smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(N=NC2CCc3ccccc32)c(S(=O)(=O)[N-]c2ccccc2Cl)c1	ZINC000012604834	195049754	/nfs/dbraw/zinc/04/97/54/195049754.db2.gz	CPHPOJCWQNLAMW-NKFKGCMQSA-N	-1	1	456.911	4.811	40	30		JJEBMM
COc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)cc1	ZINC000012622467	195057663	/nfs/dbraw/zinc/05/76/63/195057663.db2.gz	DRYICWOFGMSNEM-OEAKJJBVSA-N	-1	1	474.926	4.894	40	30		JJEBMM
CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000012622578	195057863	/nfs/dbraw/zinc/05/78/63/195057863.db2.gz	KVVPVFYPTRBQMQ-LPYMAVHISA-N	-1	1	489.897	4.793	40	30		JJEBMM
CCC(Cc1ccccc1)N=Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1[N+](=O)[O-]	ZINC000012660677	195080651	/nfs/dbraw/zinc/08/06/51/195080651.db2.gz	MYMMCMZYVPTTDW-HKOYGPOVSA-N	-1	1	468.535	4.825	40	30		JJEBMM
COc1cc([C@@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)ccc1OCCC(C)C	ZINC000022607051	522934199	/nfs/dbraw/zinc/93/41/99/522934199.db2.gz	UHCRVNDUNLZHEU-QHCPKHFHSA-N	-1	1	492.620	4.758	40	30		JJEBMM
COc1cc([C@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)ccc1OCCC(C)C	ZINC000022607049	522968597	/nfs/dbraw/zinc/96/85/97/522968597.db2.gz	UHCRVNDUNLZHEU-HSZRJFAPSA-N	-1	1	492.620	4.758	40	30		JJEBMM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccnc2)c1	ZINC000018210980	556311275	/nfs/dbraw/zinc/31/12/75/556311275.db2.gz	DXPRJTHOHZKQHN-OAQYLSRUSA-N	-1	1	495.329	4.644	40	30		JJEBMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccnc2)c1	ZINC000018210980	556311280	/nfs/dbraw/zinc/31/12/80/556311280.db2.gz	DXPRJTHOHZKQHN-OAQYLSRUSA-N	-1	1	495.329	4.644	40	30		JJEBMM
COc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)c(O)c1	ZINC000102982743	569830512	/nfs/dbraw/zinc/83/05/12/569830512.db2.gz	LDZBUMIPTRGJAR-YDZHTSKRSA-N	-1	1	490.925	4.599	40	30		JJEBMM
C=CCOc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc([N+](=O)[O-])cc1OC	ZINC000408632657	569983935	/nfs/dbraw/zinc/98/39/35/569983935.db2.gz	GMIROTIKAPCJEY-LICLKQGHSA-N	-1	1	488.909	4.825	40	30		JJEBMM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(N3CCCC3)n2)o1	ZINC000408725352	570028004	/nfs/dbraw/zinc/02/80/04/570028004.db2.gz	FMTXDYMQLIORHO-WGOQTCKBSA-N	-1	1	484.520	4.560	40	30		JJEBMM
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)c(Br)c(Br)c1[O-]	ZINC000409091746	570125013	/nfs/dbraw/zinc/12/50/13/570125013.db2.gz	UCWDILXEHUEHEU-IGCPIRJNSA-N	-1	1	469.055	4.786	40	30		JJEBMM
Cc1c(/N=C/c2cc(Br)cc(I)c2O)cccc1C(=O)[O-]	ZINC000409107107	570130709	/nfs/dbraw/zinc/13/07/09/570130709.db2.gz	UWSUDFKERIAPOR-CNHKJKLMSA-N	-1	1	460.065	4.517	40	30		JJEBMM
Cc1ccc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)c([N+](=O)[O-])c1	ZINC000409211813	570170315	/nfs/dbraw/zinc/17/03/15/570170315.db2.gz	OIOVSUOHFOTLJG-WPWMEQJKSA-N	-1	1	498.547	4.950	40	30		JJEBMM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc([O-])c(Br)c1	ZINC000409283363	570191827	/nfs/dbraw/zinc/19/18/27/570191827.db2.gz	QSKJWNQPQQGLMK-UHFFFAOYSA-N	-1	1	465.145	4.633	40	30		JJEBMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1	ZINC000012651763	195076202	/nfs/dbraw/zinc/07/62/02/195076202.db2.gz	FSCGXWGDGIAPAA-ZVHZXABRSA-N	-1	1	476.461	4.833	40	30		JJEBMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1	ZINC000026120661	556249091	/nfs/dbraw/zinc/24/90/91/556249091.db2.gz	RCMIBZOTJNCBLA-UHFFFAOYSA-N	-1	1	460.621	4.790	40	30		JJEBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N/N=C3\SC(=N)N=C3c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000102949430	569829830	/nfs/dbraw/zinc/82/98/30/569829830.db2.gz	XMEJLTYNDVNNBB-KJGNISGQSA-N	-1	1	494.558	4.600	40	30		JJEBMM
C#CCOc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1OCC	ZINC000408630712	569982491	/nfs/dbraw/zinc/98/24/91/569982491.db2.gz	CEQHLWGWMATRKH-NDENLUEZSA-N	-1	1	485.949	4.762	40	30		JJEBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(OCC#N)ccc4ccccc43)C(=O)[O-])n2)c1	ZINC000408634042	569984898	/nfs/dbraw/zinc/98/48/98/569984898.db2.gz	RHZWKDOBHIONAN-HMAPJEAMSA-N	-1	1	488.525	4.762	40	30		JJEBMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1	ZINC000225784919	570021612	/nfs/dbraw/zinc/02/16/12/570021612.db2.gz	UXRPOYMVTYRBTM-UHFFFAOYSA-N	-1	1	469.975	4.632	40	30		JJEBMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1	ZINC000225798874	570022241	/nfs/dbraw/zinc/02/22/41/570022241.db2.gz	UWMHREPSYWJZIW-UHFFFAOYSA-N	-1	1	469.975	4.632	40	30		JJEBMM
CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1C#N	ZINC000408750153	570033892	/nfs/dbraw/zinc/03/38/92/570033892.db2.gz	KXQNOLAVCZWCRM-DLBZAZTESA-N	-1	1	495.630	4.572	40	30		JJEBMM
CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)c1C#N	ZINC000408750923	570034174	/nfs/dbraw/zinc/03/41/74/570034174.db2.gz	UBVMPZWTXIEXPN-UHFFFAOYSA-N	-1	1	489.582	4.693	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000408903154	570069730	/nfs/dbraw/zinc/06/97/30/570069730.db2.gz	QBSVUINANMZJMR-CXUHLZMHSA-N	-1	1	461.370	4.694	40	30		JJEBMM
CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2[O-])C2=C1CCCC2=O	ZINC000409049196	570109503	/nfs/dbraw/zinc/10/95/03/570109503.db2.gz	YEAKXMOMWWIUAR-UHFFFAOYSA-N	-1	1	481.184	4.960	40	30		JJEBMM
CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C1=O	ZINC000409050971	570109950	/nfs/dbraw/zinc/10/99/50/570109950.db2.gz	FPQLNGOCCDOSPL-YBEGLDIGSA-N	-1	1	494.352	4.569	40	30		JJEBMM
CC(C)/N=C1\S/C(=C/c2cc(Cl)cc(I)c2[O-])C(=O)N1C(C)C	ZINC000409211985	570170271	/nfs/dbraw/zinc/17/02/71/570170271.db2.gz	LCPLZEBCAHWMPN-GEHGQZCVSA-N	-1	1	464.756	4.739	40	30		JJEBMM
Cc1ccc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCC4)n3)o2)c([N+](=O)[O-])c1	ZINC000409212767	570170671	/nfs/dbraw/zinc/17/06/71/570170671.db2.gz	QZOOSSBMQCHVIR-WGOQTCKBSA-N	-1	1	484.520	4.560	40	30		JJEBMM
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\[O-])cc1C	ZINC000409256122	570186879	/nfs/dbraw/zinc/18/68/79/570186879.db2.gz	NZDILCLIOZWZCA-ZBKNUEDVSA-N	-1	1	456.134	4.654	40	30		JJEBMM
O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc([O-])c(I)c1	ZINC000409280361	570190969	/nfs/dbraw/zinc/19/09/69/570190969.db2.gz	BCDVRTVSJFKJHE-UHFFFAOYSA-N	-1	1	473.314	4.637	40	30		JJEBMM
C=CCN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000033670382	518828812	/nfs/dbraw/zinc/82/88/12/518828812.db2.gz	PKKYSTQGPQNNOH-XDHOZWIPSA-N	-1	1	478.961	4.586	40	30		JJEBMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000006445229	554539696	/nfs/dbraw/zinc/53/96/96/554539696.db2.gz	HBQLTZDMYZPUKG-IBGZPJMESA-N	-1	1	453.267	4.766	40	30		JJEBMM
COc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])c(OC)c1	ZINC000012529141	555998497	/nfs/dbraw/zinc/99/84/97/555998497.db2.gz	RTJBJQRPTCJDED-YDZHTSKRSA-N	-1	1	490.925	4.512	40	30		JJEBMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1	ZINC000027563932	556297527	/nfs/dbraw/zinc/29/75/27/556297527.db2.gz	HONZZDNGOXFIJO-UHFFFAOYSA-N	-1	1	479.602	4.717	40	30		JJEBMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1	ZINC000027563932	556297529	/nfs/dbraw/zinc/29/75/29/556297529.db2.gz	HONZZDNGOXFIJO-UHFFFAOYSA-N	-1	1	479.602	4.717	40	30		JJEBMM
N#Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)c1	ZINC000222838541	569892329	/nfs/dbraw/zinc/89/23/29/569892329.db2.gz	VSXSYTIXYJZTQE-UHFFFAOYSA-N	-1	1	476.341	4.683	40	30		JJEBMM
C=CCn1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])c2ccccc21	ZINC000408632480	569983733	/nfs/dbraw/zinc/98/37/33/569983733.db2.gz	JDTCQDSIVXDKLD-MTJSOVHGSA-N	-1	1	462.531	4.847	40	30		JJEBMM
C#CCOc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1OCC	ZINC000408634124	569985016	/nfs/dbraw/zinc/98/50/16/569985016.db2.gz	PKTJVXQHZHUQDT-UYRXBGFRSA-N	-1	1	455.923	4.754	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)[N-]C1=S	ZINC000408900971	570068401	/nfs/dbraw/zinc/06/84/01/570068401.db2.gz	AXYKFRQHQIDPAE-LICLKQGHSA-N	-1	1	491.396	4.784	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)C(=O)[N-]C1=S	ZINC000408901833	570068854	/nfs/dbraw/zinc/06/88/54/570068854.db2.gz	HQPBCBSLTHOILF-XSFVSMFZSA-N	-1	1	462.958	4.885	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[N-]C1=S	ZINC000408903173	570069653	/nfs/dbraw/zinc/06/96/53/570069653.db2.gz	VCKICLWHKSADIF-KGENOOAVSA-N	-1	1	462.958	4.885	40	30		JJEBMM
COc1cccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccnc2)c1	ZINC000008662619	524170260	/nfs/dbraw/zinc/17/02/60/524170260.db2.gz	HMOCEAVSJNUFLR-FQEVSTJZSA-N	-1	1	465.303	4.636	40	30		JJEBMM
COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccnc2)c1	ZINC000008662619	524170267	/nfs/dbraw/zinc/17/02/67/524170267.db2.gz	HMOCEAVSJNUFLR-FQEVSTJZSA-N	-1	1	465.303	4.636	40	30		JJEBMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)cc1	ZINC000012529144	555998382	/nfs/dbraw/zinc/99/83/82/555998382.db2.gz	PKXIGVCWDWUKMH-DHRITJCHSA-N	-1	1	494.451	4.869	40	30		JJEBMM
CCOc1ccccc1CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000012562837	556057415	/nfs/dbraw/zinc/05/74/15/556057415.db2.gz	FWUDCPZFLNOHNP-OEAKJJBVSA-N	-1	1	474.926	4.894	40	30		JJEBMM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1	ZINC000026119233	556248273	/nfs/dbraw/zinc/24/82/73/556248273.db2.gz	IKPKWZIOZPKEQV-UHFFFAOYSA-N	-1	1	460.621	4.646	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)s1	ZINC000223513106	569914149	/nfs/dbraw/zinc/91/41/49/569914149.db2.gz	VUWQGAUVBUDGPK-UHFFFAOYSA-N	-1	1	474.633	4.795	40	30		JJEBMM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(N3CCCCC3)n2)o1	ZINC000408728008	570028444	/nfs/dbraw/zinc/02/84/44/570028444.db2.gz	UNUVPMVPZWDXKH-WPWMEQJKSA-N	-1	1	498.547	4.950	40	30		JJEBMM
CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1C#N	ZINC000408750155	570033898	/nfs/dbraw/zinc/03/38/98/570033898.db2.gz	KXQNOLAVCZWCRM-IAGOWNOFSA-N	-1	1	495.630	4.572	40	30		JJEBMM
CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Cl)c([O-])c(OCC)c2)C1=O	ZINC000409005571	570097786	/nfs/dbraw/zinc/09/77/86/570097786.db2.gz	FXBMWHQLLIIRPL-PDGQHHTCSA-N	-1	1	487.961	4.614	40	30		JJEBMM
O=C([O-])COc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br	ZINC000409071503	570118368	/nfs/dbraw/zinc/11/83/68/570118368.db2.gz	PCMSFEFGBJMFNO-GEVRCRHISA-N	-1	1	496.623	4.939	40	30		JJEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC000409075333	570119822	/nfs/dbraw/zinc/11/98/22/570119822.db2.gz	QXESGVUXGJVUHK-UHFFFAOYSA-N	-1	1	491.396	4.614	40	30		JJEBMM
O=C([O-])COc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br	ZINC000409112685	570132794	/nfs/dbraw/zinc/13/27/94/570132794.db2.gz	GBEUJOCHKYPIMG-RREIPUBJSA-N	-1	1	497.065	4.535	40	30		JJEBMM
CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000033686849	518453050	/nfs/dbraw/zinc/45/30/50/518453050.db2.gz	KVVPVFYPTRBQMQ-XKZIYDEJSA-N	-1	1	489.897	4.793	40	30		JJEBMM
CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)ccc1O	ZINC000012498889	520642752	/nfs/dbraw/zinc/64/27/52/520642752.db2.gz	ASPWWFLKPMAPST-YDZHTSKRSA-N	-1	1	490.925	4.599	40	30		JJEBMM
CCc1cc2c(ncnc2N=NCc2cc(Br)cc(Br)c2[O-])s1	ZINC000016161314	523848112	/nfs/dbraw/zinc/84/81/12/523848112.db2.gz	WEZUBQSMEJJAHA-CGOBSMCZSA-N	-1	1	456.163	4.930	40	30		JJEBMM
O=C1c2cccc3cccc(c32)C(=O)N1/N=C/c1c([O-])cc(Br)cc1Br	ZINC000016431701	527127350	/nfs/dbraw/zinc/12/73/50/527127350.db2.gz	RZYBDXDDCWSCQA-LSFURLLWSA-N	-1	1	474.108	4.701	40	30		JJEBMM
C=CCOc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1OC	ZINC000408632174	569983503	/nfs/dbraw/zinc/98/35/03/569983503.db2.gz	OKKPHHTXFVQXGX-ODLFYWEKSA-N	-1	1	473.938	4.925	40	30		JJEBMM
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\[O-])c(C)c1	ZINC000409251766	570185930	/nfs/dbraw/zinc/18/59/30/570185930.db2.gz	QPPLRJUWIHGEKR-ZBKNUEDVSA-N	-1	1	456.134	4.654	40	30		JJEBMM
CCOc1cccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)c1O	ZINC000012564428	556060447	/nfs/dbraw/zinc/06/04/47/556060447.db2.gz	BSSVAPAADVMHNV-YDZHTSKRSA-N	-1	1	490.925	4.599	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)s1	ZINC000223513537	569914182	/nfs/dbraw/zinc/91/41/82/569914182.db2.gz	WESOQHOAVXYTDE-UHFFFAOYSA-N	-1	1	474.633	4.795	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)s1	ZINC000225163963	569979319	/nfs/dbraw/zinc/97/93/19/569979319.db2.gz	KYWMGDLIQHFPRI-UHFFFAOYSA-N	-1	1	481.024	4.831	40	30		JJEBMM
Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	ZINC000408720631	570026500	/nfs/dbraw/zinc/02/65/00/570026500.db2.gz	AQTLCCHDFGUWBC-GATIEOLUSA-N	-1	1	495.330	4.617	40	30		JJEBMM
CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1C#N	ZINC000408750156	570033902	/nfs/dbraw/zinc/03/39/02/570033902.db2.gz	KXQNOLAVCZWCRM-IRXDYDNUSA-N	-1	1	495.630	4.572	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408901731	570068748	/nfs/dbraw/zinc/06/87/48/570068748.db2.gz	BFDLMMCVLPQSFK-DEDYPNTBSA-N	-1	1	494.414	4.573	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000408901795	570068756	/nfs/dbraw/zinc/06/87/56/570068756.db2.gz	CKCUGILPJANZHI-OVCLIPMQSA-N	-1	1	465.333	4.524	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[N-]C1=S	ZINC000408901765	570068777	/nfs/dbraw/zinc/06/87/77/570068777.db2.gz	BWRQWHKJBCCFTJ-VCHYOVAHSA-N	-1	1	470.381	4.809	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)C(=O)[N-]C1=S	ZINC000408902042	570069145	/nfs/dbraw/zinc/06/91/45/570069145.db2.gz	JZRDKSYNPKZPJE-MHWRWJLKSA-N	-1	1	491.396	4.784	40	30		JJEBMM
[O-]c1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1I	ZINC000409099798	570127983	/nfs/dbraw/zinc/12/79/83/570127983.db2.gz	LQNBKKORSGNOLM-DENHBWNVSA-N	-1	1	486.029	4.619	40	30		JJEBMM
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\[O-])cc1Cl	ZINC000409258065	570187102	/nfs/dbraw/zinc/18/71/02/570187102.db2.gz	WDBNFLCGSHBSEL-SCDVKCJHSA-N	-1	1	476.552	4.999	40	30		JJEBMM
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000408547237	570193652	/nfs/dbraw/zinc/19/36/52/570193652.db2.gz	XHYNLAWPADNWTI-UHFFFAOYSA-N	-1	1	477.586	4.581	40	30		JJEBMM
CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1ccc2c(c1)OCO2	ZINC000059408299	195399077	/nfs/dbraw/zinc/39/90/77/195399077.db2.gz	MSCZVSCMNACEAG-QRVIBDJDSA-N	-1	1	488.909	4.614	40	30		JJEBMM
CC(C)CCOc1ccc([C@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000022607029	519675087	/nfs/dbraw/zinc/67/50/87/519675087.db2.gz	BIFBDHOCMJONIK-JOCHJYFZSA-N	-1	1	462.594	4.750	40	30		JJEBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N/N=C3/SC(=N)N=C3c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000009508615	525606890	/nfs/dbraw/zinc/60/68/90/525606890.db2.gz	XMEJLTYNDVNNBB-HHYSGPTDSA-N	-1	1	494.558	4.600	40	30		JJEBMM
Cc1ccc(SC=C([O-])NC(=Nc2nc(C)cc(C)n2)NCCc2c[nH]c3ccc(F)cc23)cc1	ZINC000014730328	555839241	/nfs/dbraw/zinc/83/92/41/555839241.db2.gz	GMEWEOCRJHQXMH-UHFFFAOYSA-N	-1	1	490.608	4.941	40	30		JJEBMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000018055923	556280591	/nfs/dbraw/zinc/28/05/91/556280591.db2.gz	HBQLTZDMYZPUKG-LJQANCHMSA-N	-1	1	453.267	4.766	40	30		JJEBMM
O=[P@]([O-])(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100534560	569763860	/nfs/dbraw/zinc/76/38/60/569763860.db2.gz	XVQMYDZWOXOBMD-UHFFFAOYSA-N	-1	1	478.088	4.928	40	30		JJEBMM
O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1ccc([O-])c(Br)c1	ZINC000408766895	570038074	/nfs/dbraw/zinc/03/80/74/570038074.db2.gz	WOEIAOQDMCTOMM-ZSOIEALJSA-N	-1	1	454.143	4.809	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(=O)[N-]C1=S	ZINC000408902090	570069092	/nfs/dbraw/zinc/06/90/92/570069092.db2.gz	FVCFXVDTMVOQMT-LICLKQGHSA-N	-1	1	491.396	4.784	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(OCC)c2)C(=O)[N-]C1=S	ZINC000408901994	570069148	/nfs/dbraw/zinc/06/91/48/570069148.db2.gz	DIRQXSLXOMXSRM-PXLXIMEGSA-N	-1	1	472.566	4.630	40	30		JJEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OCC)c1OCc1ccc(C)cc1	ZINC000408902693	570069409	/nfs/dbraw/zinc/06/94/09/570069409.db2.gz	PZPGTTCHWBSVOK-PXLXIMEGSA-N	-1	1	476.598	4.514	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)[N-]C1=S	ZINC000408903603	570070021	/nfs/dbraw/zinc/07/00/21/570070021.db2.gz	UENFVAZWXHHFAX-RIYZIHGNSA-N	-1	1	465.333	4.524	40	30		JJEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1	ZINC000408912505	570073513	/nfs/dbraw/zinc/07/35/13/570073513.db2.gz	HQYWIMKDNNAEHL-HZHRSRAPSA-N	-1	1	486.593	4.803	40	30		JJEBMM
O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cc(Cl)cc(I)c1[O-]	ZINC000408967572	570087994	/nfs/dbraw/zinc/08/79/94/570087994.db2.gz	VVLPZKXHNAKZLH-AWNIVKPZSA-N	-1	1	474.682	4.681	40	30		JJEBMM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccnc2)c1	ZINC000006136516	524910693	/nfs/dbraw/zinc/91/06/93/524910693.db2.gz	DXPRJTHOHZKQHN-NRFANRHFSA-N	-1	1	495.329	4.644	40	30		JJEBMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccnc2)c1	ZINC000006136516	524910703	/nfs/dbraw/zinc/91/07/03/524910703.db2.gz	DXPRJTHOHZKQHN-NRFANRHFSA-N	-1	1	495.329	4.644	40	30		JJEBMM
Cc1cc(NN=Cc2ccncc2)nc(-c2cc(Br)cc(Br)c2[O-])n1	ZINC000016283983	525042889	/nfs/dbraw/zinc/04/28/89/525042889.db2.gz	UNSODTKTQGMGOT-ZVBGSRNCSA-N	-1	1	463.133	4.524	40	30		JJEBMM
COc1cccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)c1OC	ZINC000009373117	525772950	/nfs/dbraw/zinc/77/29/50/525772950.db2.gz	CYZKVXHEQUWYJU-YDZHTSKRSA-N	-1	1	490.925	4.512	40	30		JJEBMM
O=C(CSc1nnc(NN=Cc2ccccc2Cl)[n-]1)NCc1ccc(Cl)c(Cl)c1	ZINC000020494510	527049032	/nfs/dbraw/zinc/04/90/32/527049032.db2.gz	REEYMZQIXQHSQT-NUGSKGIGSA-N	-1	1	469.785	4.619	40	30		JJEBMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000006444716	554538930	/nfs/dbraw/zinc/53/89/30/554538930.db2.gz	QIKOHEYVCVDHPM-IBGZPJMESA-N	-1	1	480.274	4.535	40	30		JJEBMM
COc1cc(/C=N/n2cnnc2SCc2ccc(Cl)cc2)cc(Br)c1[O-]	ZINC000008790587	554683707	/nfs/dbraw/zinc/68/37/07/554683707.db2.gz	SGRRHDBPKHBJSY-ODCIPOBUSA-N	-1	1	453.749	4.583	40	30		JJEBMM
COc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1OC	ZINC000012529137	555998489	/nfs/dbraw/zinc/99/84/89/555998489.db2.gz	HJLMAFIAHCNQMI-YDZHTSKRSA-N	-1	1	490.925	4.512	40	30		JJEBMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3c(O)ccc4ccccc43)c([N+](=O)[O-])c2)cc1	ZINC000012532611	556003376	/nfs/dbraw/zinc/00/33/76/556003376.db2.gz	MDNQZBAWKKUCHU-MFKUBSTISA-N	-1	1	492.513	4.709	40	30		JJEBMM
COc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1	ZINC000012562591	556056664	/nfs/dbraw/zinc/05/66/64/556056664.db2.gz	JUSBBWRNGBRXDV-LPYMAVHISA-N	-1	1	460.899	4.504	40	30		JJEBMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1	ZINC000012578782	556077644	/nfs/dbraw/zinc/07/76/44/556077644.db2.gz	LLBNZOACUYSSID-LPYMAVHISA-N	-1	1	460.899	4.504	40	30		JJEBMM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000018145495	556294004	/nfs/dbraw/zinc/29/40/04/556294004.db2.gz	CYDQUXJICSKUCQ-HXUWFJFHSA-N	-1	1	465.303	4.636	40	30		JJEBMM
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000018145495	556294007	/nfs/dbraw/zinc/29/40/07/556294007.db2.gz	CYDQUXJICSKUCQ-HXUWFJFHSA-N	-1	1	465.303	4.636	40	30		JJEBMM
CCCCN(CCCC)c1ccc(/C=c2/sc(=C(C#N)C#N)nc2-c2ccc([O-])cc2)cc1	ZINC000035196385	569678122	/nfs/dbraw/zinc/67/81/22/569678122.db2.gz	NMKTZZDRVHRBFD-KOEQRZSOSA-N	-1	1	456.615	4.949	40	30		JJEBMM
C=CCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl	ZINC000038756868	569807405	/nfs/dbraw/zinc/80/74/05/569807405.db2.gz	CKNHLVVLBGGVAK-UHFFFAOYSA-N	-1	1	483.977	4.617	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)s1	ZINC000225867114	570025760	/nfs/dbraw/zinc/02/57/60/570025760.db2.gz	FGUFNPQRDRFSQK-UHFFFAOYSA-N	-1	1	481.024	4.831	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408901271	570068590	/nfs/dbraw/zinc/06/85/90/570068590.db2.gz	CVXMFPUCJKKFQO-GZTJUZNOSA-N	-1	1	470.381	4.809	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[N-]C1=S	ZINC000408902705	570069542	/nfs/dbraw/zinc/06/95/42/570069542.db2.gz	QFCADIORQYCTTP-HZHRSRAPSA-N	-1	1	451.551	4.656	40	30		JJEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl	ZINC000408908885	570071698	/nfs/dbraw/zinc/07/16/98/570071698.db2.gz	DVAIUZFMBDJEOD-RQZCQDPDSA-N	-1	1	491.396	4.566	40	30		JJEBMM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc(Br)cc(I)c1O	ZINC000409100567	570128297	/nfs/dbraw/zinc/12/82/97/570128297.db2.gz	UWZADIPSFWBWSZ-CNHKJKLMSA-N	-1	1	460.065	4.517	40	30		JJEBMM
COc1cccc(C(C)N=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1	ZINC000012648271	195074719	/nfs/dbraw/zinc/07/47/19/195074719.db2.gz	JODKTDMSNDRKJF-OEAKJJBVSA-N	-1	1	474.926	4.894	40	30		JJEBMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000059402196	195398918	/nfs/dbraw/zinc/39/89/18/195398918.db2.gz	PLACSIGINXCYCV-XKZIYDEJSA-N	-1	1	489.897	4.793	40	30		JJEBMM
CCOc1cc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])ccc1O	ZINC000012482727	520642859	/nfs/dbraw/zinc/64/28/59/520642859.db2.gz	IEGFPCGRYOXMLQ-YDZHTSKRSA-N	-1	1	490.925	4.599	40	30		JJEBMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(C(F)(F)F)cc3)c([N+](=O)[O-])c2)cc1	ZINC000012529145	555998504	/nfs/dbraw/zinc/99/85/04/555998504.db2.gz	GFJORADMJCNNOP-DHRITJCHSA-N	-1	1	494.451	4.869	40	30		JJEBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)c(C)c1	ZINC000012561320	556054444	/nfs/dbraw/zinc/05/44/44/556054444.db2.gz	MQNBFLPPYMGREI-AFUMVMLFSA-N	-1	1	463.519	4.940	40	30		JJEBMM
COc1ccc(C(C)N=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1	ZINC000012562568	556056675	/nfs/dbraw/zinc/05/66/75/556056675.db2.gz	GXANALOTMUHZBT-OEAKJJBVSA-N	-1	1	474.926	4.894	40	30		JJEBMM
COc1ccc(C(C)N=Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])c(OC)c1	ZINC000012563900	556059147	/nfs/dbraw/zinc/05/91/47/556059147.db2.gz	SODPNFQYMYOEOW-KOEQRZSOSA-N	-1	1	498.561	4.866	40	30		JJEBMM
CCOc1ccc(N2C(=O)C(=N[N-]c3ccccc3OC)C(=O)N(c3ccc(C)cc3)C2=S)cc1	ZINC000016981981	556195170	/nfs/dbraw/zinc/19/51/70/556195170.db2.gz	PAYAZWGIASLFSB-NFFVHWSESA-N	-1	1	488.569	4.535	40	30		JJEBMM
CCOc1ccc(N2C(=O)C(=N[N-]c3ccccc3OC)C(=O)N(c3ccc(C)cc3)C2=S)cc1	ZINC000104142299	569841982	/nfs/dbraw/zinc/84/19/82/569841982.db2.gz	PAYAZWGIASLFSB-WEMUOSSPSA-N	-1	1	488.569	4.535	40	30		JJEBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C4(C#N)CC4)cc3)cc2)cc1	ZINC000222876854	569893278	/nfs/dbraw/zinc/89/32/78/569893278.db2.gz	GAGGBBSNLQRSBZ-UHFFFAOYSA-N	-1	1	459.571	4.922	40	30		JJEBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(CC#N)c3ccccc23)C(=O)[O-])n1	ZINC000408633536	569984561	/nfs/dbraw/zinc/98/45/61/569984561.db2.gz	ZRIJPJWKXGQQPU-GRSHGNNSSA-N	-1	1	465.922	4.830	40	30		JJEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OC)c1OCc1ccc2ccccc2c1	ZINC000408902355	570069271	/nfs/dbraw/zinc/06/92/71/570069271.db2.gz	NFFJLGOCPDIOLD-LFVJCYFKSA-N	-1	1	498.604	4.969	40	30		JJEBMM
Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(I)c3[O-])S2)cc1	ZINC000408960579	570085752	/nfs/dbraw/zinc/08/57/52/570085752.db2.gz	GZRGXYQSAFSIEH-VGOFMYFVSA-N	-1	1	470.719	4.850	40	30		JJEBMM
COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(I)c3[O-])S2)cc1	ZINC000408966928	570087744	/nfs/dbraw/zinc/08/77/44/570087744.db2.gz	RIVKHWHKIPZLLI-VGOFMYFVSA-N	-1	1	486.718	4.550	40	30		JJEBMM
O=C1CCCC2=C1C(c1cc(Br)cc(Br)c1[O-])C1=C(CCCC1=O)N2	ZINC000409030938	570105886	/nfs/dbraw/zinc/10/58/86/570105886.db2.gz	FTXVETIQJILXHN-UHFFFAOYSA-N	-1	1	467.157	4.618	40	30		JJEBMM
O=C([O-])c1ccc(Cl)c(/N=C/c2cc(Br)cc(I)c2O)c1	ZINC000409094078	570125887	/nfs/dbraw/zinc/12/58/87/570125887.db2.gz	CXZZBNUNHKOFOY-NGYBGAFCSA-N	-1	1	480.483	4.862	40	30		JJEBMM
COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000006156994	554513061	/nfs/dbraw/zinc/51/30/61/554513061.db2.gz	CYDQUXJICSKUCQ-FQEVSTJZSA-N	-1	1	465.303	4.636	40	30		JJEBMM
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000006156994	554513063	/nfs/dbraw/zinc/51/30/63/554513063.db2.gz	CYDQUXJICSKUCQ-FQEVSTJZSA-N	-1	1	465.303	4.636	40	30		JJEBMM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2cccc3ccccc32)c([N+](=O)[O-])c1	ZINC000025155960	556196720	/nfs/dbraw/zinc/19/67/20/556196720.db2.gz	ZNJVAPQDXLLLLM-MFKUBSTISA-N	-1	1	490.497	4.693	40	30		JJEBMM
O=C([O-])c1ccccc1-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)o1	ZINC000030295620	556364912	/nfs/dbraw/zinc/36/49/12/556364912.db2.gz	LRLKPZZPMXLAIR-QQXSKIMKSA-N	-1	1	469.505	4.620	40	30		JJEBMM
CCCCCCCCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCC	ZINC000109912781	569860633	/nfs/dbraw/zinc/86/06/33/569860633.db2.gz	RKVDPFNRQHZBFH-UHFFFAOYSA-N	-1	1	483.428	4.501	40	30		JJEBMM
C=CCOc1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1OCC	ZINC000408633513	569984537	/nfs/dbraw/zinc/98/45/37/569984537.db2.gz	NSRJDIPDBUEGHX-NHDPSOOVSA-N	-1	1	483.546	4.670	40	30		JJEBMM
O=C([O-])c1cc(/N=C\c2cc(Br)cc(I)c2O)ccc1Cl	ZINC000409099688	570128012	/nfs/dbraw/zinc/12/80/12/570128012.db2.gz	SANVQTPMGPPNCV-FXBPXSCXSA-N	-1	1	480.483	4.862	40	30		JJEBMM
Cc1n[nH]c(SC(=Cc2cc(Br)ccc2OCc2ccccc2C#N)C(=O)[O-])n1	ZINC000409195880	570163403	/nfs/dbraw/zinc/16/34/03/570163403.db2.gz	WXGZHAISXPJKOU-NVMNQCDNSA-N	-1	1	471.336	4.544	40	30		JJEBMM
Cc1nc(SC(=Cc2cc(Br)ccc2OCc2ccccc2C#N)C(=O)[O-])n[nH]1	ZINC000409195880	570163405	/nfs/dbraw/zinc/16/34/05/570163405.db2.gz	WXGZHAISXPJKOU-NVMNQCDNSA-N	-1	1	471.336	4.544	40	30		JJEBMM
O=C(COc1c(Br)cc(Br)cc1/C=N\[O-])Nc1ccccc1Cl	ZINC000409259539	570187338	/nfs/dbraw/zinc/18/73/38/570187338.db2.gz	AIZJUUISAAKVRA-GXHLCREISA-N	-1	1	462.525	4.691	40	30		JJEBMM
C=CCSc1nc2ccc(NC(=O)CSc3nnc(NN=C(C)c4ccccn4)[n-]3)cc2s1	ZINC000035669752	519081853	/nfs/dbraw/zinc/08/18/53/519081853.db2.gz	YYZALGAZBPJQPD-LGJNPRDNSA-N	-1	1	496.647	4.654	40	30		JJEBMM
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1OC	ZINC000013425484	555399663	/nfs/dbraw/zinc/39/96/63/555399663.db2.gz	WCZPLCUXTAOLLY-JOCHJYFZSA-N	-1	1	487.936	4.581	40	30		JJEBMM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NC2CCCCc3ccccc32)c([N+](=O)[O-])c1	ZINC000014358871	555797758	/nfs/dbraw/zinc/79/77/58/555797758.db2.gz	NETYSOBLXXUSEK-QQTULTPQSA-N	-1	1	494.529	4.636	40	30		JJEBMM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1	ZINC000026120653	556249251	/nfs/dbraw/zinc/24/92/51/556249251.db2.gz	INFQRGLXZFYPAT-UHFFFAOYSA-N	-1	1	460.621	4.790	40	30		JJEBMM
CCCCCOc1cc(N(CC)CC)ccc1/C=c1/sc(=C(C#N)C#N)nc1-c1ccc([O-])cc1	ZINC000035196361	569677943	/nfs/dbraw/zinc/67/79/43/569677943.db2.gz	AZPAAEZFYGYSSL-WGOQTCKBSA-N	-1	1	486.641	4.958	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)s1	ZINC000223781033	569923103	/nfs/dbraw/zinc/92/31/03/569923103.db2.gz	BTEKSCNAPOTOKO-UHFFFAOYSA-N	-1	1	466.997	4.523	40	30		JJEBMM
C#CCOc1ccc2ccccc2c1C=C(Sc1nc(-c2cc(OC)cc(OC)c2)n[nH]1)C(=O)[O-]	ZINC000408634022	569984937	/nfs/dbraw/zinc/98/49/37/569984937.db2.gz	RBVMTAYURREIMQ-HAHDFKILSA-N	-1	1	487.537	4.872	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)s1	ZINC000225601551	570008700	/nfs/dbraw/zinc/00/87/00/570008700.db2.gz	ALFUIGMTJNMTLY-UHFFFAOYSA-N	-1	1	474.633	4.795	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408901412	570068719	/nfs/dbraw/zinc/06/87/19/570068719.db2.gz	FBFDEWYLOCTMOB-HZHRSRAPSA-N	-1	1	451.551	4.656	40	30		JJEBMM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O	ZINC000409064083	570115750	/nfs/dbraw/zinc/11/57/50/570115750.db2.gz	BNIGLEFWNPHRCY-UHFFFAOYSA-N	-1	1	450.318	4.587	40	30		JJEBMM
COc1cc(/C=N/[O-])cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409079146	570120961	/nfs/dbraw/zinc/12/09/61/570120961.db2.gz	KREMEQNQRDOPCM-IFRROFPPSA-N	-1	1	482.152	4.827	40	30		JJEBMM
O=C([O-])COc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl	ZINC000409099199	570127703	/nfs/dbraw/zinc/12/77/03/570127703.db2.gz	PQAZREMATACHHO-GEVRCRHISA-N	-1	1	452.172	4.830	40	30		JJEBMM
Cc1n[nH]c(SC(=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)[O-])n1	ZINC000409190061	570161656	/nfs/dbraw/zinc/16/16/56/570161656.db2.gz	VLRAFZOXVCCOTL-NVMNQCDNSA-N	-1	1	471.336	4.544	40	30		JJEBMM
Cc1nc(SC(=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000409190061	570161657	/nfs/dbraw/zinc/16/16/57/570161657.db2.gz	VLRAFZOXVCCOTL-NVMNQCDNSA-N	-1	1	471.336	4.544	40	30		JJEBMM
Cc1n[nH]c(SC(=Cc2ccc(OCc3ccc(C#N)cc3)c(Br)c2)C(=O)[O-])n1	ZINC000409194577	570163064	/nfs/dbraw/zinc/16/30/64/570163064.db2.gz	PGARTISGIWWCMB-NVMNQCDNSA-N	-1	1	471.336	4.544	40	30		JJEBMM
Cc1nc(SC(=Cc2ccc(OCc3ccc(C#N)cc3)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000409194577	570163065	/nfs/dbraw/zinc/16/30/65/570163065.db2.gz	PGARTISGIWWCMB-NVMNQCDNSA-N	-1	1	471.336	4.544	40	30		JJEBMM
C=CCN1C(=O)C(=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000016249800	518823642	/nfs/dbraw/zinc/82/36/42/518823642.db2.gz	NXYZHOZMKKFNCW-DEDYPNTBSA-N	-1	1	460.515	4.559	40	30		JJEBMM
COc1ccc(C(=O)C=CNc2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000013372199	555392909	/nfs/dbraw/zinc/39/29/09/555392909.db2.gz	NELQFGPUTIYUOL-PFONDFGASA-N	-1	1	452.532	4.622	40	30		JJEBMM
C=CCOc1c(Br)cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc1OC	ZINC000022111387	555878691	/nfs/dbraw/zinc/87/86/91/555878691.db2.gz	NELINKLSFWVEMF-UHFFFAOYSA-N	-1	1	477.384	4.696	40	30		JJEBMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NC3=CC(C)CC(C)(C)C3)c([N+](=O)[O-])c2)cc1	ZINC000012546615	556022637	/nfs/dbraw/zinc/02/26/37/556022637.db2.gz	HOCIOJOUYSNKHR-HAVVHWLPSA-N	-1	1	458.540	4.938	40	30		JJEBMM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1[O-]	ZINC000038162394	569799542	/nfs/dbraw/zinc/79/95/42/569799542.db2.gz	VMXRRYQHFAICLG-YAXRCOADSA-N	-1	1	450.470	4.935	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)[N-]C1=S	ZINC000111507774	569860969	/nfs/dbraw/zinc/86/09/69/569860969.db2.gz	IFLUDRQGJPDTAF-UDWIEESQSA-N	-1	1	492.984	4.894	40	30		JJEBMM
O=[N+]([O-])c1ccc(Oc2c(Br)cc(/C=N/[O-])cc2Br)c([N+](=O)[O-])c1	ZINC000220038401	569883587	/nfs/dbraw/zinc/88/35/87/569883587.db2.gz	YCGREBOHPCVCBU-OMCISZLKSA-N	-1	1	461.022	4.628	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)s1	ZINC000223240187	569904541	/nfs/dbraw/zinc/90/45/41/569904541.db2.gz	ZPTZCKKMYNJEIE-UHFFFAOYSA-N	-1	1	466.997	4.523	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)s1	ZINC000224783661	569957448	/nfs/dbraw/zinc/95/74/48/569957448.db2.gz	GVBGSJMRJCGBBV-UHFFFAOYSA-N	-1	1	474.633	4.795	40	30		JJEBMM
CC/N=C1\S/C(=C\c2cc(OCC)c([O-])c(Br)c2Br)C(=O)N1CC	ZINC000408850338	570055383	/nfs/dbraw/zinc/05/53/83/570055383.db2.gz	LQVXNCWLMFVXLN-OLXGEXDQSA-N	-1	1	478.206	4.628	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C(=O)[N-]C1=S	ZINC000408903590	570069976	/nfs/dbraw/zinc/06/99/76/570069976.db2.gz	TXTHTISTQOHKMS-MHWRWJLKSA-N	-1	1	491.396	4.784	40	30		JJEBMM
CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Cl)c([O-])c(OCC)c2)C1=O	ZINC000409052251	570110321	/nfs/dbraw/zinc/11/03/21/570110321.db2.gz	GVRWADYOQKOLNA-PDGQHHTCSA-N	-1	1	487.961	4.614	40	30		JJEBMM
Cc1ccc(C(=O)[O-])cc1/N=C\c1cc(Br)cc(I)c1O	ZINC000409097119	570127107	/nfs/dbraw/zinc/12/71/07/570127107.db2.gz	FTGXKQAOLLAKDX-WSVATBPTSA-N	-1	1	460.065	4.517	40	30		JJEBMM
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=N\[O-])c1	ZINC000409268506	570188890	/nfs/dbraw/zinc/18/88/90/570188890.db2.gz	UTVXBXHMYWZEGD-ZBKNUEDVSA-N	-1	1	456.134	4.654	40	30		JJEBMM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc([O-])c(Br)c1	ZINC000409296182	570195327	/nfs/dbraw/zinc/19/53/27/570195327.db2.gz	HJBRRXSWNQCRCV-UHFFFAOYSA-N	-1	1	479.172	4.807	40	30		JJEBMM
CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1ccc2c(c1)OCO2	ZINC000012654707	195077579	/nfs/dbraw/zinc/07/75/79/195077579.db2.gz	MSCZVSCMNACEAG-YDZHTSKRSA-N	-1	1	488.909	4.614	40	30		JJEBMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1	ZINC000096398885	533415838	/nfs/dbraw/zinc/41/58/38/533415838.db2.gz	FSCGXWGDGIAPAA-OYKKKHCWSA-N	-1	1	476.461	4.833	40	30		JJEBMM
COc1cc(Br)c(Br)c(/C=N/c2ccc([N+](=O)[O-])cc2OC)c1[O-]	ZINC000016195914	522021323	/nfs/dbraw/zinc/02/13/23/522021323.db2.gz	MNLMXQHXDYNGIA-CNHKJKLMSA-N	-1	1	460.078	4.593	40	30		JJEBMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)cc1	ZINC000009335525	524692332	/nfs/dbraw/zinc/69/23/32/524692332.db2.gz	LTKVMZAHSFLFIS-FSJBWODESA-N	-1	1	478.889	4.643	40	30		JJEBMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NC3=CC(C)CC(C)(C)C3)c([N+](=O)[O-])c2)cc1	ZINC000033040417	524693002	/nfs/dbraw/zinc/69/30/02/524693002.db2.gz	HOCIOJOUYSNKHR-QJOMJCCJSA-N	-1	1	458.540	4.938	40	30		JJEBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(N=NC(C)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)c(C)c1	ZINC000012532529	556003369	/nfs/dbraw/zinc/00/33/69/556003369.db2.gz	BJNRCPJNBXFWPJ-LFVJCYFKSA-N	-1	1	482.518	4.577	40	30		JJEBMM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(Br)c([O-])c(Br)c2)c1O	ZINC000038182145	569800521	/nfs/dbraw/zinc/80/05/21/569800521.db2.gz	VSRQZTSXWDKTSW-CNHKJKLMSA-N	-1	1	460.078	4.680	40	30		JJEBMM
C=CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)s1	ZINC000224901256	569962447	/nfs/dbraw/zinc/96/24/47/569962447.db2.gz	FSNZBZFGIZCPFE-UHFFFAOYSA-N	-1	1	474.633	4.795	40	30		JJEBMM
O=[N+]([O-])c1ccccc1-c1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1	ZINC000408725199	570027869	/nfs/dbraw/zinc/02/78/69/570027869.db2.gz	DKALGLWGEMTTAA-WPWMEQJKSA-N	-1	1	492.499	4.817	40	30		JJEBMM
CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1C#N	ZINC000408750158	570033840	/nfs/dbraw/zinc/03/38/40/570033840.db2.gz	KXQNOLAVCZWCRM-SJORKVTESA-N	-1	1	495.630	4.572	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000408903329	570069834	/nfs/dbraw/zinc/06/98/34/570069834.db2.gz	QURBEIDOHGCPRK-CXUHLZMHSA-N	-1	1	461.370	4.694	40	30		JJEBMM
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1	ZINC000408545623	570192990	/nfs/dbraw/zinc/19/29/90/570192990.db2.gz	LSYFJKZXTAWUDI-UHFFFAOYSA-N	-1	1	477.586	4.581	40	30		JJEBMM
CCOc1cc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)cc(I)c1[O-]	ZINC000408563566	570202213	/nfs/dbraw/zinc/20/22/13/570202213.db2.gz	OCXFUWXFRNPZPT-UXBLZVDNSA-N	-1	1	496.244	4.855	40	30		JJEBMM
C=CCc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1OCc1ccc(Cl)cc1	ZINC000409329608	570203554	/nfs/dbraw/zinc/20/35/54/570203554.db2.gz	GEAXVPNMLOPAQE-JXMROGBWSA-N	-1	1	469.881	4.936	40	30		JJEBMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000012650513	195075752	/nfs/dbraw/zinc/07/57/52/195075752.db2.gz	PLACSIGINXCYCV-LPYMAVHISA-N	-1	1	489.897	4.793	40	30		JJEBMM
C=CCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl	ZINC000044948963	518941500	/nfs/dbraw/zinc/94/15/00/518941500.db2.gz	ZGHHRXTXRUSIGB-UHFFFAOYSA-N	-1	1	483.977	4.617	40	30		JJEBMM
CCCOC(=O)CC1=C([O-])C(=C2c3ccccc3N(Cc3ccccc3)C2=O)SC1=S	ZINC000001809253	553992433	/nfs/dbraw/zinc/99/24/33/553992433.db2.gz	FHCXXNIWQAXRKV-MBOBHEEDSA-N	-1	1	451.569	4.547	40	30		JJEBMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1	ZINC000026119240	556248289	/nfs/dbraw/zinc/24/82/89/556248289.db2.gz	QTOLGYOHYRTESL-UHFFFAOYSA-N	-1	1	460.621	4.646	40	30		JJEBMM
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000017888733	556269992	/nfs/dbraw/zinc/26/99/92/556269992.db2.gz	QIKOHEYVCVDHPM-LJQANCHMSA-N	-1	1	480.274	4.535	40	30		JJEBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccccc4C#N)o3)C(=O)[O-])n2)c1	ZINC000408633788	569984716	/nfs/dbraw/zinc/98/47/16/569984716.db2.gz	PLWMXTRRATUIDB-MTJSOVHGSA-N	-1	1	474.498	4.838	40	30		JJEBMM
Cc1cc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)ccc1[N+](=O)[O-]	ZINC000408727503	570028336	/nfs/dbraw/zinc/02/83/36/570028336.db2.gz	QBTRVFUZQXQSEV-WPWMEQJKSA-N	-1	1	498.547	4.950	40	30		JJEBMM
N#CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1	ZINC000226080864	570036497	/nfs/dbraw/zinc/03/64/97/570036497.db2.gz	FSFOZDMJGZDGIL-UHFFFAOYSA-N	-1	1	490.368	4.878	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C(=O)[N-]C1=S	ZINC000408902054	570069151	/nfs/dbraw/zinc/06/91/51/570069151.db2.gz	DZOHZQPRKPSFCT-BUVRLJJBSA-N	-1	1	489.572	4.625	40	30		JJEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1	ZINC000408902334	570069265	/nfs/dbraw/zinc/06/92/65/570069265.db2.gz	HNLWFFQFRYTXFD-KGENOOAVSA-N	-1	1	497.016	4.859	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000408903667	570070122	/nfs/dbraw/zinc/07/01/22/570070122.db2.gz	VVQSDWQKUOQCIP-OVCLIPMQSA-N	-1	1	465.333	4.524	40	30		JJEBMM
C=CCSc1nc2ccc(NC(=O)CSc3nnc(NN=C(C)c4ccccn4)[n-]3)cc2s1	ZINC000253476527	570099574	/nfs/dbraw/zinc/09/95/74/570099574.db2.gz	YYZALGAZBPJQPD-UHFFFAOYSA-N	-1	1	496.647	4.654	40	30		JJEBMM
C=CCN1C(=O)S/C(=C/c2cc(OCC)c([O-])c(Br)c2Br)C1=O	ZINC000409088412	570123895	/nfs/dbraw/zinc/12/38/95/570123895.db2.gz	JFCVVXDAVZPZEO-JXMROGBWSA-N	-1	1	463.147	4.538	40	30		JJEBMM
CC(C)CCOc1ccc([C@@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000022607031	519674997	/nfs/dbraw/zinc/67/49/97/519674997.db2.gz	BIFBDHOCMJONIK-QFIPXVFZSA-N	-1	1	462.594	4.750	40	30		JJEBMM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1c(F)cccc1Cl	ZINC000009373609	524641352	/nfs/dbraw/zinc/64/13/52/524641352.db2.gz	RCUMFOKWLIPRRF-FSJBWODESA-N	-1	1	478.889	4.643	40	30		JJEBMM
COc1cccc(C(C)N=Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])c1	ZINC000012529324	555998941	/nfs/dbraw/zinc/99/89/41/555998941.db2.gz	YLXWOXPYFNLBHG-JJIBRWJFSA-N	-1	1	468.535	4.857	40	30		JJEBMM
COc1ccccc1CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000012562596	556056837	/nfs/dbraw/zinc/05/68/37/556056837.db2.gz	AEZMLOFLPNZNQO-LPYMAVHISA-N	-1	1	460.899	4.504	40	30		JJEBMM
CCCCCN(CC)c1ccc(/C=c2/sc(=C(C#N)C#N)nc2-c2ccc([O-])cc2)c(C)c1	ZINC000035196363	569677992	/nfs/dbraw/zinc/67/79/92/569677992.db2.gz	ODOVIFZZYIBTGS-PCLIKHOPSA-N	-1	1	456.615	4.867	40	30		JJEBMM
O=[N+]([O-])c1ccc(/C=N\c2ccccc2[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1	ZINC000100732273	569768100	/nfs/dbraw/zinc/76/81/00/569768100.db2.gz	YRGGYGSVGFQOTG-JMIUGGIZSA-N	-1	1	468.338	4.519	40	30		JJEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OC)c1OCc1cccc2ccccc21	ZINC000408902204	570069095	/nfs/dbraw/zinc/06/90/95/570069095.db2.gz	LTXRFHUEQSDDRI-LFVJCYFKSA-N	-1	1	498.604	4.969	40	30		JJEBMM
O=C(COc1c(Br)cc(Br)cc1/C=N\[O-])Nc1ccc(Cl)cc1	ZINC000409248918	570185185	/nfs/dbraw/zinc/18/51/85/570185185.db2.gz	HXSMKUCLXIMBNW-GXHLCREISA-N	-1	1	462.525	4.691	40	30		JJEBMM
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\[O-])c1C	ZINC000409256915	570187152	/nfs/dbraw/zinc/18/71/52/570187152.db2.gz	OBZJMNUFWKYYFG-ZBKNUEDVSA-N	-1	1	456.134	4.654	40	30		JJEBMM
COc1cccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccnc2)c1	ZINC000006176965	524108551	/nfs/dbraw/zinc/10/85/51/524108551.db2.gz	HMOCEAVSJNUFLR-HXUWFJFHSA-N	-1	1	465.303	4.636	40	30		JJEBMM
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccnc2)c1	ZINC000006176965	524108556	/nfs/dbraw/zinc/10/85/56/524108556.db2.gz	HMOCEAVSJNUFLR-HXUWFJFHSA-N	-1	1	465.303	4.636	40	30		JJEBMM
CCCOC(=O)CC1=C([O-])C(=C2c3ccccc3N(Cc3ccccc3)C2=O)SC1=S	ZINC000001809250	553992286	/nfs/dbraw/zinc/99/22/86/553992286.db2.gz	FHCXXNIWQAXRKV-XGIGFIBQSA-N	-1	1	451.569	4.547	40	30		JJEBMM
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccc(Cl)cc2)cc1OC	ZINC000013425485	555399586	/nfs/dbraw/zinc/39/95/86/555399586.db2.gz	WCZPLCUXTAOLLY-QFIPXVFZSA-N	-1	1	487.936	4.581	40	30		JJEBMM
Cc1cc(NN=Cc2cccnc2)nc(-c2cc(Br)cc(Br)c2[O-])n1	ZINC000013548661	555490467	/nfs/dbraw/zinc/49/04/67/555490467.db2.gz	FWAAZCWWKKMKRH-ZVBGSRNCSA-N	-1	1	463.133	4.524	40	30		JJEBMM
COc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)cc(Br)c2[O-])cc1	ZINC000051376613	569852330	/nfs/dbraw/zinc/85/23/30/569852330.db2.gz	SKDVOIHXFHDEKM-UWVJOHFNSA-N	-1	1	484.173	4.729	40	30		JJEBMM
Fc1ccc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCC4)n3)o2)c(F)c1	ZINC000408603582	569970052	/nfs/dbraw/zinc/97/00/52/569970052.db2.gz	RTROUUMHBMZQQT-JFLMPSFJSA-N	-1	1	461.476	4.622	40	30		JJEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OCC)c1OCc1ccccc1Cl	ZINC000408902763	570069491	/nfs/dbraw/zinc/06/94/91/570069491.db2.gz	RDEVHBXUCPSEQT-XSFVSMFZSA-N	-1	1	497.016	4.859	40	30		JJEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)C(=O)[N-]C1=S	ZINC000408903655	570070189	/nfs/dbraw/zinc/07/01/89/570070189.db2.gz	VLRXZUOFAGGVCB-UDWIEESQSA-N	-1	1	492.984	4.894	40	30		JJEBMM
CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCC(=O)[O-]	ZINC000409108200	570131111	/nfs/dbraw/zinc/13/11/11/570131111.db2.gz	VOPJIFKAFDCMBV-LIMNOBDPSA-N	-1	1	461.780	4.575	40	30		JJEBMM