw/zinc/16/48/01/570164801.db2.gz	FDSRVFDOWKJPBV-FYJGNVAPSA-N	-2	0	489.553	4.022	40	10		JICBRL
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C(=O)[N-]C1=S	ZINC000409201699	570165550	/nfs/dbraw/zinc/16/55/50/570165550.db2.gz	NLNLGCUNANLUKM-XSFVSMFZSA-N	-2	0	473.554	4.186	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1Cl	ZINC000409241519	570182127	/nfs/dbraw/zinc/18/21/27/570182127.db2.gz	YBFGDSDHZPLADB-GZTJUZNOSA-N	-2	0	466.902	4.438	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000095925750	569730379	/nfs/dbraw/zinc/73/03/79/569730379.db2.gz	BFKGTVZVIGKVDR-YBFXNURJSA-N	-2	0	479.945	4.277	40	10		JICBRL
O=C1c2ncccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc2cc(S(=O)(=O)[O-])ccc2c1	ZINC000100132978	569753419	/nfs/dbraw/zinc/75/34/19/569753419.db2.gz	XGMFVZOKHBRUTL-DQRAZIAOSA-N	-2	0	459.461	4.002	40	10	in-vitro	JICBRL
CCN(CC)c1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000100495818	569762169	/nfs/dbraw/zinc/76/21/69/569762169.db2.gz	OTSPYZDKVBQITH-QURGRASLSA-N	-2	0	495.535	4.006	40	10		JICBRL
Nc1c(/N=N\c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000104344399	569845143	/nfs/dbraw/zinc/84/51/43/569845143.db2.gz	BQXIJMZYHOOACT-FCQUAONHSA-N	-2	0	489.560	4.341	40	10		JICBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000107589372	569856629	/nfs/dbraw/zinc/85/66/29/569856629.db2.gz	XIVKMWVUHOMANO-NDENLUEZSA-N	-2	0	492.915	4.477	40	10		JICBRL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1	ZINC000408768200	570038348	/nfs/dbraw/zinc/03/83/48/570038348.db2.gz	CTYQJTAHVGXFMU-FYJGNVAPSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408778243	570040823	/nfs/dbraw/zinc/04/08/23/570040823.db2.gz	CJHNUCPBXFSRIZ-WSDLNYQXSA-N	-2	0	471.513	4.384	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408779172	570040975	/nfs/dbraw/zinc/04/09/75/570040975.db2.gz	BIBXBDIQCJMERX-CIAFOILYSA-N	-2	0	457.486	4.076	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408844410	570054205	/nfs/dbraw/zinc/05/42/05/570054205.db2.gz	IGVGHNNSCQYRTB-WSDLNYQXSA-N	-2	0	471.513	4.384	40	10		JICBRL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1	ZINC000408967007	570087738	/nfs/dbraw/zinc/08/77/38/570087738.db2.gz	PEDZVTYTTWAOHW-GDNBJRDFSA-N	-2	0	470.865	4.269	40	10		JICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000408990270	570093811	/nfs/dbraw/zinc/09/38/11/570093811.db2.gz	WPVYJIKFZKNZBR-HMAPJEAMSA-N	-2	0	457.486	4.021	40	10		JICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1	ZINC000408990612	570093972	/nfs/dbraw/zinc/09/39/72/570093972.db2.gz	XPNHQNHIYJNXTE-QPEQYQDCSA-N	-2	0	494.139	4.146	40	10		JICBRL
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)c2)cc1	ZINC000409068498	570117312	/nfs/dbraw/zinc/11/73/12/570117312.db2.gz	RRBCERRVBUZUHC-MTJSOVHGSA-N	-2	0	476.872	4.284	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000409190406	570161688	/nfs/dbraw/zinc/16/16/88/570161688.db2.gz	YNPUSOMYQSROSX-MHWRWJLKSA-N	-2	0	497.872	4.038	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000409224426	570175568	/nfs/dbraw/zinc/17/55/68/570175568.db2.gz	HPCNYDAWKVCWJB-QGOAFFKASA-N	-2	0	460.442	4.018	40	10		JICBRL
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N1C(=O)/C(=C/c2ccccc2Cl)N=C1c1ccccc1	ZINC000008892948	554781363	/nfs/dbraw/zinc/78/13/63/554781363.db2.gz	POQQILIJMMTKCQ-UNOMPAQXSA-N	-2	0	482.901	4.119	40	10		JICBRL
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104225880	569843390	/nfs/dbraw/zinc/84/33/90/569843390.db2.gz	SDGXNXPUMOPSLD-DDJBQFQUSA-N	-2	0	496.936	4.047	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1	ZINC000408940671	570082540	/nfs/dbraw/zinc/08/25/40/570082540.db2.gz	OLADJUBORIRZTB-YBFXNURJSA-N	-2	0	494.862	4.423	40	10		JICBRL
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S	ZINC000409173663	570155795	/nfs/dbraw/zinc/15/57/95/570155795.db2.gz	NYCRZEUQRYEMSE-RVDMUPIBSA-N	-2	0	482.901	4.138	40	10		JICBRL
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000409189182	570161397	/nfs/dbraw/zinc/16/13/97/570161397.db2.gz	DZWCDOAMEGUXTP-HMHNVIDESA-N	-2	0	458.923	4.047	40	10		JICBRL
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C(=O)[N-]C2=S)cc1	ZINC000409207951	570167973	/nfs/dbraw/zinc/16/79/73/570167973.db2.gz	DGLOOISUESYCSE-KGENOOAVSA-N	-2	0	489.553	4.022	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000059104139	195387673	/nfs/dbraw/zinc/38/76/73/195387673.db2.gz	PHBNFLJQSUVVNH-VXLYETTFSA-N	-2	0	473.441	4.028	40	10		JICBRL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000083327240	569708694	/nfs/dbraw/zinc/70/86/94/569708694.db2.gz	FOQQXDNNDMZMQP-WUXMJOGZSA-N	-2	0	466.631	4.223	40	10		JICBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)c1C	ZINC000408959969	570085399	/nfs/dbraw/zinc/08/53/99/570085399.db2.gz	BEPGBHVCFBFJHR-XDHOZWIPSA-N	-2	0	460.511	4.401	40	10		JICBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000408961051	570085906	/nfs/dbraw/zinc/08/59/06/570085906.db2.gz	QKWTUJJOLGGXTL-HYARGMPZSA-N	-2	0	486.549	4.412	40	10		JICBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000408962890	570086646	/nfs/dbraw/zinc/08/66/46/570086646.db2.gz	VQUFAAGOGWSWPU-DEDYPNTBSA-N	-2	0	460.442	4.018	40	10		JICBRL
O=C([O-])c1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1	ZINC000409044447	570108310	/nfs/dbraw/zinc/10/83/10/570108310.db2.gz	CWXQCTKSMNZUCF-NDENLUEZSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000409086202	570123276	/nfs/dbraw/zinc/12/32/76/570123276.db2.gz	GKGGRDQBPVOPDJ-WJDWOHSUSA-N	-2	0	466.902	4.438	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409190938	570161873	/nfs/dbraw/zinc/16/18/73/570161873.db2.gz	BUTYDVDFXGZRQH-GZTJUZNOSA-N	-2	0	486.427	4.495	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)[N-]C2=S)cc1	ZINC000409194441	570163066	/nfs/dbraw/zinc/16/30/66/570163066.db2.gz	LKCXKFSSRVOVTG-LDADJPATSA-N	-2	0	485.443	4.026	40	10		JICBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OC(C)C	ZINC000409194566	570163103	/nfs/dbraw/zinc/16/31/03/570163103.db2.gz	PRSNCLPHSMHXFM-CXUHLZMHSA-N	-2	0	488.949	4.055	40	10		JICBRL
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4cccs4)C3=O)o2)c1	ZINC000409213491	570171145	/nfs/dbraw/zinc/17/11/45/570171145.db2.gz	PETKZQGHDZVNBO-MHWRWJLKSA-N	-2	0	456.526	4.253	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409234897	570179237	/nfs/dbraw/zinc/17/92/37/570179237.db2.gz	AHFWPNMLQNNZHS-XDHOZWIPSA-N	-2	0	477.904	4.421	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)C1=O	ZINC000409250802	570185762	/nfs/dbraw/zinc/18/57/62/570185762.db2.gz	SGOBJUZZKLXBFN-XSFVSMFZSA-N	-2	0	487.512	4.166	40	10		JICBRL
CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000408545196	570192692	/nfs/dbraw/zinc/19/26/92/570192692.db2.gz	ZUFMJYPZFANETI-FYJGNVAPSA-N	-2	0	499.548	4.375	40	10		JICBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000001186475	524190528	/nfs/dbraw/zinc/19/05/28/524190528.db2.gz	MXZRIRPUFHVWCU-WQRHYEAKSA-N	-2	0	495.285	4.382	40	10		JICBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)ccc1Br	ZINC000004482526	554477751	/nfs/dbraw/zinc/47/77/51/554477751.db2.gz	KGJVAEHXNMFEHJ-GZTJUZNOSA-N	-2	0	495.285	4.382	40	10		JICBRL
O=C1c2ncccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc2cc(S(=O)(=O)[O-])ccc2c1	ZINC000012405220	555976471	/nfs/dbraw/zinc/97/64/71/555976471.db2.gz	XGMFVZOKHBRUTL-UHFFFAOYSA-N	-2	0	459.461	4.002	40	10		JICBRL
Cc1cc([O-])c(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000026786904	556263309	/nfs/dbraw/zinc/26/33/09/556263309.db2.gz	IDDQECJUNGCEEC-UHFFFAOYSA-N	-2	0	496.950	4.204	40	10		JICBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)ccc1Br	ZINC000408759358	570036436	/nfs/dbraw/zinc/03/64/36/570036436.db2.gz	CRUWAMDBFCOCLT-BOPFTXTBSA-N	-2	0	495.285	4.382	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408771161	570038877	/nfs/dbraw/zinc/03/88/77/570038877.db2.gz	DCOGJYXNHCARJF-RGVLZGJSSA-N	-2	0	477.904	4.421	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408788026	570043602	/nfs/dbraw/zinc/04/36/02/570043602.db2.gz	CIIMZOHUWXHEHY-YBFXNURJSA-N	-2	0	477.904	4.421	40	10		JICBRL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000408791206	570043983	/nfs/dbraw/zinc/04/39/83/570043983.db2.gz	WZHHWBDCNOWTHV-WOJGMQOQSA-N	-2	0	450.834	4.273	40	10		JICBRL
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000408948780	570083748	/nfs/dbraw/zinc/08/37/48/570083748.db2.gz	GQYCSNICWGBNSC-SRZZPIQSSA-N	-2	0	487.512	4.435	40	10		JICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C2=O)cc1	ZINC000408981861	570090950	/nfs/dbraw/zinc/09/09/50/570090950.db2.gz	DEFMXNHTMKGGEC-HMAPJEAMSA-N	-2	0	471.513	4.330	40	10		JICBRL
O=C([O-])c1ccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000409045023	570108403	/nfs/dbraw/zinc/10/84/03/570108403.db2.gz	XLSILKZNBMTIKF-AQTBWJFISA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(ccn3[C@H](C)C(=O)[O-])c2)C1=O	ZINC000409188229	570161063	/nfs/dbraw/zinc/16/10/63/570161063.db2.gz	BWBLJTAJEBCBMI-VVBXCHJUSA-N	-2	0	496.317	4.024	40	10		JICBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)ccc21	ZINC000409193625	570162792	/nfs/dbraw/zinc/16/27/92/570162792.db2.gz	IBWLVPIQQZVKKN-BTAWCLGRSA-N	-2	0	472.284	4.260	40	10		JICBRL
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)c1	ZINC000409221851	570174783	/nfs/dbraw/zinc/17/47/83/570174783.db2.gz	VKCFQHSRUJCERU-XDHOZWIPSA-N	-2	0	460.511	4.401	40	10		JICBRL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	ZINC000009884820	195013909	/nfs/dbraw/zinc/01/39/09/195013909.db2.gz	MVRUWJIMYXOZGV-XXLSNGBASA-N	-2	0	472.327	4.383	40	10		JICBRL
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1[O-]	ZINC000016427981	527048142	/nfs/dbraw/zinc/04/81/42/527048142.db2.gz	JOCMOGYUUXLFTN-SDQBBNPISA-N	-2	0	456.079	4.128	40	10		JICBRL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000040564461	527593927	/nfs/dbraw/zinc/59/39/27/527593927.db2.gz	CAJMHRGWSYOYGC-GRRFOWRYSA-N	-2	0	485.461	4.485	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000014132923	555700570	/nfs/dbraw/zinc/70/05/70/555700570.db2.gz	RKEFYGQYXSEVQX-YBFXNURJSA-N	-2	0	477.904	4.421	40	10		JICBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000016216917	556129824	/nfs/dbraw/zinc/12/98/24/556129824.db2.gz	OLBBIYHSQCOBGD-UDWIEESQSA-N	-2	0	485.452	4.496	40	10		JICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1	ZINC000059533521	569606549	/nfs/dbraw/zinc/60/65/49/569606549.db2.gz	HYVCYOTWRNUUNC-HAHDFKILSA-N	-2	0	470.481	4.193	40	10		JICBRL
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)c([O-])c(Br)c1	ZINC000038188485	569800490	/nfs/dbraw/zinc/80/04/90/569800490.db2.gz	ZBSCHXMOBIUDEP-ONNFQVAWSA-N	-2	0	470.073	4.013	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408939880	570082336	/nfs/dbraw/zinc/08/23/36/570082336.db2.gz	ISUUUHITXIYKNU-RGVLZGJSSA-N	-2	0	477.904	4.421	40	10		JICBRL
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408942850	570082924	/nfs/dbraw/zinc/08/29/24/570082924.db2.gz	QXYIYLFXSIEYSJ-HYARGMPZSA-N	-2	0	470.481	4.247	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408985511	570092060	/nfs/dbraw/zinc/09/20/60/570092060.db2.gz	KVKWBRKKCMEQJK-JAIQZWGSSA-N	-2	0	477.904	4.421	40	10		JICBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21	ZINC000409188964	570161237	/nfs/dbraw/zinc/16/12/37/570161237.db2.gz	LPMRGLYJCYSBHJ-BTAWCLGRSA-N	-2	0	488.352	4.425	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000409228109	570176410	/nfs/dbraw/zinc/17/64/10/570176410.db2.gz	UEDMRKQTXHLRRA-FOWTUZBSSA-N	-2	0	480.860	4.363	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)[N-]C2=S)cc1C	ZINC000408541747	570191770	/nfs/dbraw/zinc/19/17/70/570191770.db2.gz	HLVILSQSZVWTLQ-CIAFOILYSA-N	-2	0	499.548	4.429	40	10		JICBRL
Nc1c(/N=N/c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000004522194	194391659	/nfs/dbraw/zinc/39/16/59/194391659.db2.gz	BQXIJMZYHOOACT-GHVJWSGMSA-N	-2	0	489.560	4.341	40	10		JICBRL
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000012446200	525288228	/nfs/dbraw/zinc/28/82/28/525288228.db2.gz	MIYPDJUSRAYWCW-NMMYMHLASA-N	-2	0	476.558	4.419	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1Cl	ZINC000033931775	569638007	/nfs/dbraw/zinc/63/80/07/569638007.db2.gz	HGSUBUKWNDKVMP-GZTJUZNOSA-N	-2	0	450.834	4.477	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1C	ZINC000408773025	570039335	/nfs/dbraw/zinc/03/93/35/570039335.db2.gz	OSBKQPDBUJEROE-OEAKJJBVSA-N	-2	0	470.481	4.247	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408845302	570054445	/nfs/dbraw/zinc/05/44/45/570054445.db2.gz	FXVBVGRRGLEAIL-FYJGNVAPSA-N	-2	0	457.486	4.076	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408846251	570054632	/nfs/dbraw/zinc/05/46/32/570054632.db2.gz	HYBFSRWDBNVKFR-YBFXNURJSA-N	-2	0	477.904	4.421	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1	ZINC000408945859	570083508	/nfs/dbraw/zinc/08/35/08/570083508.db2.gz	XOXLFAGMSIQSIA-FYJGNVAPSA-N	-2	0	476.872	4.284	40	10		JICBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000409097876	570127328	/nfs/dbraw/zinc/12/73/28/570127328.db2.gz	OSNFRROLFLYXTP-MHWRWJLKSA-N	-2	0	470.268	4.149	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1Cl	ZINC000409222049	570174881	/nfs/dbraw/zinc/17/48/81/570174881.db2.gz	BPEHSAGPNYRSDT-BOPFTXTBSA-N	-2	0	466.902	4.438	40	10		JICBRL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786819	556262816	/nfs/dbraw/zinc/26/28/16/556262816.db2.gz	DIFMQFBDNIYZEI-UHFFFAOYSA-N	-2	0	496.950	4.204	40	10		JICBRL
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000109042006	569860432	/nfs/dbraw/zinc/86/04/32/569860432.db2.gz	DYULJNXSMQUIQA-NDENLUEZSA-N	-2	0	478.888	4.087	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	ZINC000408940670	570082573	/nfs/dbraw/zinc/08/25/73/570082573.db2.gz	OKSNTHYRLDQLTJ-FYJGNVAPSA-N	-2	0	476.872	4.284	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409190614	570161737	/nfs/dbraw/zinc/16/17/37/570161737.db2.gz	SXRQGCBCOAQDPN-GZTJUZNOSA-N	-2	0	452.875	4.130	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1c(C)cccc1C	ZINC000409192274	570162426	/nfs/dbraw/zinc/16/24/26/570162426.db2.gz	AKPROLIBZAPJLA-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000409221088	570174431	/nfs/dbraw/zinc/17/44/31/570174431.db2.gz	KSMDQLXVDRONQX-RVDMUPIBSA-N	-2	0	452.875	4.130	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000409243915	570183214	/nfs/dbraw/zinc/18/32/14/570183214.db2.gz	YXSMLJBBKBQEDK-FOWTUZBSSA-N	-2	0	480.860	4.363	40	10		JICBRL
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000408541487	570191595	/nfs/dbraw/zinc/19/15/95/570191595.db2.gz	GMBNWTFMDCMKIB-UDWIEESQSA-N	-2	0	485.521	4.121	40	10		JICBRL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000059136294	195391525	/nfs/dbraw/zinc/39/15/25/195391525.db2.gz	ZPXLWRVMILMQHL-KPKJPENVSA-N	-2	0	478.885	4.013	40	10		JICBRL
Cc1c(Br)c([O-])c(Br)c(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000016779914	525523575	/nfs/dbraw/zinc/52/35/75/525523575.db2.gz	WRHHJXQPMIZAGA-UHFFFAOYSA-N	-2	0	480.134	4.243	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(O)cc1	ZINC000016268430	526087274	/nfs/dbraw/zinc/08/72/74/526087274.db2.gz	NCLYAYZHALLQSO-UDWIEESQSA-N	-2	0	461.499	4.170	40	10		JICBRL
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000009311138	555087486	/nfs/dbraw/zinc/08/74/86/555087486.db2.gz	NSRSKRPWSRSHFK-CHHVJCJISA-N	-2	0	477.300	4.247	40	10		JICBRL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000009323201	555096284	/nfs/dbraw/zinc/09/62/84/555096284.db2.gz	DWKZRTPCYIDRMM-WJDWOHSUSA-N	-2	0	466.902	4.438	40	10		JICBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000009323474	555096514	/nfs/dbraw/zinc/09/65/14/555096514.db2.gz	WMEWJWKXVPAAJK-MOSHPQCFSA-N	-2	0	460.442	4.018	40	10		JICBRL
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1	ZINC000034761074	569657840	/nfs/dbraw/zinc/65/78/40/569657840.db2.gz	BJUSZFBLMXTCOX-HAHDFKILSA-N	-2	0	484.508	4.162	40	10		JICBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000408844461	570054255	/nfs/dbraw/zinc/05/42/55/570054255.db2.gz	JEXYCUNLFDPLMD-CPNJWEJPSA-N	-2	0	460.511	4.347	40	10		JICBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000408932162	570080424	/nfs/dbraw/zinc/08/04/24/570080424.db2.gz	BHGOHLWXVJUJNY-RVDMUPIBSA-N	-2	0	486.336	4.314	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1	ZINC000408936579	570081553	/nfs/dbraw/zinc/08/15/53/570081553.db2.gz	GTDJJNQFPODJFB-DEDYPNTBSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408953426	570084447	/nfs/dbraw/zinc/08/44/47/570084447.db2.gz	WIMHZAIQXTUMIW-LICLKQGHSA-N	-2	0	481.867	4.251	40	10		JICBRL
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000408959860	570085384	/nfs/dbraw/zinc/08/53/84/570085384.db2.gz	HCXIXZSLMGNIAA-XSFVSMFZSA-N	-2	0	472.522	4.104	40	10		JICBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408961707	570086193	/nfs/dbraw/zinc/08/61/93/570086193.db2.gz	UUNXWAVIVVSTMP-PXLXIMEGSA-N	-2	0	486.480	4.029	40	10		JICBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1	ZINC000409070680	570118089	/nfs/dbraw/zinc/11/80/89/570118089.db2.gz	OLWNNKFFJXVCDI-XDHOZWIPSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)[N-]C2=S)c1C	ZINC000409145515	570146605	/nfs/dbraw/zinc/14/66/05/570146605.db2.gz	QBXYSHZODZHOBJ-XDHOZWIPSA-N	-2	0	460.511	4.401	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C)cc1C	ZINC000409195176	570163323	/nfs/dbraw/zinc/16/33/23/570163323.db2.gz	RYAUZFNIPTXFCQ-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409215249	570172062	/nfs/dbraw/zinc/17/20/62/570172062.db2.gz	WBUYIPTVYFWSFV-DEDYPNTBSA-N	-2	0	473.554	4.240	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000409233274	570178691	/nfs/dbraw/zinc/17/86/91/570178691.db2.gz	FERULZRFLWACFV-QGOAFFKASA-N	-2	0	460.442	4.018	40	10		JICBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1=O	ZINC000409233751	570178809	/nfs/dbraw/zinc/17/88/09/570178809.db2.gz	WQPUZPWJHKPHIO-LFIBNONCSA-N	-2	0	450.834	4.273	40	10		JICBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C1=O	ZINC000408544552	570192498	/nfs/dbraw/zinc/19/24/98/570192498.db2.gz	URXDGCILCHHWKH-DEDYPNTBSA-N	-2	0	483.480	4.210	40	10		JICBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009264439	555039381	/nfs/dbraw/zinc/03/93/81/555039381.db2.gz	NYHYHCXVJZBHHX-PDGQHHTCSA-N	-2	0	479.945	4.277	40	10		JICBRL
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000020286504	555755172	/nfs/dbraw/zinc/75/51/72/555755172.db2.gz	YOHJDTVANXGBKL-QNGOZBTKSA-N	-2	0	483.525	4.340	40	10		JICBRL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000028166576	556316130	/nfs/dbraw/zinc/31/61/30/556316130.db2.gz	KUFORZNNCJMZLU-CWZJEYLYSA-N	-2	0	471.434	4.095	40	10		JICBRL
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000103526673	569835697	/nfs/dbraw/zinc/83/56/97/569835697.db2.gz	LATJKRVDFVQKMS-LTGZKZEYSA-N	-2	0	465.535	4.201	40	10		JICBRL
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104225870	569843339	/nfs/dbraw/zinc/84/33/39/569843339.db2.gz	SDGXNXPUMOPSLD-ZELGORGJSA-N	-2	0	496.936	4.047	40	10		JICBRL
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104225885	569843349	/nfs/dbraw/zinc/84/33/49/569843349.db2.gz	SDGXNXPUMOPSLD-QTJUSOIVSA-N	-2	0	496.936	4.047	40	10		JICBRL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c1	ZINC000408783138	570042229	/nfs/dbraw/zinc/04/22/29/570042229.db2.gz	LIFJHFNBBWTKRY-FYJGNVAPSA-N	-2	0	492.940	4.449	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408915811	570075369	/nfs/dbraw/zinc/07/53/69/570075369.db2.gz	ZGUKOBXYTYQBQT-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)cc1	ZINC000408959977	570085333	/nfs/dbraw/zinc/08/53/33/570085333.db2.gz	BJOIGWQVAGWUFF-DEDYPNTBSA-N	-2	0	476.510	4.183	40	10		JICBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c1	ZINC000408960154	570085557	/nfs/dbraw/zinc/08/55/57/570085557.db2.gz	COKBQSKJURJDCA-DEDYPNTBSA-N	-2	0	460.442	4.018	40	10		JICBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000408961887	570086286	/nfs/dbraw/zinc/08/62/86/570086286.db2.gz	PFYAZQXWUBEXPJ-WOJGMQOQSA-N	-2	0	450.834	4.273	40	10		JICBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1	ZINC000409048211	570109220	/nfs/dbraw/zinc/10/92/20/570109220.db2.gz	RKRBNVDFMGNUAK-JCMHNJIXSA-N	-2	0	486.480	4.029	40	10		JICBRL
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)c2)cc1	ZINC000409064993	570115915	/nfs/dbraw/zinc/11/59/15/570115915.db2.gz	JWKVUDDXBSKFDT-UYRXBGFRSA-N	-2	0	476.872	4.284	40	10		JICBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000409066758	570116641	/nfs/dbraw/zinc/11/66/41/570116641.db2.gz	CMBNNJMLTDUQFX-VZUCSPMQSA-N	-2	0	483.691	4.085	40	10		JICBRL
O=C1c2ncccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000257351681	570153339	/nfs/dbraw/zinc/15/33/39/570153339.db2.gz	GNOVKNAMSGDHAT-UHFFFAOYSA-N	-2	0	459.461	4.002	40	10		JICBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21	ZINC000409188965	570161267	/nfs/dbraw/zinc/16/12/67/570161267.db2.gz	LPMRGLYJCYSBHJ-ZRRZQRFHSA-N	-2	0	488.352	4.425	40	10		JICBRL
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)cc1	ZINC000409191833	570162251	/nfs/dbraw/zinc/16/22/51/570162251.db2.gz	OJQXEANHQIXVRL-LDADJPATSA-N	-2	0	464.524	4.269	40	10		JICBRL
O=C1c2c(O)cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1cccc2ccccc21	ZINC000261143437	570167278	/nfs/dbraw/zinc/16/72/78/570167278.db2.gz	NMBIMCYCRFBUAF-UHFFFAOYSA-N	-2	0	474.472	4.313	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409215942	570172448	/nfs/dbraw/zinc/17/24/48/570172448.db2.gz	CGYKCXPXHAMJEY-YBFXNURJSA-N	-2	0	463.877	4.112	40	10		JICBRL
CCN(CC)c1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000025694223	556230501	/nfs/dbraw/zinc/23/05/01/556230501.db2.gz	OTSPYZDKVBQITH-DQRAZIAOSA-N	-2	0	495.535	4.006	40	10		JICBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)c1	ZINC000214448984	569876643	/nfs/dbraw/zinc/87/66/43/569876643.db2.gz	WMOKVJKNCHOPJZ-YBFXNURJSA-N	-2	0	492.465	4.018	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408772820	570039312	/nfs/dbraw/zinc/03/93/12/570039312.db2.gz	IDVNLXZGKKCRJC-XDHOZWIPSA-N	-2	0	463.877	4.112	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408781230	570041558	/nfs/dbraw/zinc/04/15/58/570041558.db2.gz	AVNYNBVEEOJKTF-FYJGNVAPSA-N	-2	0	457.486	4.076	40	10		JICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)cc1	ZINC000408984616	570091852	/nfs/dbraw/zinc/09/18/52/570091852.db2.gz	JIJTUVKLHCVXRI-HMAPJEAMSA-N	-2	0	457.486	4.021	40	10		JICBRL
Cc1cc(C)c(NN=C2c3ccc(S(=O)(=O)[O-])cc3C=C(S(=O)(=O)[O-])C2=O)cc1C	ZINC000256081062	570107115	/nfs/dbraw/zinc/10/71/15/570107115.db2.gz	OQQYJPVCDFFEIV-UHFFFAOYSA-N	-2	0	450.494	4.379	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)[N-]C2=S)cc1	ZINC000409188657	570161173	/nfs/dbraw/zinc/16/11/73/570161173.db2.gz	JHAXKXMCQCELLC-MHWRWJLKSA-N	-2	0	497.872	4.038	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(C)c1C	ZINC000409191734	570162123	/nfs/dbraw/zinc/16/21/23/570162123.db2.gz	LXXXQUFQPJJYEU-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408846034	570054558	/nfs/dbraw/zinc/05/45/58/570054558.db2.gz	OKZKPKZNNUZGEI-RGVLZGJSSA-N	-2	0	477.904	4.421	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)C2=O)cc1	ZINC000408901100	570068538	/nfs/dbraw/zinc/06/85/38/570068538.db2.gz	VNMLQPPYUZBXMO-OEAKJJBVSA-N	-2	0	479.492	4.363	40	10		JICBRL
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408933911	570080868	/nfs/dbraw/zinc/08/08/68/570080868.db2.gz	CDRRRGGJVQVBOB-WOJGMQOQSA-N	-2	0	493.859	4.199	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1	ZINC000408940381	570082480	/nfs/dbraw/zinc/08/24/80/570082480.db2.gz	NWTVWIIDZHJDAP-WOJGMQOQSA-N	-2	0	494.862	4.423	40	10		JICBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000408960470	570085647	/nfs/dbraw/zinc/08/56/47/570085647.db2.gz	LYTIQGNDBQRDDP-WOJGMQOQSA-N	-2	0	466.902	4.438	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000408960455	570085664	/nfs/dbraw/zinc/08/56/64/570085664.db2.gz	LWTJFDXHLMVBSJ-KGENOOAVSA-N	-2	0	472.522	4.104	40	10		JICBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[N-]C1=S	ZINC000408962798	570086467	/nfs/dbraw/zinc/08/64/67/570086467.db2.gz	VDHSGFNBZLGFTA-CPNJWEJPSA-N	-2	0	460.511	4.347	40	10		JICBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C1=O	ZINC000409207807	570167824	/nfs/dbraw/zinc/16/78/24/570167824.db2.gz	AIVIFNMLGUDSEO-XSFVSMFZSA-N	-2	0	457.486	4.021	40	10		JICBRL
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000409242306	570182447	/nfs/dbraw/zinc/18/24/47/570182447.db2.gz	WTDGQDSPDUFRKS-KGENOOAVSA-N	-2	0	459.527	4.130	40	10		JICBRL
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408543136	570191960	/nfs/dbraw/zinc/19/19/60/570191960.db2.gz	PJONZWLAOXUNFG-XDHOZWIPSA-N	-2	0	485.521	4.121	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000009265359	194647845	/nfs/dbraw/zinc/64/78/45/194647845.db2.gz	XYUWSZLPYKSYRW-MOSHPQCFSA-N	-2	0	457.486	4.076	40	10		JICBRL
O=C([O-])COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000059135151	195389510	/nfs/dbraw/zinc/38/95/10/195389510.db2.gz	JUFVNHPHRQCPGL-LFYBBSHMSA-N	-2	0	497.660	4.212	40	10		JICBRL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)c1cccc2cccnc21	ZINC000012112441	555908797	/nfs/dbraw/zinc/90/87/97/555908797.db2.gz	RTNUYTFLYGCNGQ-UHFFFAOYSA-N	-2	0	490.566	4.385	40	10		JICBRL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000028166571	556316015	/nfs/dbraw/zinc/31/60/15/556316015.db2.gz	KUFORZNNCJMZLU-FUEWVNAISA-N	-2	0	471.434	4.095	40	10		JICBRL
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)[N-]C2=S)cc1	ZINC000408772566	570039208	/nfs/dbraw/zinc/03/92/08/570039208.db2.gz	CVOCLDCTLHFBAJ-HZHRSRAPSA-N	-2	0	486.549	4.358	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408912241	570073333	/nfs/dbraw/zinc/07/33/33/570073333.db2.gz	QBWJWKWQMHTLTK-GIJQJNRQSA-N	-2	0	481.867	4.251	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1	ZINC000408943320	570083071	/nfs/dbraw/zinc/08/30/71/570083071.db2.gz	RRWSOVUVDFPMIU-UDWIEESQSA-N	-2	0	494.862	4.423	40	10		JICBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)c1	ZINC000408960921	570085863	/nfs/dbraw/zinc/08/58/63/570085863.db2.gz	JLGFVHXPSIPLSL-DEDYPNTBSA-N	-2	0	476.510	4.183	40	10		JICBRL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	ZINC000408964704	570087124	/nfs/dbraw/zinc/08/71/24/570087124.db2.gz	FGTLCJXHRMLZTA-XNTDXEJSSA-N	-2	0	470.865	4.269	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408989661	570093494	/nfs/dbraw/zinc/09/34/94/570093494.db2.gz	UXHOFKLWFOLSFS-JAIQZWGSSA-N	-2	0	477.904	4.421	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)[N-]C2=S)cc1	ZINC000409188431	570161116	/nfs/dbraw/zinc/16/11/16/570161116.db2.gz	HMZQZLUZEAGNKU-RGEXLXHISA-N	-2	0	460.536	4.367	40	10		JICBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)o1	ZINC000409201475	570165490	/nfs/dbraw/zinc/16/54/90/570165490.db2.gz	NKPVSWQXYJIIMG-YBEGLDIGSA-N	-2	0	456.526	4.253	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000409251208	570185785	/nfs/dbraw/zinc/18/57/85/570185785.db2.gz	OWEFOZZWBZAXSZ-DEDYPNTBSA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009260368	555034626	/nfs/dbraw/zinc/03/46/26/555034626.db2.gz	WPMVJIXDIGBDCC-XKZIYDEJSA-N	-2	0	473.554	4.240	40	10		JICBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000009264443	555039317	/nfs/dbraw/zinc/03/93/17/555039317.db2.gz	TUUXRHRWFDRGOG-PDGQHHTCSA-N	-2	0	479.945	4.277	40	10		JICBRL
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000036034387	569752278	/nfs/dbraw/zinc/75/22/78/569752278.db2.gz	FLRGWAPKGAYXJQ-YBFXNURJSA-N	-2	0	473.441	4.232	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408853777	570056017	/nfs/dbraw/zinc/05/60/17/570056017.db2.gz	RSXOFAHAVSNWOC-LPYMAVHISA-N	-2	0	471.513	4.384	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1C1CCCCC1	ZINC000409187781	570160915	/nfs/dbraw/zinc/16/09/15/570160915.db2.gz	CDPJSXQUPVSCFK-DEDYPNTBSA-N	-2	0	451.548	4.140	40	10		JICBRL
CCOc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1C(C)C	ZINC000409189203	570161388	/nfs/dbraw/zinc/16/13/88/570161388.db2.gz	FNVBXUKCTAGRIV-XDHOZWIPSA-N	-2	0	452.532	4.047	40	10		JICBRL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000409242588	570182606	/nfs/dbraw/zinc/18/26/06/570182606.db2.gz	RQOSAUAWJXVORR-LFIBNONCSA-N	-2	0	466.902	4.438	40	10		JICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000408542041	570191767	/nfs/dbraw/zinc/19/17/67/570191767.db2.gz	JKYRSTDWLQWBGD-FYJGNVAPSA-N	-2	0	483.480	4.210	40	10		JICBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000040564464	569830253	/nfs/dbraw/zinc/83/02/53/569830253.db2.gz	CAJMHRGWSYOYGC-MLJKTZRHSA-N	-2	0	485.461	4.485	40	10		JICBRL
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104225874	569843347	/nfs/dbraw/zinc/84/33/47/569843347.db2.gz	SDGXNXPUMOPSLD-RMBMZXQHSA-N	-2	0	496.936	4.047	40	10		JICBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000107872516	569857726	/nfs/dbraw/zinc/85/77/26/569857726.db2.gz	MSDNXXTVTDUOMR-NDENLUEZSA-N	-2	0	492.915	4.477	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000408752869	570034725	/nfs/dbraw/zinc/03/47/25/570034725.db2.gz	CWDXSVOSHUKEMJ-GZTJUZNOSA-N	-2	0	466.902	4.438	40	10		JICBRL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S	ZINC000408753418	570034925	/nfs/dbraw/zinc/03/49/25/570034925.db2.gz	MQPFPMCKNCUELU-LFIBNONCSA-N	-2	0	466.902	4.438	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408772805	570039353	/nfs/dbraw/zinc/03/93/53/570039353.db2.gz	IBORYJRADUFLDS-FYJGNVAPSA-N	-2	0	457.486	4.076	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408849745	570055290	/nfs/dbraw/zinc/05/52/90/570055290.db2.gz	YHGQMPUEUPYFGD-LPYMAVHISA-N	-2	0	471.513	4.384	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1C	ZINC000408853119	570055913	/nfs/dbraw/zinc/05/59/13/570055913.db2.gz	YSRKFOWPRANKTR-AWNIVKPZSA-N	-2	0	494.139	4.200	40	10		JICBRL
O=C([O-])c1cccc(Cn2cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1	ZINC000408917661	570075918	/nfs/dbraw/zinc/07/59/18/570075918.db2.gz	ZMLTWWKFJDSJOZ-XKZIYDEJSA-N	-2	0	499.523	4.358	40	10		JICBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc4ccccc4n3Cc3ccccc3F)C2=O)cc1	ZINC000408933589	570080789	/nfs/dbraw/zinc/08/07/89/570080789.db2.gz	AZIJVDZNDKQALD-KGENOOAVSA-N	-2	0	483.455	4.193	40	10		JICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000408961909	570086322	/nfs/dbraw/zinc/08/63/22/570086322.db2.gz	PHNJOEYCJJPXHX-XDHOZWIPSA-N	-2	0	460.511	4.401	40	10		JICBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000408962173	570086351	/nfs/dbraw/zinc/08/63/51/570086351.db2.gz	WXHUQZBSVGCKMB-KGENOOAVSA-N	-2	0	470.481	4.247	40	10		JICBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)[N-]C2=S)c1	ZINC000409012460	570099950	/nfs/dbraw/zinc/09/99/50/570099950.db2.gz	KFVKVLXSXIVXTE-UDWIEESQSA-N	-2	0	460.511	4.401	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409230796	570177690	/nfs/dbraw/zinc/17/76/90/570177690.db2.gz	GRZVCGDWNVAUGC-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000409242144	570182378	/nfs/dbraw/zinc/18/23/78/570182378.db2.gz	MSDGOIRACHTCME-VBKFSLOCSA-N	-2	0	480.860	4.363	40	10		JICBRL
CCc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408542636	570191866	/nfs/dbraw/zinc/19/18/66/570191866.db2.gz	MSLCKTRNJUMYGT-DEDYPNTBSA-N	-2	0	499.548	4.375	40	10		JICBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1	ZINC000009263174	555037740	/nfs/dbraw/zinc/03/77/40/555037740.db2.gz	BOWUNTUMNPGHIU-PDGQHHTCSA-N	-2	0	480.860	4.363	40	10		JICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1	ZINC000408761126	570036902	/nfs/dbraw/zinc/03/69/02/570036902.db2.gz	CCMPQWLMCOYENO-GZTJUZNOSA-N	-2	0	450.834	4.273	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408772974	570039319	/nfs/dbraw/zinc/03/93/19/570039319.db2.gz	OMPWRHJSSRPJDJ-UDWIEESQSA-N	-2	0	463.877	4.112	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408783393	570042330	/nfs/dbraw/zinc/04/23/30/570042330.db2.gz	KYPIHXUAKQTZFF-FYJGNVAPSA-N	-2	0	457.486	4.076	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408784738	570042626	/nfs/dbraw/zinc/04/26/26/570042626.db2.gz	WYZVFMFZKQRRJA-LPYMAVHISA-N	-2	0	471.513	4.384	40	10		JICBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000408932270	570080458	/nfs/dbraw/zinc/08/04/58/570080458.db2.gz	VFIUGMDFMKCCFH-RVDMUPIBSA-N	-2	0	470.268	4.149	40	10		JICBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc(C)ccc1C	ZINC000409190544	570161696	/nfs/dbraw/zinc/16/16/96/570161696.db2.gz	ZEYXTKLEBQAUOB-FYJGNVAPSA-N	-2	0	473.554	4.240	40	10		JICBRL
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C(=O)[N-]C2=S)cc1	ZINC000409200972	570165272	/nfs/dbraw/zinc/16/52/72/570165272.db2.gz	KSVGCXCLRHJSJW-KGENOOAVSA-N	-2	0	473.554	4.186	40	10		JICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409203705	570166639	/nfs/dbraw/zinc/16/66/39/570166639.db2.gz	XJKJXYXDAVSHMY-DEDYPNTBSA-N	-2	0	457.486	4.076	40	10		JICBRL
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000409244676	570183619	/nfs/dbraw/zinc/18/36/19/570183619.db2.gz	HDHTYYQNDAUTFB-KGENOOAVSA-N	-2	0	459.527	4.130	40	10		JICBRL