smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br	ZINC000059136023	195391068	/nfs/dbraw/zinc/39/10/68/195391068.db2.gz	BWMQVWZDZGLWHA-YRNVUSSQSA-N	-2	0	479.283	3.723	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000016195086	521959611	/nfs/dbraw/zinc/95/96/11/521959611.db2.gz	YURSPMNZEXPYQI-XGICHPGQSA-N	-2	0	462.212	3.578	40	10		JHCBRL
O=C1C=C(S(=O)(=O)[O-])C(Cl)=CC1=NNc1ccc2c(cccc2S(=O)(=O)[O-])c1O	ZINC000004261839	527261453	/nfs/dbraw/zinc/26/14/53/527261453.db2.gz	AYHLSSSEVIQUHA-VHEBQXMUSA-N	-2	0	458.857	3.813	40	10		JHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1	ZINC000408740135	570031813	/nfs/dbraw/zinc/03/18/13/570031813.db2.gz	IRHXWWHSDAKINI-WUXMJOGZSA-N	-2	0	496.111	3.592	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1	ZINC000408937115	570081738	/nfs/dbraw/zinc/08/17/38/570081738.db2.gz	HZXRGJOQDULZJE-UDWIEESQSA-N	-2	0	490.443	3.778	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409018702	570102308	/nfs/dbraw/zinc/10/23/08/570102308.db2.gz	XTZAMLCOYMHNOV-JLATVTFTSA-N	-2	0	479.272	3.520	40	10		JHCBRL
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000409070877	570118228	/nfs/dbraw/zinc/11/82/28/570118228.db2.gz	PFVWFMCLOLBHRZ-UUILKARUSA-N	-2	0	469.664	3.777	40	10		JHCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)ccc21	ZINC000409188560	570161179	/nfs/dbraw/zinc/16/11/79/570161179.db2.gz	DGGOQTYSVLNELU-OOIIIRTPSA-N	-2	0	453.907	3.772	40	10		JHCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)ccc21	ZINC000409196508	570163735	/nfs/dbraw/zinc/16/37/35/570163735.db2.gz	ZWLNANNAKLGLCU-PBSOMRJOSA-N	-2	0	482.290	3.716	40	10		JHCBRL
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O	ZINC000409211316	570169882	/nfs/dbraw/zinc/16/98/82/570169882.db2.gz	MXFYOLSSFZXUEX-DTQASYIRSA-N	-2	0	473.459	3.721	40	10		JHCBRL
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000059238482	195395558	/nfs/dbraw/zinc/39/55/58/195395558.db2.gz	JACYDGHOAFGDPQ-KGENOOAVSA-N	-2	0	488.521	3.804	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000015013156	555855153	/nfs/dbraw/zinc/85/51/53/555855153.db2.gz	BLLVRWODXYQSKY-KWZJRMENSA-N	-2	0	454.504	3.836	40	10		JHCBRL
O=C([O-])c1ccc(N=Nc2c(=O)n(C(=O)CC(=O)Nc3ccc(F)cc3)[n-]c2-c2ccccc2)cc1	ZINC000104276005	569844579	/nfs/dbraw/zinc/84/45/79/569844579.db2.gz	CTRQZCVKJVXKSW-CVRGYLICSA-N	-2	0	487.447	3.778	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000207066085	569874791	/nfs/dbraw/zinc/87/47/91/569874791.db2.gz	YURSPMNZEXPYQI-LFYBBSHMSA-N	-2	0	462.212	3.578	40	10		JHCBRL
Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408848627	570055091	/nfs/dbraw/zinc/05/50/91/570055091.db2.gz	RLISPTZFESUXOU-JJFYIABZSA-N	-2	0	487.537	3.878	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408902520	570069456	/nfs/dbraw/zinc/06/94/56/570069456.db2.gz	IXPXRDCAGJOFSI-UDWIEESQSA-N	-2	0	490.443	3.778	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408911649	570073121	/nfs/dbraw/zinc/07/31/21/570073121.db2.gz	AXLXXEYMPDZYCY-DEDYPNTBSA-N	-2	0	459.527	3.932	40	10		JHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1	ZINC000408930703	570079780	/nfs/dbraw/zinc/07/97/80/570079780.db2.gz	AYOVSXUXMAKBFG-XSFVSMFZSA-N	-2	0	489.484	3.639	40	10		JHCBRL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408983931	570091591	/nfs/dbraw/zinc/09/15/91/570091591.db2.gz	ONOXRHCPGHDVFK-NSIKDUERSA-N	-2	0	493.299	3.830	40	10		JHCBRL
O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000409067492	570117054	/nfs/dbraw/zinc/11/70/54/570117054.db2.gz	QZSONUMBFGMNMJ-UDWIEESQSA-N	-2	0	492.871	3.989	40	10		JHCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c1	ZINC000409097833	570127384	/nfs/dbraw/zinc/12/73/84/570127384.db2.gz	ODTSXDRATNJYHJ-LDADJPATSA-N	-2	0	496.342	3.769	40	10		JHCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O)C(=O)[O-]	ZINC000409192866	570162541	/nfs/dbraw/zinc/16/25/41/570162541.db2.gz	GMUWUEDQVSZSMG-LZAIMSLLSA-N	-2	0	465.314	3.677	40	10		JHCBRL
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000409217634	570173241	/nfs/dbraw/zinc/17/32/41/570173241.db2.gz	QYTAWAWIGVXQTF-XDHOZWIPSA-N	-2	0	459.414	3.546	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409240316	570181652	/nfs/dbraw/zinc/18/16/52/570181652.db2.gz	GMSUQDADFRVJCL-SEEODLKFSA-N	-2	0	495.340	3.685	40	10		JHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1	ZINC000100790057	569770059	/nfs/dbraw/zinc/77/00/59/569770059.db2.gz	LSCJCAMSAXFPGW-WHEOYJBGSA-N	-2	0	463.523	3.769	40	10		JHCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-]	ZINC000409189821	570161463	/nfs/dbraw/zinc/16/14/63/570161463.db2.gz	TYMSOHZNRXYOIF-SEEODLKFSA-N	-2	0	465.314	3.677	40	10		JHCBRL
COc1cccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)c1	ZINC000409193756	570162921	/nfs/dbraw/zinc/16/29/21/570162921.db2.gz	LLCJSEVINYFSJY-MTJSOVHGSA-N	-2	0	475.526	3.632	40	10		JHCBRL
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O	ZINC000409211321	570169947	/nfs/dbraw/zinc/16/99/47/570169947.db2.gz	MXFYOLSSFZXUEX-LBFZPMSMSA-N	-2	0	473.459	3.721	40	10		JHCBRL
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4)C3=O)c3ccccc32)o1	ZINC000408541851	570191706	/nfs/dbraw/zinc/19/17/06/570191706.db2.gz	IAEFGVLWLVCLQD-XDHOZWIPSA-N	-2	0	471.494	3.812	40	10		JHCBRL
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)c3ccccc32)o1	ZINC000408544464	570192541	/nfs/dbraw/zinc/19/25/41/570192541.db2.gz	WFJBUNWZJRFHJN-GZTJUZNOSA-N	-2	0	473.416	3.786	40	10		JHCBRL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	ZINC000096306235	130056351	/nfs/dbraw/zinc/05/63/51/130056351.db2.gz	WQGDRKRCERQHGX-KXQKXUNCSA-N	-2	0	482.879	3.637	40	10		JHCBRL
COc1ccc(N2C(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000016216903	524383428	/nfs/dbraw/zinc/38/34/28/524383428.db2.gz	MSFUAERPICVQQV-WUXMJOGZSA-N	-2	0	478.280	3.743	40	10		JHCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1	ZINC000009265509	555041692	/nfs/dbraw/zinc/04/16/92/555041692.db2.gz	SQESOAPZUXJITH-PDGQHHTCSA-N	-2	0	480.274	3.604	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000408902559	570069435	/nfs/dbraw/zinc/06/94/35/570069435.db2.gz	JXLLCBLSLPKLCD-DEDYPNTBSA-N	-2	0	490.443	3.778	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1	ZINC000408942947	570083082	/nfs/dbraw/zinc/08/30/82/570083082.db2.gz	REUNENLUPXOIDH-FYJGNVAPSA-N	-2	0	486.480	3.947	40	10		JHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409055827	570111740	/nfs/dbraw/zinc/11/17/40/570111740.db2.gz	JSKNVSUGLQYKMO-NTUHNPAUSA-N	-2	0	493.299	3.830	40	10		JHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409056422	570111960	/nfs/dbraw/zinc/11/19/60/570111960.db2.gz	MBJKXPQZJAKUQM-MKMNVTDBSA-N	-2	0	493.299	3.830	40	10		JHCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)ccc21	ZINC000409188561	570161204	/nfs/dbraw/zinc/16/12/04/570161204.db2.gz	DGGOQTYSVLNELU-PBSOMRJOSA-N	-2	0	453.907	3.772	40	10		JHCBRL
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000409189474	570161525	/nfs/dbraw/zinc/16/15/25/570161525.db2.gz	GXXPSBFSBTVJPM-NFECSFHCSA-N	-2	0	463.515	3.517	40	10		JHCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000409192551	570162351	/nfs/dbraw/zinc/16/23/51/570162351.db2.gz	YPNZGIARCNELJA-BXUJETTOSA-N	-2	0	463.515	3.517	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(C)c1	ZINC000409196313	570163612	/nfs/dbraw/zinc/16/36/12/570163612.db2.gz	YVQLMGVQGVFHQL-FYJGNVAPSA-N	-2	0	459.527	3.932	40	10		JHCBRL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(C(=O)[O-])c3)C2=O)cc1OCC	ZINC000409209434	570168689	/nfs/dbraw/zinc/16/86/89/570168689.db2.gz	BORZGCJLKOCDJU-QGOAFFKASA-N	-2	0	482.489	3.637	40	10		JHCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])cc(OC)c3[O-])C2=O)c1	ZINC000059104083	195387769	/nfs/dbraw/zinc/38/77/69/195387769.db2.gz	HIRFZJZRUAJFJS-OQLLNIDSSA-N	-2	0	471.422	3.613	40	10		JHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1Cl	ZINC000016312842	556134943	/nfs/dbraw/zinc/13/49/43/556134943.db2.gz	CJQWRIKCHFJSMG-MLPAPPSSSA-N	-2	0	493.697	3.541	40	10		JHCBRL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	ZINC000013073945	556274252	/nfs/dbraw/zinc/27/42/52/556274252.db2.gz	PMVWQSDURRWRQX-CHJAJTDHSA-N	-2	0	482.879	3.637	40	10		JHCBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)s1	ZINC000100789905	569770014	/nfs/dbraw/zinc/77/00/14/569770014.db2.gz	YELXRFXLPAPXNK-SIUCFOQUSA-N	-2	0	455.525	3.522	40	10		JHCBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)s1	ZINC000104090803	569840740	/nfs/dbraw/zinc/84/07/40/569840740.db2.gz	YELXRFXLPAPXNK-NFFVOIMASA-N	-2	0	455.525	3.522	40	10		JHCBRL
Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)[N-]C1=S	ZINC000408744110	570033133	/nfs/dbraw/zinc/03/31/33/570033133.db2.gz	YSENQJYRMARBKI-SDQBBNPISA-N	-2	0	496.726	3.856	40	10		JHCBRL
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000408851570	570055713	/nfs/dbraw/zinc/05/57/13/570055713.db2.gz	CYSGCRLRLPWWGU-UDWIEESQSA-N	-2	0	460.417	3.769	40	10		JHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCC	ZINC000408936405	570081528	/nfs/dbraw/zinc/08/15/28/570081528.db2.gz	GBZXHSYAFPYECU-OQLLNIDSSA-N	-2	0	458.854	3.502	40	10		JHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1	ZINC000409069913	570117799	/nfs/dbraw/zinc/11/77/99/570117799.db2.gz	BNIPEPJNFSGCNW-HYARGMPZSA-N	-2	0	472.453	3.639	40	10		JHCBRL
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409103361	570129188	/nfs/dbraw/zinc/12/91/88/570129188.db2.gz	WECFLKCMAAHWEL-WOJGMQOQSA-N	-2	0	492.509	3.802	40	10		JHCBRL
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[N-]C1=S	ZINC000409168722	570154173	/nfs/dbraw/zinc/15/41/73/570154173.db2.gz	RVZGCGPUECSQOS-CPNJWEJPSA-N	-2	0	475.526	3.632	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)[N-]C2=S)cc1	ZINC000409193319	570162619	/nfs/dbraw/zinc/16/26/19/570162619.db2.gz	IVKQPJBAFNZGRP-LDADJPATSA-N	-2	0	451.891	3.660	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409220675	570174109	/nfs/dbraw/zinc/17/41/09/570174109.db2.gz	DDVSTOAXKNHJPC-SEEODLKFSA-N	-2	0	479.272	3.520	40	10		JHCBRL
Cc1cc([O-])c(S(=O)(=O)c2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000026786870	556262840	/nfs/dbraw/zinc/26/28/40/556262840.db2.gz	OJKZSEKRGXXXDI-UHFFFAOYSA-N	-2	0	482.923	3.896	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408910839	570072553	/nfs/dbraw/zinc/07/25/53/570072553.db2.gz	LJDFGUYTIQXPFE-RGVLZGJSSA-N	-2	0	461.449	3.906	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000408914935	570074910	/nfs/dbraw/zinc/07/49/10/570074910.db2.gz	RXNFCBRDQWSLSG-UDWIEESQSA-N	-2	0	490.443	3.778	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1	ZINC000408942921	570083061	/nfs/dbraw/zinc/08/30/61/570083061.db2.gz	REEZBVDMLWIWEO-FYJGNVAPSA-N	-2	0	460.417	3.769	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409024108	570103888	/nfs/dbraw/zinc/10/38/88/570103888.db2.gz	VVMIBROIZADTQI-RGVLZGJSSA-N	-2	0	463.490	3.763	40	10		JHCBRL
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000059250206	195396164	/nfs/dbraw/zinc/39/61/64/195396164.db2.gz	JDQIVAGNMWZOBN-NTUHNPAUSA-N	-2	0	493.697	3.541	40	10		JHCBRL
Cc1noc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cc2)c1C	ZINC000019419323	452922779	/nfs/dbraw/zinc/92/27/79/452922779.db2.gz	HSHSRLABMKDRNW-UHFFFAOYSA-N	-2	0	492.362	3.905	40	10		JHCBRL
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C(=O)[N-]C2=S)cc1	ZINC000009260332	555034765	/nfs/dbraw/zinc/03/47/65/555034765.db2.gz	GXJCWQGXKHNKTN-BKUYFWCQSA-N	-2	0	475.526	3.632	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059678425	569607411	/nfs/dbraw/zinc/60/74/11/569607411.db2.gz	ZVUPYPXKGZCHFS-DEDYPNTBSA-N	-2	0	488.521	3.804	40	10		JHCBRL
CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000408934463	570081056	/nfs/dbraw/zinc/08/10/56/570081056.db2.gz	AXYROGOLTNDGTN-MHWRWJLKSA-N	-2	0	472.881	3.892	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1	ZINC000408942356	570082921	/nfs/dbraw/zinc/08/29/21/570082921.db2.gz	QKPUJEKGQJESJW-CPNJWEJPSA-N	-2	0	460.417	3.769	40	10		JHCBRL
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)cc1	ZINC000408962406	570086376	/nfs/dbraw/zinc/08/63/76/570086376.db2.gz	RMLJIJLIRJMIRY-XDHOZWIPSA-N	-2	0	462.483	3.793	40	10		JHCBRL
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000409046100	570108629	/nfs/dbraw/zinc/10/86/29/570108629.db2.gz	INDQCVPMQMYCIN-WUXMJOGZSA-N	-2	0	469.664	3.777	40	10		JHCBRL
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000409189472	570161481	/nfs/dbraw/zinc/16/14/81/570161481.db2.gz	GXXPSBFSBTVJPM-ITRAFESCSA-N	-2	0	463.515	3.517	40	10		JHCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)ccc21	ZINC000409192522	570162353	/nfs/dbraw/zinc/16/23/53/570162353.db2.gz	YJAVTUJRJCIYKY-VAKHEIKFSA-N	-2	0	453.907	3.772	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409216496	570172792	/nfs/dbraw/zinc/17/27/92/570172792.db2.gz	LZARLWNYWAMIMH-YBFXNURJSA-N	-2	0	489.440	3.554	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000409237410	570180341	/nfs/dbraw/zinc/18/03/41/570180341.db2.gz	UILDTDHBGDKSLH-GIJQJNRQSA-N	-2	0	464.865	3.507	40	10		JHCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c1	ZINC000409243600	570183119	/nfs/dbraw/zinc/18/31/19/570183119.db2.gz	TYMGVIWGPRXTOJ-FOWTUZBSSA-N	-2	0	451.891	3.660	40	10		JHCBRL
O=C([O-])c1cc2ccccc2c(N=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)[O-])c1O	ZINC000017352434	556259100	/nfs/dbraw/zinc/25/91/00/556259100.db2.gz	ZCGHMFIVQIMDSP-HNENSFHCSA-N	-2	0	462.352	3.722	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020769	570102819	/nfs/dbraw/zinc/10/28/19/570102819.db2.gz	TTWBNVLREUFRFE-MJWAUXSNSA-N	-2	0	479.272	3.520	40	10		JHCBRL
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c2)cc1	ZINC000409075365	570119838	/nfs/dbraw/zinc/11/98/38/570119838.db2.gz	XMPQHHUQVIIKPA-BKUYFWCQSA-N	-2	0	460.417	3.769	40	10		JHCBRL
CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O	ZINC000409210786	570169630	/nfs/dbraw/zinc/16/96/30/570169630.db2.gz	GSPNXVZRZGSXTA-CAOOACKPSA-N	-2	0	473.459	3.579	40	10		JHCBRL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000012381044	555969691	/nfs/dbraw/zinc/96/96/91/555969691.db2.gz	CYSZFYWXGOXELG-BNDQCTAISA-N	-2	0	479.272	3.520	40	10		JHCBRL
CCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000104205722	569843079	/nfs/dbraw/zinc/84/30/79/569843079.db2.gz	YJMLQEMPMUOIKW-NVWMPKGRSA-N	-2	0	457.512	3.937	40	10		JHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c(OC)c1	ZINC000408962895	570086623	/nfs/dbraw/zinc/08/66/23/570086623.db2.gz	VRUSYHOOMNWRHS-WOJGMQOQSA-N	-2	0	476.441	3.637	40	10		JHCBRL
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)cc1	ZINC000409073277	570119094	/nfs/dbraw/zinc/11/90/94/570119094.db2.gz	GREXLSJAHCXYHI-MTJSOVHGSA-N	-2	0	487.424	3.538	40	10		JHCBRL
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)C(=O)[N-]C1=S	ZINC000409174931	570156408	/nfs/dbraw/zinc/15/64/08/570156408.db2.gz	VWIKYVKUGAFHDB-XDHOZWIPSA-N	-2	0	489.553	3.941	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187427	570160875	/nfs/dbraw/zinc/16/08/75/570160875.db2.gz	QFQCEWUNWOHBFG-XSFVSMFZSA-N	-2	0	486.480	3.947	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409189812	570161495	/nfs/dbraw/zinc/16/14/95/570161495.db2.gz	SZERFELWTWTVIR-YBEGLDIGSA-N	-3	0	496.884	3.828	40	10		JHCBRL
CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)cc1	ZINC000409196233	570163617	/nfs/dbraw/zinc/16/36/17/570163617.db2.gz	XUYGCYBOMGKIBY-XDHOZWIPSA-N	-2	0	460.467	3.679	40	10		JHCBRL
CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O	ZINC000409217673	570173330	/nfs/dbraw/zinc/17/33/30/570173330.db2.gz	RJEHTYYPJLTBDX-LICLKQGHSA-N	-2	0	473.459	3.723	40	10		JHCBRL
CCNc1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000004366940	520278776	/nfs/dbraw/zinc/27/87/76/520278776.db2.gz	NYGXIUUDFXQSGG-QZQOTICOSA-N	-2	0	467.481	3.592	40	10		JHCBRL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000015012511	520628705	/nfs/dbraw/zinc/62/87/05/520628705.db2.gz	MHZLNSBLNMVXKA-DHDCSXOGSA-N	-2	0	489.278	3.818	40	10		JHCBRL
O=C([O-])c1cc2ccccc2c(N=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)[O-])c1O	ZINC000004887192	554482903	/nfs/dbraw/zinc/48/29/03/554482903.db2.gz	ZCGHMFIVQIMDSP-VHEBQXMUSA-N	-2	0	462.352	3.722	40	10		JHCBRL
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Br)c1	ZINC000009260241	555034365	/nfs/dbraw/zinc/03/43/65/555034365.db2.gz	JJORFEYUKRBQQL-VZUCSPMQSA-N	-2	0	455.692	3.779	40	10		JHCBRL
O=C([O-])c1cccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2[N+](=O)[O-])c1	ZINC000107722700	569857142	/nfs/dbraw/zinc/85/71/42/569857142.db2.gz	XWHHEMAXCPMAKM-ZDLGFXPLSA-N	-2	0	493.859	3.987	40	10		JHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408692239	570015353	/nfs/dbraw/zinc/01/53/53/570015353.db2.gz	ICXGUXZVWWZELC-DEDYPNTBSA-N	-2	0	478.501	3.767	40	10		JHCBRL
Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408936420	570081576	/nfs/dbraw/zinc/08/15/76/570081576.db2.gz	GFALNGNXUMIJOJ-KGENOOAVSA-N	-2	0	456.454	3.939	40	10		JHCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c1	ZINC000409176886	570157250	/nfs/dbraw/zinc/15/72/50/570157250.db2.gz	AAHJPRIGRFVXST-WOJGMQOQSA-N	-2	0	494.506	3.889	40	10		JHCBRL
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1	ZINC000409189199	570161309	/nfs/dbraw/zinc/16/13/09/570161309.db2.gz	FKONJHBPTMQGER-WOJGMQOQSA-N	-2	0	477.454	3.693	40	10		JHCBRL
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1	ZINC000409189060	570161353	/nfs/dbraw/zinc/16/13/53/570161353.db2.gz	HZUOMQVLNFOPQT-WQRHYEAKSA-N	-2	0	477.454	3.693	40	10		JHCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)ccc21	ZINC000409196175	570163572	/nfs/dbraw/zinc/16/35/72/570163572.db2.gz	XJLMSAJIIUQPAR-YXHQGMJNSA-N	-2	0	498.358	3.881	40	10		JHCBRL
O=C1C=C(S(=O)(=O)[O-])C(Cl)=CC1=NNc1ccc2c(cccc2S(=O)(=O)[O-])c1O	ZINC000299888231	570177937	/nfs/dbraw/zinc/17/79/37/570177937.db2.gz	AYHLSSSEVIQUHA-UHFFFAOYSA-N	-2	0	458.857	3.813	40	10		JHCBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)c(C(=O)[O-])c3)C2=O)ccc1Br	ZINC000408532490	570188546	/nfs/dbraw/zinc/18/85/46/570188546.db2.gz	MWGZTGMGUNQHCO-MDWZMJQESA-N	-2	0	478.686	3.688	40	10		JHCBRL
O=c1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1	ZINC000020523061	527103015	/nfs/dbraw/zinc/10/30/15/527103015.db2.gz	OVCFYTGZRGJZBK-UTTYWZDOSA-N	-2	0	465.447	3.745	40	10		JHCBRL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000014133105	555700626	/nfs/dbraw/zinc/70/06/26/555700626.db2.gz	ANBATELZPUUWBR-XSFVSMFZSA-N	-2	0	456.454	3.939	40	10		JHCBRL
O=C([O-])c1ccc(N=Nc2c(=O)n(C(=O)CC(=O)Nc3ccc(F)cc3)[n-]c2-c2ccccc2)cc1	ZINC000102982023	569830408	/nfs/dbraw/zinc/83/04/08/569830408.db2.gz	CTRQZCVKJVXKSW-IFQZSBTPSA-N	-2	0	487.447	3.778	40	10		JHCBRL
O=C([O-])c1ccc(N=Nc2c(=O)n(C(=O)CC(=O)Nc3ccc(F)cc3)[n-]c2-c2ccccc2)cc1	ZINC000104276011	569844566	/nfs/dbraw/zinc/84/45/66/569844566.db2.gz	CTRQZCVKJVXKSW-BMJHRBPQSA-N	-2	0	487.447	3.778	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408692527	570015472	/nfs/dbraw/zinc/01/54/72/570015472.db2.gz	OLPBHRYCSQTQNZ-LICLKQGHSA-N	-2	0	455.898	3.850	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000408897949	570067525	/nfs/dbraw/zinc/06/75/25/570067525.db2.gz	JUFVVLDUYMCMTP-KGENOOAVSA-N	-2	0	486.480	3.947	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F	ZINC000408945157	570083424	/nfs/dbraw/zinc/08/34/24/570083424.db2.gz	WBVMWARFAFVJKA-XDHOZWIPSA-N	-2	0	490.443	3.778	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409018704	570102298	/nfs/dbraw/zinc/10/22/98/570102298.db2.gz	XTZAMLCOYMHNOV-SRMXYGTFSA-N	-2	0	479.272	3.520	40	10		JHCBRL
CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)CC1	ZINC000409273722	570189575	/nfs/dbraw/zinc/18/95/75/570189575.db2.gz	RSHSPYPMBAQMOZ-YBFXNURJSA-N	-2	0	498.513	3.638	40	10		JHCBRL
O=C([O-])CCC1(CCC(=O)[O-])CCCCCCCCC(CCC(=O)[O-])(CCC(=O)[O-])C(=O)C1=O	ZINC000005955682	194409680	/nfs/dbraw/zinc/40/96/80/194409680.db2.gz	ZPAOCLAKRURAOZ-UHFFFAOYSA-N	-4	0	484.542	3.691	40	10	endogenous,in-man	JHCBRL
O=C([O-])COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000059136444	195391682	/nfs/dbraw/zinc/39/16/82/195391682.db2.gz	GUNNJNPQTNQQHY-XYOKQWHBSA-N	-2	0	479.283	3.723	40	10		JHCBRL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S	ZINC000002441177	554209745	/nfs/dbraw/zinc/20/97/45/554209745.db2.gz	ZUTDAWTWLZTAEP-LLUUXILJSA-N	-2	0	460.514	3.685	40	10		JHCBRL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	ZINC000028296961	556331189	/nfs/dbraw/zinc/33/11/89/556331189.db2.gz	WQGDRKRCERQHGX-CHJAJTDHSA-N	-2	0	482.879	3.637	40	10		JHCBRL
CCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000104205714	569843064	/nfs/dbraw/zinc/84/30/64/569843064.db2.gz	YJMLQEMPMUOIKW-LRVSTDGRSA-N	-2	0	457.512	3.937	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1	ZINC000408937021	570081624	/nfs/dbraw/zinc/08/16/24/570081624.db2.gz	HMKZXUFTLHQWSQ-FYJGNVAPSA-N	-2	0	460.417	3.769	40	10		JHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1	ZINC000409067565	570117047	/nfs/dbraw/zinc/11/70/47/570117047.db2.gz	FIGCCZGPFOHKJV-HMAPJEAMSA-N	-2	0	472.453	3.639	40	10		JHCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000409104412	570129619	/nfs/dbraw/zinc/12/96/19/570129619.db2.gz	ZIJDJIFZTHFAAX-LDADJPATSA-N	-2	0	480.274	3.604	40	10		JHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCC	ZINC000409188938	570161182	/nfs/dbraw/zinc/16/11/82/570161182.db2.gz	KUTNWDGWNKXEQY-OQLLNIDSSA-N	-2	0	474.922	3.667	40	10		JHCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)ccc21	ZINC000409190167	570161604	/nfs/dbraw/zinc/16/16/04/570161604.db2.gz	LVHZDUNRJVQCLD-VAKHEIKFSA-N	-2	0	482.290	3.716	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409218120	570173459	/nfs/dbraw/zinc/17/34/59/570173459.db2.gz	YSROZBVQTSGPGJ-CPNJWEJPSA-N	-2	0	459.527	3.932	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409253551	570186545	/nfs/dbraw/zinc/18/65/45/570186545.db2.gz	ZOXVGWVIRJUHQH-SEEODLKFSA-N	-2	0	479.272	3.520	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000059135238	195390088	/nfs/dbraw/zinc/39/00/88/195390088.db2.gz	FGTPILSCYSNCPY-AWNIVKPZSA-N	-2	0	493.241	3.567	40	10		JHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCC(=O)[O-]	ZINC000408854593	570056131	/nfs/dbraw/zinc/05/61/31/570056131.db2.gz	ABCQBTIJWCYZOA-XYOKQWHBSA-N	-2	0	495.340	3.687	40	10		JHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409044435	570108251	/nfs/dbraw/zinc/10/82/51/570108251.db2.gz	CVKFGHIARHUPTQ-KPKJPENVSA-N	-2	0	479.272	3.522	40	10		JHCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c1	ZINC000409097915	570127380	/nfs/dbraw/zinc/12/73/80/570127380.db2.gz	JPZYPKGXUZYFNZ-LDADJPATSA-N	-2	0	451.891	3.660	40	10		JHCBRL
CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2cc(C(=O)[O-])ccc2C)C1=O	ZINC000408531656	570188085	/nfs/dbraw/zinc/18/80/85/570188085.db2.gz	LAUFLNMWMHXRCC-XNTDXEJSSA-N	-2	0	472.295	3.597	40	10		JHCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	ZINC000059249785	195396183	/nfs/dbraw/zinc/39/61/83/195396183.db2.gz	VGDHPHXUDUZKGA-VZUCSPMQSA-N	-2	0	485.732	3.942	40	10		JHCBRL
O=C([O-])[C@H](N(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)C(=O)[O-]	ZINC000016399752	526306905	/nfs/dbraw/zinc/30/69/05/526306905.db2.gz	WHNFTCKBTCLGTQ-XEXOPBTESA-N	-2	0	472.197	3.720	40	10		JHCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	ZINC000408857254	570056816	/nfs/dbraw/zinc/05/68/16/570056816.db2.gz	LPILIERUCGSXIC-UXBLZVDNSA-N	-2	0	485.732	3.942	40	10		JHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1	ZINC000409040049	570107324	/nfs/dbraw/zinc/10/73/24/570107324.db2.gz	FJMRXLUOCASNBN-STZFKDTASA-N	-2	0	472.453	3.639	40	10		JHCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1	ZINC000409098095	570127387	/nfs/dbraw/zinc/12/73/87/570127387.db2.gz	NIBPULUUYWLING-LDADJPATSA-N	-2	0	496.342	3.769	40	10		JHCBRL
COc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1	ZINC000409193808	570162909	/nfs/dbraw/zinc/16/29/09/570162909.db2.gz	LWOONXSOBFQPRK-FYJGNVAPSA-N	-2	0	475.526	3.632	40	10		JHCBRL
O=C([O-])c1cccc(N=Nc2c(S(=O)(=O)[O-])ccc3c2C(=O)c2ccccc2C3=O)c1O	ZINC000003954370	194367305	/nfs/dbraw/zinc/36/73/05/194367305.db2.gz	SGZIPXUJJLQYDT-GHVJWSGMSA-N	-2	0	452.400	3.528	40	10	in-vitro	JHCBRL
O=C([O-])COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000059135669	195390709	/nfs/dbraw/zinc/39/07/09/195390709.db2.gz	WCTYAYJBJCDFBW-RIYZIHGNSA-N	-2	0	463.215	3.558	40	10		JHCBRL
O=C([O-])c1cccc(N=Nc2c(S(=O)(=O)[O-])ccc3c2C(=O)c2ccccc2C3=O)c1O	ZINC000013099340	556299291	/nfs/dbraw/zinc/29/92/91/556299291.db2.gz	SGZIPXUJJLQYDT-FCQUAONHSA-N	-2	0	452.400	3.528	40	10	in-vitro	JHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1	ZINC000104090808	569840744	/nfs/dbraw/zinc/84/07/44/569840744.db2.gz	LSCJCAMSAXFPGW-RGCCPRADSA-N	-2	0	463.523	3.769	40	10		JHCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408930915	570079963	/nfs/dbraw/zinc/07/99/63/570079963.db2.gz	DSFVKQHWDUSRFE-LDADJPATSA-N	-2	0	496.342	3.769	40	10		JHCBRL
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000408942900	570083047	/nfs/dbraw/zinc/08/30/47/570083047.db2.gz	RDERLTOREBKBAR-XNTDXEJSSA-N	-2	0	473.279	3.603	40	10		JHCBRL
COc1cc(S(=O)(=O)[O-])c(C)cc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000253639021	570105462	/nfs/dbraw/zinc/10/54/62/570105462.db2.gz	UQWIHFJXDRNUDP-UHFFFAOYSA-N	-2	0	452.466	3.771	40	10		JHCBRL
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)cc1	ZINC000409190568	570161703	/nfs/dbraw/zinc/16/17/03/570161703.db2.gz	SIIKLJAWYSBIKU-CPNJWEJPSA-N	-2	0	490.493	3.653	40	10		JHCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)ccc21	ZINC000409192524	570162365	/nfs/dbraw/zinc/16/23/65/570162365.db2.gz	YJAVTUJRJCIYKY-YXHQGMJNSA-N	-2	0	453.907	3.772	40	10		JHCBRL
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)c(C)c1	ZINC000409195806	570163471	/nfs/dbraw/zinc/16/34/71/570163471.db2.gz	SCMKZTMYCLTBFY-XDHOZWIPSA-N	-2	0	490.493	3.571	40	10		JHCBRL
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409230354	570177561	/nfs/dbraw/zinc/17/75/61/570177561.db2.gz	YLXAYEUCQOUZTH-LDADJPATSA-N	-2	0	494.301	3.913	40	10		JHCBRL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026786815	525291037	/nfs/dbraw/zinc/29/10/37/525291037.db2.gz	HFLSUVINZGHBLP-UHFFFAOYSA-N	-2	0	462.505	3.551	40	10		JHCBRL
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C(=O)[N-]C2=S)cc1	ZINC000095925749	569730326	/nfs/dbraw/zinc/73/03/26/569730326.db2.gz	CQHAYOHZAPNESP-FYJGNVAPSA-N	-2	0	489.553	3.941	40	10		JHCBRL
O=C([O-])c1cccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000408902543	570069462	/nfs/dbraw/zinc/06/94/62/570069462.db2.gz	JLLQGSPRQHDTON-DEDYPNTBSA-N	-2	0	460.417	3.769	40	10		JHCBRL
CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000408936445	570081570	/nfs/dbraw/zinc/08/15/70/570081570.db2.gz	GKVSADZAWBSRBK-OQLLNIDSSA-N	-2	0	458.854	3.502	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1	ZINC000408939401	570082332	/nfs/dbraw/zinc/08/23/32/570082332.db2.gz	MKBQYIJAVUXRGW-DEDYPNTBSA-N	-2	0	460.417	3.769	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020770	570102836	/nfs/dbraw/zinc/10/28/36/570102836.db2.gz	TTWBNVLREUFRFE-ZDIKFAODSA-N	-2	0	479.272	3.520	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020839	570102921	/nfs/dbraw/zinc/10/29/21/570102921.db2.gz	UPEFKIQMOSVTGA-MJWAUXSNSA-N	-2	0	495.340	3.685	40	10		JHCBRL
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[N-]C1=S	ZINC000409174976	570156543	/nfs/dbraw/zinc/15/65/43/570156543.db2.gz	WZNZKQHDFGRNFI-SFQUDFHCSA-N	-2	0	462.483	3.793	40	10		JHCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)ccc21	ZINC000409191795	570162204	/nfs/dbraw/zinc/16/22/04/570162204.db2.gz	NMMFKLRBLGJMBC-PBSOMRJOSA-N	-2	0	498.358	3.881	40	10		JHCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000409192553	570162347	/nfs/dbraw/zinc/16/23/47/570162347.db2.gz	YPNZGIARCNELJA-ONDHQXCVSA-N	-2	0	463.515	3.517	40	10		JHCBRL
Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409192708	570162516	/nfs/dbraw/zinc/16/25/16/570162516.db2.gz	ZKJIGVZSJHQKDH-GZTJUZNOSA-N	-2	0	477.454	3.693	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409200635	570165150	/nfs/dbraw/zinc/16/51/50/570165150.db2.gz	ISJNHUYUEJPFFV-DEDYPNTBSA-N	-2	0	459.527	3.932	40	10		JHCBRL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C(=O)[O-])ccc3OCC)C2=O)cc1OCC	ZINC000409203897	570166591	/nfs/dbraw/zinc/16/65/91/570166591.db2.gz	YYOGAGMJWZMDLQ-QGOAFFKASA-N	-2	0	482.489	3.637	40	10		JHCBRL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21	ZINC000409234883	570179241	/nfs/dbraw/zinc/17/92/41/570179241.db2.gz	ADXRSLUIZHUDTD-LZYBPNLTSA-N	-2	0	473.432	3.576	40	10		JHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000009265494	555041589	/nfs/dbraw/zinc/04/15/89/555041589.db2.gz	OLBBIYHSQCOBGD-NDENLUEZSA-N	-2	0	485.452	3.656	40	10		JHCBRL
COc1cc(/N=N\c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)cc1N	ZINC000017302806	556253598	/nfs/dbraw/zinc/25/35/98/556253598.db2.gz	JLVALQOIIVGPBD-MRCUWXFGSA-N	-2	0	451.482	3.648	40	10		JHCBRL
Cc1cc([O-])c(S(=O)(=O)c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000026786897	556263367	/nfs/dbraw/zinc/26/33/67/556263367.db2.gz	WJGPOHXODXBGFY-UHFFFAOYSA-N	-2	0	462.505	3.551	40	10		JHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)c(OCC)c1	ZINC000409191208	570161981	/nfs/dbraw/zinc/16/19/81/570161981.db2.gz	DIZZDGIMLNTBFJ-SJPXOZHESA-N	-2	0	491.500	3.751	40	10		JHCBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000409191392	570162115	/nfs/dbraw/zinc/16/21/15/570162115.db2.gz	GIASAYMBMPRUJG-BKUYFWCQSA-N	-2	0	459.527	3.932	40	10		JHCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1NN=C1C=C([N+](=O)[O-])C=C(Cl)C1=O	ZINC000004280969	527532352	/nfs/dbraw/zinc/53/23/52/527532352.db2.gz	RXBSMELZKWYFCU-VHEBQXMUSA-N	-2	0	453.820	3.816	40	10		JHCBRL
CCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000104205726	569843070	/nfs/dbraw/zinc/84/30/70/569843070.db2.gz	YJMLQEMPMUOIKW-TWMRLEJJSA-N	-2	0	457.512	3.937	40	10		JHCBRL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000209565554	569875999	/nfs/dbraw/zinc/87/59/99/569875999.db2.gz	URVBRNJJJHNKGS-MOSHPQCFSA-N	-2	0	486.480	3.947	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408807362	570048065	/nfs/dbraw/zinc/04/80/65/570048065.db2.gz	CBQAKPVTJMGAPV-DEDYPNTBSA-N	-2	0	472.453	3.639	40	10		JHCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1	ZINC000408919244	570076556	/nfs/dbraw/zinc/07/65/56/570076556.db2.gz	VFLMMRHNZUTVGO-WQRHYEAKSA-N	-2	0	450.447	3.924	40	10		JHCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])C1=O	ZINC000409057708	570112577	/nfs/dbraw/zinc/11/25/77/570112577.db2.gz	QJLXZSNAECVNHN-MDWZMJQESA-N	-2	0	493.697	3.541	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409244224	570183330	/nfs/dbraw/zinc/18/33/30/570183330.db2.gz	ZTZFKHRJCAHETN-LZAIMSLLSA-N	-2	0	495.340	3.685	40	10		JHCBRL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21	ZINC000032192943	556433414	/nfs/dbraw/zinc/43/34/14/556433414.db2.gz	PNXNZJFRMNERRK-MDWZMJQESA-N	-2	0	474.325	3.864	40	10		JHCBRL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000059678886	569607406	/nfs/dbraw/zinc/60/74/06/569607406.db2.gz	YEERQVTTZBTHPA-CEITULEQSA-N	-2	0	465.314	3.677	40	10		JHCBRL
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000408742181	570032585	/nfs/dbraw/zinc/03/25/85/570032585.db2.gz	PZTXUIKPLBKYEL-XGICHPGQSA-N	-2	0	482.699	3.548	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1	ZINC000408944179	570083314	/nfs/dbraw/zinc/08/33/14/570083314.db2.gz	TWYMSLLJKCVIRZ-DEDYPNTBSA-N	-2	0	472.453	3.639	40	10		JHCBRL
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000408962666	570086495	/nfs/dbraw/zinc/08/64/95/570086495.db2.gz	ZWAKRXFHJKZENA-XSFVSMFZSA-N	-2	0	458.495	3.795	40	10		JHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1Cl	ZINC000408990159	570093728	/nfs/dbraw/zinc/09/37/28/570093728.db2.gz	MZOLAPSMYGPJQD-AUWJEWJLSA-N	-2	0	493.697	3.541	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409186396	570160761	/nfs/dbraw/zinc/16/07/61/570160761.db2.gz	BNTCTUNELKGTJJ-XSFVSMFZSA-N	-2	0	472.453	3.639	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187419	570160859	/nfs/dbraw/zinc/16/08/59/570160859.db2.gz	QDZOORPVDZYAGE-KGENOOAVSA-N	-2	0	486.480	3.947	40	10		JHCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)ccc21	ZINC000409190168	570161641	/nfs/dbraw/zinc/16/16/41/570161641.db2.gz	LVHZDUNRJVQCLD-YXHQGMJNSA-N	-2	0	482.290	3.716	40	10		JHCBRL
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCc1ccccc1	ZINC000409191340	570161949	/nfs/dbraw/zinc/16/19/49/570161949.db2.gz	WEMGYULSPAQMJZ-DEDYPNTBSA-N	-2	0	488.521	3.804	40	10		JHCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O)C(=O)[O-]	ZINC000409192867	570162558	/nfs/dbraw/zinc/16/25/58/570162558.db2.gz	GMUWUEDQVSZSMG-QSARLWQPSA-N	-2	0	465.314	3.677	40	10		JHCBRL
CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000409195042	570163304	/nfs/dbraw/zinc/16/33/04/570163304.db2.gz	QWKUDRSGGWPBHP-OQLLNIDSSA-N	-2	0	489.347	3.766	40	10		JHCBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000409196333	570163596	/nfs/dbraw/zinc/16/35/96/570163596.db2.gz	ZCOZVRMMQBCSNA-NDENLUEZSA-N	-2	0	490.497	3.532	40	10		JHCBRL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000059135866	195390631	/nfs/dbraw/zinc/39/06/31/195390631.db2.gz	BRJRBHKDWOFZMQ-WEVVVXLNSA-N	-2	0	466.244	3.874	40	10		JHCBRL
O=C1c2c(O)cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1cc(Cl)ccc1O	ZINC000017380101	556260553	/nfs/dbraw/zinc/26/05/53/556260553.db2.gz	KBLPVLOHGYMDQP-HNENSFHCSA-N	-2	0	474.856	3.519	40	10		JHCBRL
O=C([O-])c1ccc(COc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc(Cl)cc2[N+](=O)[O-])cc1	ZINC000033397414	569625782	/nfs/dbraw/zinc/62/57/82/569625782.db2.gz	AYRSIKXZJAWXNV-ODLFYWEKSA-N	-2	0	493.859	3.987	40	10		JHCBRL
Nc1c(/N=N\c2ccc(S(=O)(=O)[N-]c3cnccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000104344381	569845157	/nfs/dbraw/zinc/84/51/57/569845157.db2.gz	BEWGDLLEHCQFHG-IZHYLOQSSA-N	-2	0	484.519	3.675	40	10		JHCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408962732	570086545	/nfs/dbraw/zinc/08/65/45/570086545.db2.gz	UBDVRMSTUFEAGE-LDADJPATSA-N	-2	0	480.274	3.604	40	10		JHCBRL
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000409175481	570156598	/nfs/dbraw/zinc/15/65/98/570156598.db2.gz	ZODOBMOGDZDVBK-CPNJWEJPSA-N	-2	0	475.526	3.632	40	10		JHCBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)c1	ZINC000409208853	570168499	/nfs/dbraw/zinc/16/84/99/570168499.db2.gz	DRJXMUYSAGKKBK-FYJGNVAPSA-N	-2	0	473.485	3.857	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409243803	570183221	/nfs/dbraw/zinc/18/32/21/570183221.db2.gz	UNSYAXQQUNEKQQ-QSARLWQPSA-N	-2	0	479.272	3.520	40	10		JHCBRL
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(S(=O)(=O)[O-])cc4)c3=O)n2)cc1	ZINC000008386901	554569852	/nfs/dbraw/zinc/56/98/52/554569852.db2.gz	XIRKDQJUSOVWBL-CCWVLBSLSA-N	-2	0	471.520	3.940	40	10		JHCBRL
COc1ccc(S(=O)(=O)c2c(C)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2[O-])cc1	ZINC000026786826	556262872	/nfs/dbraw/zinc/26/28/72/556262872.db2.gz	GTQFCMKXSJWVIQ-UHFFFAOYSA-N	-2	0	492.531	3.559	40	10		JHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000107824874	569857563	/nfs/dbraw/zinc/85/75/63/569857563.db2.gz	REJJRYUZYZQFNU-STZFKDTASA-N	-2	0	458.470	3.824	40	10		JHCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)c1	ZINC000408742262	570032554	/nfs/dbraw/zinc/03/25/54/570032554.db2.gz	VRFZNABSJMDALB-WUXMJOGZSA-N	-2	0	480.112	3.892	40	10		JHCBRL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1	ZINC000408918834	570076225	/nfs/dbraw/zinc/07/62/25/570076225.db2.gz	PPFXCOVGHMBWKR-WQRHYEAKSA-N	-2	0	450.447	3.924	40	10		JHCBRL
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C1=O	ZINC000409083482	570122318	/nfs/dbraw/zinc/12/23/18/570122318.db2.gz	AURHSPXZUDMVNM-LDADJPATSA-N	-2	0	494.301	3.913	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409186575	570160702	/nfs/dbraw/zinc/16/07/02/570160702.db2.gz	DYQXOXSYHSEKMB-KGENOOAVSA-N	-2	0	486.480	3.947	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409192008	570162284	/nfs/dbraw/zinc/16/22/84/570162284.db2.gz	SFMFKUJTOCNRPS-SFQUDFHCSA-N	-2	0	450.497	3.960	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409214653	570171716	/nfs/dbraw/zinc/17/17/16/570171716.db2.gz	ZEOIWJVGVYGGSC-DEDYPNTBSA-N	-2	0	459.527	3.932	40	10		JHCBRL
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C(=O)[N-]C2=S)cc1	ZINC000409217318	570173130	/nfs/dbraw/zinc/17/31/30/570173130.db2.gz	OZMASKGVHQXNDD-DEDYPNTBSA-N	-2	0	475.526	3.632	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409220676	570174195	/nfs/dbraw/zinc/17/41/95/570174195.db2.gz	DDVSTOAXKNHJPC-XNFYSYIQSA-N	-2	0	479.272	3.520	40	10		JHCBRL
Nc1c(/N=N/c2ccc(S(=O)(=O)[N-]c3cnccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000004522192	194391547	/nfs/dbraw/zinc/39/15/47/194391547.db2.gz	BEWGDLLEHCQFHG-OCOZRVBESA-N	-2	0	484.519	3.675	40	10		JHCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	ZINC000059249488	195396034	/nfs/dbraw/zinc/39/60/34/195396034.db2.gz	ZSAOSTRPSZVYES-VZUCSPMQSA-N	-2	0	469.664	3.777	40	10		JHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1	ZINC000043450373	520897005	/nfs/dbraw/zinc/89/70/05/520897005.db2.gz	LSCJCAMSAXFPGW-JMSHBIQUSA-N	-2	0	463.523	3.769	40	10		JHCBRL
CC(=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000020286488	555755160	/nfs/dbraw/zinc/75/51/60/555755160.db2.gz	ZOPFPBLPDPUAGV-QNGOZBTKSA-N	-2	0	480.525	3.834	40	10		JHCBRL
COc1ccc(S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)c(C)c2[O-])cc1	ZINC000026786894	556262946	/nfs/dbraw/zinc/26/29/46/556262946.db2.gz	ZCMWKHKAHJYSPK-UHFFFAOYSA-N	-2	0	492.531	3.559	40	10		JHCBRL
COc1ccc(S(=O)(=O)c2c(C)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)cc2[O-])cc1	ZINC000026786910	556263385	/nfs/dbraw/zinc/26/33/85/556263385.db2.gz	WVQJQTSYWDXXPT-UHFFFAOYSA-N	-2	0	492.531	3.559	40	10		JHCBRL
[O-]c1c(Cl)cc(Oc2cc(Cl)c([O-])c(CN3CCOCC3)c2)cc1CN1CCOCC1	ZINC000031628495	556400672	/nfs/dbraw/zinc/40/06/72/556400672.db2.gz	OSYFJLSHWOAYDF-UHFFFAOYSA-N	-2	0	469.365	3.861	40	10		JHCBRL
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000059678888	569607456	/nfs/dbraw/zinc/60/74/56/569607456.db2.gz	YEERQVTTZBTHPA-WWNSAXIVSA-N	-2	0	465.314	3.677	40	10		JHCBRL
CCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000104205718	569843128	/nfs/dbraw/zinc/84/31/28/569843128.db2.gz	YJMLQEMPMUOIKW-BBJJLJPOSA-N	-2	0	457.512	3.937	40	10		JHCBRL
CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408938054	570081917	/nfs/dbraw/zinc/08/19/17/570081917.db2.gz	KGSCENLHUCNIJO-LFIBNONCSA-N	-2	0	473.279	3.603	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409191730	570162156	/nfs/dbraw/zinc/16/21/56/570162156.db2.gz	LUGSSHYUPKAHAN-MHWRWJLKSA-N	-3	0	496.884	3.828	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409240317	570181664	/nfs/dbraw/zinc/18/16/64/570181664.db2.gz	GMSUQDADFRVJCL-XNFYSYIQSA-N	-2	0	495.340	3.685	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409253552	570186504	/nfs/dbraw/zinc/18/65/04/570186504.db2.gz	ZOXVGWVIRJUHQH-XNFYSYIQSA-N	-2	0	479.272	3.520	40	10		JHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000408541223	570191601	/nfs/dbraw/zinc/19/16/01/570191601.db2.gz	CBMOKLVWJHVQRD-UDWIEESQSA-N	-2	0	469.453	3.956	40	10		JHCBRL
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)c3ccccc32)o1	ZINC000408542275	570191750	/nfs/dbraw/zinc/19/17/50/570191750.db2.gz	IPFVXABQBAKCDR-GZTJUZNOSA-N	-2	0	489.484	3.951	40	10		JHCBRL
O=C([O-])c1ccc(Cl)c(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	ZINC000408552351	570195507	/nfs/dbraw/zinc/19/55/07/570195507.db2.gz	RVBQUWLOKBXZGT-YFHOEESVSA-N	-2	0	454.266	3.574	40	10		JHCBRL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	ZINC000009884780	195013730	/nfs/dbraw/zinc/01/37/30/195013730.db2.gz	PMVWQSDURRWRQX-VWBIBIBXSA-N	-2	0	482.879	3.637	40	10		JHCBRL
O=C1c2ccc(-c3ccc4c(c3)C(=O)c3c(O)c([O-])ccc3C4=O)cc2C(=O)c2c(O)c([O-])ccc21	ZINC000004783172	527121555	/nfs/dbraw/zinc/12/15/55/527121555.db2.gz	ZUDQTYYYECELEH-UHFFFAOYSA-N	-2	0	478.412	3.727	40	10		JHCBRL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	ZINC000028296959	527624610	/nfs/dbraw/zinc/62/46/10/527624610.db2.gz	WQGDRKRCERQHGX-VWBIBIBXSA-N	-2	0	482.879	3.637	40	10		JHCBRL
O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c3ccccc32)c1	ZINC000408693931	570016482	/nfs/dbraw/zinc/01/64/82/570016482.db2.gz	CCDVYLPORMCDTF-FYJGNVAPSA-N	-2	0	457.486	3.792	40	10		JHCBRL
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000408776411	570040323	/nfs/dbraw/zinc/04/03/23/570040323.db2.gz	OFPSCEFKWRTQLG-MHWRWJLKSA-N	-2	0	453.794	3.880	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020840	570102894	/nfs/dbraw/zinc/10/28/94/570102894.db2.gz	UPEFKIQMOSVTGA-ZDIKFAODSA-N	-2	0	495.340	3.685	40	10		JHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409046029	570108688	/nfs/dbraw/zinc/10/86/88/570108688.db2.gz	HYZDQXSYGOAFKA-MKMNVTDBSA-N	-2	0	479.272	3.522	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000409188189	570161093	/nfs/dbraw/zinc/16/10/93/570161093.db2.gz	BOUTWWZHVVPNRB-LDADJPATSA-N	-2	0	496.342	3.769	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1C	ZINC000409190443	570161789	/nfs/dbraw/zinc/16/17/89/570161789.db2.gz	NMDCOLHRFUWWSG-DEDYPNTBSA-N	-2	0	459.527	3.932	40	10		JHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)c(OCC)c1	ZINC000409191207	570162007	/nfs/dbraw/zinc/16/20/07/570162007.db2.gz	DIZZDGIMLNTBFJ-DQPIFXJKSA-N	-2	0	491.500	3.751	40	10		JHCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)ccc21	ZINC000409191794	570162111	/nfs/dbraw/zinc/16/21/11/570162111.db2.gz	NMMFKLRBLGJMBC-OOIIIRTPSA-N	-2	0	498.358	3.881	40	10		JHCBRL
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000409194128	570162959	/nfs/dbraw/zinc/16/29/59/570162959.db2.gz	NDMMJNIPTYMHED-WOJGMQOQSA-N	-2	0	465.918	3.969	40	10		JHCBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1=O	ZINC000409245460	570183970	/nfs/dbraw/zinc/18/39/70/570183970.db2.gz	TZPMIHQVQQTBGG-XSFVSMFZSA-N	-2	0	473.485	3.857	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000059135256	195390022	/nfs/dbraw/zinc/39/00/22/195390022.db2.gz	ZTJFLANXJPSDFM-AWNIVKPZSA-N	-2	0	493.241	3.567	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000059136119	195391074	/nfs/dbraw/zinc/39/10/74/195391074.db2.gz	OAVHSNDNUDZOAQ-IZZDOVSWSA-N	-2	0	464.858	3.623	40	10		JHCBRL
C[C@@H](Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)[O-]	ZINC000012381041	555969753	/nfs/dbraw/zinc/96/97/53/555969753.db2.gz	TXZVJSOGFGMSTM-PEHNMLCRSA-N	-2	0	465.314	3.677	40	10		JHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1	ZINC000408785345	570042882	/nfs/dbraw/zinc/04/28/82/570042882.db2.gz	YPKGRTUTCFMQDD-HYARGMPZSA-N	-2	0	472.453	3.639	40	10		JHCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)ccc21	ZINC000409196507	570163728	/nfs/dbraw/zinc/16/37/28/570163728.db2.gz	ZWLNANNAKLGLCU-OOIIIRTPSA-N	-2	0	482.290	3.716	40	10		JHCBRL
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl	ZINC000409230312	570177499	/nfs/dbraw/zinc/17/74/99/570177499.db2.gz	YEEWOCMMEAXEPZ-WOJGMQOQSA-N	-2	0	465.918	3.969	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409244570	570183537	/nfs/dbraw/zinc/18/35/37/570183537.db2.gz	FQMYCAFFQVGAPO-DEDYPNTBSA-N	-2	0	459.527	3.932	40	10		JHCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(OCC)c3)C2=O)c1	ZINC000059105277	195388518	/nfs/dbraw/zinc/38/85/18/195388518.db2.gz	PYINRMRWLOILFC-GZTJUZNOSA-N	-2	0	498.488	3.853	40	10		JHCBRL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000059135466	195390344	/nfs/dbraw/zinc/39/03/44/195390344.db2.gz	XVMQDWNXVSUYOC-VGOFMYFVSA-N	-2	0	462.817	3.848	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000016195088	521960958	/nfs/dbraw/zinc/96/09/58/521960958.db2.gz	MLXOMRPNSXYSNT-XGICHPGQSA-N	-2	0	451.313	3.835	40	10		JHCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1=O	ZINC000009260118	555034500	/nfs/dbraw/zinc/03/45/00/555034500.db2.gz	FVPNAQFFNBLAIO-PDGQHHTCSA-N	-2	0	490.468	3.794	40	10		JHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000015013562	555855528	/nfs/dbraw/zinc/85/55/28/555855528.db2.gz	HHSLJRTTWVZYDB-FEEIMYBTSA-N	-2	0	467.279	3.838	40	10		JHCBRL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000012381045	555969674	/nfs/dbraw/zinc/96/96/74/555969674.db2.gz	CYSZFYWXGOXELG-QVASGMJFSA-N	-2	0	479.272	3.520	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1	ZINC000408937360	570081774	/nfs/dbraw/zinc/08/17/74/570081774.db2.gz	IZXJVAJCLCZADO-DEDYPNTBSA-N	-2	0	460.417	3.769	40	10		JHCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408961358	570086061	/nfs/dbraw/zinc/08/60/61/570086061.db2.gz	RZTDATRXPBJUOZ-KGENOOAVSA-N	-2	0	456.454	3.939	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1F	ZINC000409191709	570162074	/nfs/dbraw/zinc/16/20/74/570162074.db2.gz	LFSBXUFRWQNWGJ-LDADJPATSA-N	-2	0	463.490	3.763	40	10		JHCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)ccc21	ZINC000409196171	570163579	/nfs/dbraw/zinc/16/35/79/570163579.db2.gz	XJLMSAJIIUQPAR-VAKHEIKFSA-N	-2	0	498.358	3.881	40	10		JHCBRL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1OCC	ZINC000409216110	570172566	/nfs/dbraw/zinc/17/25/66/570172566.db2.gz	FBFLGZJUXPQQCX-MHWRWJLKSA-N	-2	0	499.476	3.553	40	10		JHCBRL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1O	ZINC000004641592	519750815	/nfs/dbraw/zinc/75/08/15/519750815.db2.gz	PWRLVEWXQPTLBZ-SFHVURJKSA-N	-2	0	496.463	3.908	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000016196178	521959586	/nfs/dbraw/zinc/95/95/86/521959586.db2.gz	DYYFWEHKRMBVDF-ZSOIEALJSA-N	-2	0	491.319	3.593	40	10		JHCBRL
COc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1[O-]	ZINC000016194931	522974120	/nfs/dbraw/zinc/97/41/20/522974120.db2.gz	SMXVBGNKACOZFF-NTUHNPAUSA-N	-2	0	478.280	3.743	40	10		JHCBRL
Nc1c(/N=N/c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000004362822	527423386	/nfs/dbraw/zinc/42/33/86/527423386.db2.gz	RDOCWOMJXOTCCF-OCOZRVBESA-N	-2	0	484.519	3.675	40	10		JHCBRL
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)c1	ZINC000009324325	555096999	/nfs/dbraw/zinc/09/69/99/555096999.db2.gz	XSXIBVMWMUCLGT-YBEGLDIGSA-N	-3	0	496.884	3.828	40	10		JHCBRL
C[C@H](Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)[O-]	ZINC000012381040	555969702	/nfs/dbraw/zinc/96/97/02/555969702.db2.gz	TXZVJSOGFGMSTM-AVMBBCFPSA-N	-2	0	465.314	3.677	40	10		JHCBRL
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(S(=O)(=O)[O-])cc4)c3=O)n2)cc1	ZINC000100510863	569763201	/nfs/dbraw/zinc/76/32/01/569763201.db2.gz	XIRKDQJUSOVWBL-KGNHYALCSA-N	-2	0	471.520	3.940	40	10		JHCBRL
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1	ZINC000408743143	570032852	/nfs/dbraw/zinc/03/28/52/570032852.db2.gz	ZLZTVEZECUOFJH-IZZDOVSWSA-N	-2	0	466.085	3.584	40	10		JHCBRL
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)[N-]C2=S)cc1	ZINC000408777976	570040672	/nfs/dbraw/zinc/04/06/72/570040672.db2.gz	NJAXGYLJDDPNAV-HYARGMPZSA-N	-2	0	488.521	3.804	40	10		JHCBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1	ZINC000408853426	570055963	/nfs/dbraw/zinc/05/59/63/570055963.db2.gz	SDYCOJHXVJIIIY-VZUCSPMQSA-N	-2	0	484.075	3.723	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1	ZINC000408936580	570081579	/nfs/dbraw/zinc/08/15/79/570081579.db2.gz	GTEIDSXESHCPAD-FYJGNVAPSA-N	-2	0	487.424	3.538	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409050269	570109691	/nfs/dbraw/zinc/10/96/91/570109691.db2.gz	TVVPAZOLJQGDLI-NYYWCZLTSA-N	-2	0	499.690	3.785	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187612	570160974	/nfs/dbraw/zinc/16/09/74/570160974.db2.gz	SKSUVTRUSSLSFS-QGOAFFKASA-N	-2	0	490.443	3.778	40	10		JHCBRL
Cc1ccc(C(=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O	ZINC000408537288	570190729	/nfs/dbraw/zinc/19/07/29/570190729.db2.gz	ZVAUUSWEDAFFGC-NTEUORMPSA-N	-2	0	472.295	3.651	40	10		JHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000033391906	523962935	/nfs/dbraw/zinc/96/29/35/523962935.db2.gz	HGNDEUJASSLWOX-DHDCSXOGSA-N	-2	0	473.279	3.982	40	10		JHCBRL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786804	525291121	/nfs/dbraw/zinc/29/11/21/525291121.db2.gz	KKLVXGMZPNSLEB-UHFFFAOYSA-N	-2	0	482.923	3.896	40	10		JHCBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)s1	ZINC000043365984	526372953	/nfs/dbraw/zinc/37/29/53/526372953.db2.gz	YELXRFXLPAPXNK-BFQBXFRASA-N	-2	0	455.525	3.522	40	10		JHCBRL
Cc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000009310857	555087018	/nfs/dbraw/zinc/08/70/18/555087018.db2.gz	MQWKFSJIFRGAPT-MLPAPPSSSA-N	-2	0	465.314	3.597	40	10		JHCBRL
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000033708833	569631345	/nfs/dbraw/zinc/63/13/45/569631345.db2.gz	PHZKAUJMBGFBQJ-ZDLGFXPLSA-N	-2	0	493.859	3.987	40	10		JHCBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000409044717	570108419	/nfs/dbraw/zinc/10/84/19/570108419.db2.gz	WUMAXHPPXNENIZ-AWNIVKPZSA-N	-2	0	493.697	3.541	40	10		JHCBRL
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1	ZINC000409071566	570118494	/nfs/dbraw/zinc/11/84/94/570118494.db2.gz	KFKUXJWRVJAQTL-BKUYFWCQSA-N	-2	0	487.424	3.538	40	10		JHCBRL
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C(=O)[N-]C1=S	ZINC000409175252	570156594	/nfs/dbraw/zinc/15/65/94/570156594.db2.gz	ZJLUGAJCFXLGOT-CPNJWEJPSA-N	-2	0	489.553	3.941	40	10		JHCBRL
Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)cc1Cl	ZINC000409245508	570183927	/nfs/dbraw/zinc/18/39/27/570183927.db2.gz	UWDMKVAANDUMBC-LZYBPNLTSA-N	-2	0	453.907	3.519	40	10		JHCBRL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000015013154	555855082	/nfs/dbraw/zinc/85/50/82/555855082.db2.gz	BLLVRWODXYQSKY-FBKCMUNRSA-N	-2	0	454.504	3.836	40	10		JHCBRL
Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2)cc1	ZINC000408935252	570081303	/nfs/dbraw/zinc/08/13/03/570081303.db2.gz	CIUOXFCGXNDCGC-HYARGMPZSA-N	-2	0	456.454	3.939	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc(F)c1	ZINC000408936603	570081669	/nfs/dbraw/zinc/08/16/69/570081669.db2.gz	GYAFRVNHPKZETI-UDWIEESQSA-N	-2	0	490.443	3.778	40	10		JHCBRL
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Cl	ZINC000409070175	570117949	/nfs/dbraw/zinc/11/79/49/570117949.db2.gz	XVRXYHPHZADHPF-BJMVGYQFSA-N	-2	0	469.664	3.777	40	10		JHCBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1	ZINC000409073081	570119115	/nfs/dbraw/zinc/11/91/15/570119115.db2.gz	XDDBEIANCQBFLL-YBFXNURJSA-N	-2	0	492.871	3.989	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000409189217	570161382	/nfs/dbraw/zinc/16/13/82/570161382.db2.gz	MXUNVNCKVZVAEI-RGVLZGJSSA-N	-2	0	490.497	3.532	40	10		JHCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-]	ZINC000409189823	570161647	/nfs/dbraw/zinc/16/16/47/570161647.db2.gz	TYMSOHZNRXYOIF-XNFYSYIQSA-N	-2	0	465.314	3.677	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409221503	570174597	/nfs/dbraw/zinc/17/45/97/570174597.db2.gz	REGLGZPLELALED-DEDYPNTBSA-N	-2	0	459.527	3.932	40	10		JHCBRL
CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccccc1C)C(S(=O)(=O)[O-])=C2	ZINC000025693973	519707933	/nfs/dbraw/zinc/70/79/33/519707933.db2.gz	MWQZCIAZVZWFDV-DQRAZIAOSA-N	-2	0	479.492	3.721	40	10		JHCBRL
COc1cc(/N=N/c2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)cc1N	ZINC000004523128	522016065	/nfs/dbraw/zinc/01/60/65/522016065.db2.gz	JLVALQOIIVGPBD-QZQOTICOSA-N	-2	0	451.482	3.648	40	10		JHCBRL
COc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1[O-]	ZINC000016194938	522973303	/nfs/dbraw/zinc/97/33/03/522973303.db2.gz	YSJGKBUGAOZUGL-QPEQYQDCSA-N	-2	0	462.212	3.578	40	10		JHCBRL
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)c2=O)cc1	ZINC000020286484	555755175	/nfs/dbraw/zinc/75/51/75/555755175.db2.gz	LJDZPXRPFKGAQK-JWGURIENSA-N	-2	0	492.561	3.703	40	10		JHCBRL
O=C([O-])c1ccc(N=Nc2c(=O)n(C(=O)CC(=O)Nc3ccc(F)cc3)[n-]c2-c2ccccc2)cc1	ZINC000102982025	569830324	/nfs/dbraw/zinc/83/03/24/569830324.db2.gz	CTRQZCVKJVXKSW-XHWLHZJSSA-N	-2	0	487.447	3.778	40	10		JHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1	ZINC000104090813	569840787	/nfs/dbraw/zinc/84/07/87/569840787.db2.gz	LSCJCAMSAXFPGW-WTVYTQLBSA-N	-2	0	463.523	3.769	40	10		JHCBRL
O=C([O-])c1cccc(COc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc(Cl)cc2[N+](=O)[O-])c1	ZINC000107981654	569858163	/nfs/dbraw/zinc/85/81/63/569858163.db2.gz	QDQABOKYANXUSB-ODLFYWEKSA-N	-2	0	493.859	3.987	40	10		JHCBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)ccc1Br	ZINC000408762252	570037157	/nfs/dbraw/zinc/03/71/57/570037157.db2.gz	AJSXSHCCWRAPSQ-WUXMJOGZSA-N	-2	0	480.658	3.691	40	10		JHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000408989231	570093366	/nfs/dbraw/zinc/09/33/66/570093366.db2.gz	SQKGVHLTHJJVDQ-WCIBSUBMSA-N	-2	0	480.658	3.691	40	10		JHCBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])C1=O	ZINC000409048308	570109338	/nfs/dbraw/zinc/10/93/38/570109338.db2.gz	SJGMAIYHVZFTTB-VGOFMYFVSA-N	-2	0	493.697	3.541	40	10		JHCBRL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21	ZINC000409106135	570130238	/nfs/dbraw/zinc/13/02/38/570130238.db2.gz	QLQDEASOKGKHOM-MDWZMJQESA-N	-2	0	458.257	3.699	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187525	570160867	/nfs/dbraw/zinc/16/08/67/570160867.db2.gz	RMYJRTYYXIIERW-UDWIEESQSA-N	-2	0	490.443	3.778	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000409189399	570161406	/nfs/dbraw/zinc/16/14/06/570161406.db2.gz	GDYZUUBRNIAOSV-MHWRWJLKSA-N	-3	0	496.884	3.828	40	10		JHCBRL
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000409195764	570163503	/nfs/dbraw/zinc/16/35/03/570163503.db2.gz	KSHQFPDRSHQFMF-ZDLGFXPLSA-N	-2	0	455.898	3.850	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000409196415	570163688	/nfs/dbraw/zinc/16/36/88/570163688.db2.gz	ZZEUFOKWMSARBP-RCCKNPSSSA-N	-2	0	471.538	3.970	40	10		JHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)cc1	ZINC000409218911	570173735	/nfs/dbraw/zinc/17/37/35/570173735.db2.gz	YGMCLHDTPFBFAX-KGENOOAVSA-N	-2	0	473.485	3.857	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409244225	570183335	/nfs/dbraw/zinc/18/33/35/570183335.db2.gz	ZTZFKHRJCAHETN-QSARLWQPSA-N	-2	0	495.340	3.685	40	10		JHCBRL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1O	ZINC000003656725	194353575	/nfs/dbraw/zinc/35/35/75/194353575.db2.gz	PWRLVEWXQPTLBZ-GOSISDBHSA-N	-2	0	496.463	3.908	40	10		JHCBRL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	ZINC000096306234	130056333	/nfs/dbraw/zinc/05/63/33/130056333.db2.gz	WQGDRKRCERQHGX-JVXNRYDGSA-N	-2	0	482.879	3.637	40	10		JHCBRL
COc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c(OC)c1	ZINC000032117122	556425491	/nfs/dbraw/zinc/42/54/91/556425491.db2.gz	DTQUORJDXAONIE-PDGQHHTCSA-N	-2	0	477.498	3.864	40	10		JHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033637258	569629349	/nfs/dbraw/zinc/62/93/49/569629349.db2.gz	QMVSGQNJOOSQJR-STZFKDTASA-N	-2	0	458.470	3.824	40	10		JHCBRL
O=c1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1	ZINC000100365830	569758072	/nfs/dbraw/zinc/75/80/72/569758072.db2.gz	OVCFYTGZRGJZBK-QAHCAUCSSA-N	-2	0	465.447	3.745	40	10		JHCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408945510	570083422	/nfs/dbraw/zinc/08/34/22/570083422.db2.gz	WOUQXVUPYQPBPI-DEDYPNTBSA-N	-2	0	487.424	3.538	40	10		JHCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c1	ZINC000409099614	570127872	/nfs/dbraw/zinc/12/78/72/570127872.db2.gz	OUMRQHHWMNFIEZ-LDADJPATSA-N	-2	0	480.274	3.604	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(F)c1	ZINC000409190659	570161910	/nfs/dbraw/zinc/16/19/10/570161910.db2.gz	UTFLUBKRFRLJJK-RGVLZGJSSA-N	-2	0	463.490	3.763	40	10		JHCBRL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S	ZINC000002441174	527624581	/nfs/dbraw/zinc/62/45/81/527624581.db2.gz	ZUTDAWTWLZTAEP-NGPAHMQLSA-N	-2	0	460.514	3.685	40	10		JHCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1	ZINC000009264446	555039306	/nfs/dbraw/zinc/03/93/06/555039306.db2.gz	ATHKJFKGNNGDIQ-VBKFSLOCSA-N	-2	0	451.891	3.660	40	10		JHCBRL
CC(=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000020286480	555755125	/nfs/dbraw/zinc/75/51/25/555755125.db2.gz	PFIRIFJPOBZVPL-PGMHBOJBSA-N	-2	0	462.535	3.694	40	10		JHCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	ZINC000059678802	569607477	/nfs/dbraw/zinc/60/74/77/569607477.db2.gz	NRVZONPCYMCNHZ-UXBLZVDNSA-N	-2	0	469.664	3.777	40	10		JHCBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)s1	ZINC000104090798	569840748	/nfs/dbraw/zinc/84/07/48/569840748.db2.gz	YELXRFXLPAPXNK-KTVWJZFRSA-N	-2	0	455.525	3.522	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000409190396	570161709	/nfs/dbraw/zinc/16/17/09/570161709.db2.gz	YGYMREUSXPQXSU-UDWIEESQSA-N	-2	0	463.490	3.763	40	10		JHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OC(C)C	ZINC000409191639	570162158	/nfs/dbraw/zinc/16/21/58/570162158.db2.gz	JXFLESAMRCFAGB-OVCLIPMQSA-N	-2	0	474.922	3.665	40	10		JHCBRL
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1Cl	ZINC000409245017	570183755	/nfs/dbraw/zinc/18/37/55/570183755.db2.gz	MDSKNIVXRVEMPY-WOJGMQOQSA-N	-2	0	465.918	3.969	40	10		JHCBRL
O=C([O-])c1cc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)ccc1Cl	ZINC000009259811	526341543	/nfs/dbraw/zinc/34/15/43/526341543.db2.gz	AOWMNUHSJLERCJ-OQLLNIDSSA-N	-2	0	480.816	3.693	40	10		JHCBRL
O=C([O-])[C@@H](N(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)C(=O)[O-]	ZINC000016399749	527650354	/nfs/dbraw/zinc/65/03/54/527650354.db2.gz	WHNFTCKBTCLGTQ-ZIPFOMIPSA-N	-2	0	472.197	3.720	40	10		JHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000408778316	570040792	/nfs/dbraw/zinc/04/07/92/570040792.db2.gz	DHOCUYLIFUMDLT-AWNIVKPZSA-N	-2	0	493.697	3.541	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187413	570160843	/nfs/dbraw/zinc/16/08/43/570160843.db2.gz	QCWRHBDRFHHJHS-XSFVSMFZSA-N	-2	0	488.521	3.804	40	10		JHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000409195442	570163294	/nfs/dbraw/zinc/16/32/94/570163294.db2.gz	UNOUKGSFGSNWCD-HYARGMPZSA-N	-2	0	488.569	3.690	40	10		JHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409243802	570183245	/nfs/dbraw/zinc/18/32/45/570183245.db2.gz	UNSYAXQQUNEKQQ-LZAIMSLLSA-N	-2	0	479.272	3.520	40	10		JHCBRL
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)c3ccccc32)o1	ZINC000408541572	570191635	/nfs/dbraw/zinc/19/16/35/570191635.db2.gz	GRSGBLNIXHAJDR-VXLYETTFSA-N	-2	0	473.416	3.786	40	10		JHCBRL