smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CNC=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1	ZINC000002263592	132250637	/nfs/dbraw/zinc/25/06/37/132250637.db2.gz	YBIKBWZZJLAYLU-XDHOZWIPSA-N	-1	0	425.510	2.742	50	10		IFCARM
COCCNC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c2ccccc21	ZINC000002314565	132252041	/nfs/dbraw/zinc/25/20/41/132252041.db2.gz	BRHHVNPNZXGTKX-CPNJWEJPSA-N	-1	0	446.463	2.911	50	10		IFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)o3)C2=O)cc1	ZINC000006645244	132278278	/nfs/dbraw/zinc/27/82/78/132278278.db2.gz	PPVDEJOQHDPPCW-WQLSENKSSA-N	-1	0	438.177	2.559	50	10		IFCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000006997591	132280223	/nfs/dbraw/zinc/28/02/23/132280223.db2.gz	APLCMUPKPPLGMV-PTNGSMBKSA-N	-1	0	446.257	2.545	50	10		IFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3OC)C2=O)cc1	ZINC000009183571	132307460	/nfs/dbraw/zinc/30/74/60/132307460.db2.gz	CWMHJSZOUOWPSS-VBKFSLOCSA-N	-1	0	426.425	2.778	50	10		IFCARM
CCN(CCO)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000009312880	132313427	/nfs/dbraw/zinc/31/34/27/132313427.db2.gz	MLLPXZJKJMRAEO-DTQAZKPQSA-N	-1	0	428.489	2.799	50	10		IFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C2=O)cc1	ZINC000009335085	132313830	/nfs/dbraw/zinc/31/38/30/132313830.db2.gz	MEJTZRSTFHVSQT-ZAQQZEBGSA-N	-1	0	435.484	2.679	50	10		IFCARM
CCn1c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2n(CC)c1=O	ZINC000013566772	132350383	/nfs/dbraw/zinc/35/03/83/132350383.db2.gz	KUZGQXWUIJXLCW-GHRIWEEISA-N	-1	0	433.468	2.730	50	10		IFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)[nH]c2ccccc21	ZINC000009209769	534457078	/nfs/dbraw/zinc/45/70/78/534457078.db2.gz	RMIIUIAESFMXBW-AQTBWJFISA-N	-1	0	446.532	2.986	50	10		IFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)cc3OC)C2=O)cc1	ZINC000012276909	521037378	/nfs/dbraw/zinc/03/73/78/521037378.db2.gz	ZOFBXDYVKLJDNS-YBEGLDIGSA-N	-1	0	426.425	2.778	50	10		IFCARM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C1=O)OCO2	ZINC000001131792	522996223	/nfs/dbraw/zinc/99/62/23/522996223.db2.gz	FLSUJOLZNPQSKR-WLRTZDKTSA-N	-1	0	445.225	2.853	50	10		IFCARM
CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C(=O)NC1=S	ZINC000009259357	556267643	/nfs/dbraw/zinc/26/76/43/556267643.db2.gz	WXRUKFONCIATKX-RIYZIHGNSA-N	-1	0	430.869	2.874	50	10		IFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(N2CCOCC2)cc1	ZINC000016212633	556590947	/nfs/dbraw/zinc/59/09/47/556590947.db2.gz	SOFYPXNKZXZNTQ-QGOAFFKASA-N	-1	0	426.860	2.755	50	10		IFCARM
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CC[NH+](C)CC2)cc1	ZINC000023080621	556997988	/nfs/dbraw/zinc/99/79/88/556997988.db2.gz	FUUGJOYMVLXLOE-KRWDZBQOSA-N	-1	0	443.038	2.735	50	10		IFCARM
C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)[N-]C(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000098086676	557122357	/nfs/dbraw/zinc/12/23/57/557122357.db2.gz	CJGJCCVNKMTFID-GPLLRDDGSA-N	-1	0	437.427	2.858	50	10		IFCARM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000096699264	557204484	/nfs/dbraw/zinc/20/44/84/557204484.db2.gz	FQXJCSPLPHEHCQ-MHWRWJLKSA-N	-1	0	428.416	2.556	50	10		IFCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000000854769	557831170	/nfs/dbraw/zinc/83/11/70/557831170.db2.gz	FMJSHZYQFWYKTG-AQTBWJFISA-N	-1	0	428.286	2.747	50	10		IFCARM
CC(=O)OCCSc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC000009310662	569521750	/nfs/dbraw/zinc/52/17/50/569521750.db2.gz	NOCGQFJDYVZWTL-NTUHNPAUSA-N	-1	0	442.496	2.536	50	10		IFCARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S	ZINC000009419126	569532500	/nfs/dbraw/zinc/53/25/00/569532500.db2.gz	BHIAVBCENULYJH-NHKNYXOTSA-N	-1	0	446.506	2.610	50	10		IFCARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	ZINC000009816113	569569190	/nfs/dbraw/zinc/56/91/90/569569190.db2.gz	HEJXJVKDZHQQQE-UHFFFAOYSA-N	-1	0	443.411	2.584	50	10		IFCARM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(I)o1	ZINC000001211278	132239826	/nfs/dbraw/zinc/23/98/26/132239826.db2.gz	VWXDJZOLXZGEHR-YRNVUSSQSA-N	-1	0	426.141	2.690	50	10		IFCARM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000002305891	132251662	/nfs/dbraw/zinc/25/16/62/132251662.db2.gz	ZVVBXGFHIDNLGW-RVDMUPIBSA-N	-1	0	446.257	2.545	50	10		IFCARM
COc1cc(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC	ZINC000002613104	132255272	/nfs/dbraw/zinc/25/52/72/132255272.db2.gz	XPSAAFLSRFGEAS-RVDMUPIBSA-N	-1	0	445.859	2.622	50	10		IFCARM
CCOc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)C(=O)[N-]C2=S)cc1	ZINC000008400747	132281435	/nfs/dbraw/zinc/28/14/35/132281435.db2.gz	HRUPYIXJNYIOQT-NVNXTCNLSA-N	-1	0	426.450	2.654	50	10		IFCARM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccccc3OC)C1=O)OCO2	ZINC000009323209	132313739	/nfs/dbraw/zinc/31/37/39/132313739.db2.gz	LIECAHXHRRSEFF-JYRVWZFOSA-N	-1	0	426.450	2.654	50	10		IFCARM
COc1ccccc1N1C(=O)C(=CNNC(=S)Nc2ccccc2)C(=O)[N-]C1=S	ZINC000013687967	132353581	/nfs/dbraw/zinc/35/35/81/132353581.db2.gz	AHAXSLSJKQQLLH-ACCUITESSA-N	-1	0	427.511	2.658	50	10		IFCARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000009259406	535689359	/nfs/dbraw/zinc/68/93/59/535689359.db2.gz	IIEXKAZWURRLGX-BOPFTXTBSA-N	-1	0	428.441	2.599	50	10		IFCARM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C1=O)OCO2	ZINC000014010850	536888961	/nfs/dbraw/zinc/88/89/61/536888961.db2.gz	FLSUJOLZNPQSKR-ACAGNQJTSA-N	-1	0	445.225	2.853	50	10		IFCARM
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000001774488	555714056	/nfs/dbraw/zinc/71/40/56/555714056.db2.gz	YLSWTGHHMBMISW-NTEUORMPSA-N	-1	0	440.480	2.944	50	10		IFCARM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1	ZINC000009259574	556267763	/nfs/dbraw/zinc/26/77/63/556267763.db2.gz	KIFBFMQCRFFKLE-UHFFFAOYSA-N	-1	0	446.213	2.686	50	10		IFCARM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)c1O	ZINC000013941994	556338863	/nfs/dbraw/zinc/33/88/63/556338863.db2.gz	ALVVVZQYAXGDSD-QPEQYQDCSA-N	-1	0	434.202	2.533	50	10		IFCARM
CN(C)c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)cn1	ZINC000072311857	556591687	/nfs/dbraw/zinc/59/16/87/556591687.db2.gz	XXMBIWHYVQGNQZ-UHFFFAOYSA-N	-1	0	432.527	2.646	50	10		IFCARM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1O	ZINC000100925619	557202418	/nfs/dbraw/zinc/20/24/18/557202418.db2.gz	RVLAAWXBUNQOMC-PDGQHHTCSA-N	-1	0	430.464	2.963	50	10		IFCARM
CCN(CC)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1	ZINC000101762363	557297190	/nfs/dbraw/zinc/29/71/90/557297190.db2.gz	YEBBWPOIYOVQSU-LJQANCHMSA-N	-1	0	433.512	2.575	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1O	ZINC000015769131	557463719	/nfs/dbraw/zinc/46/37/19/557463719.db2.gz	UZVWFYFKOBMNOU-IZZDOVSWSA-N	-1	0	432.816	2.738	50	10		IFCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCCC3=CCCCC3)C2=O)cc1OC	ZINC000006092010	568824237	/nfs/dbraw/zinc/82/42/37/568824237.db2.gz	LWOMOJXTYIMZHB-SDXDJHTJSA-N	-1	0	427.501	2.689	50	10		IFCARM
COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1O	ZINC000001811848	568915440	/nfs/dbraw/zinc/91/54/40/568915440.db2.gz	GSKGEQJPCDEOAS-DHDCSXOGSA-N	-1	0	431.451	2.855	50	10		IFCARM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Cl)cc(Cl)c2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000247978388	568918794	/nfs/dbraw/zinc/91/87/94/568918794.db2.gz	WBWVRQXTMKZDIX-ODCFSMADSA-N	-1	0	435.263	2.992	50	10		IFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNCCc3c[nH]c4ccc(O)cc34)C2=O)cc1	ZINC000002266112	569216238	/nfs/dbraw/zinc/21/62/38/569216238.db2.gz	KPCNOAITMYWQLD-CPNJWEJPSA-N	-1	0	434.452	2.571	50	10		IFCARM
COc1ccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCN(CCO)CC3)c2=O)cc1	ZINC000020439676	569365679	/nfs/dbraw/zinc/36/56/79/569365679.db2.gz	DBDXXVMKHMWYDX-UHFFFAOYSA-N	-1	0	440.496	2.718	50	10		IFCARM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1	ZINC000002999275	569435051	/nfs/dbraw/zinc/43/50/51/569435051.db2.gz	ROPBWQPNQFXNSW-GDNBJRDFSA-N	-1	0	444.285	2.763	50	10		IFCARM
CN(C)c1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000067245515	569465896	/nfs/dbraw/zinc/46/58/96/569465896.db2.gz	FSLBJAYCGSJPGG-UHFFFAOYSA-N	-1	0	433.921	2.860	50	10		IFCARM
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C(=O)[O-])CC3)C2=O)cc1	ZINC000009042137	569497711	/nfs/dbraw/zinc/49/77/11/569497711.db2.gz	UICRQGGPTYDUCP-LGMDPLHJSA-N	-1	0	448.566	3.000	50	10		IFCARM
COc1cccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2=O)c1	ZINC000009252585	569516053	/nfs/dbraw/zinc/51/60/53/569516053.db2.gz	AJKKNLCWHVXPFZ-IEMQHYRPSA-N	-1	0	434.539	2.608	50	10		IFCARM
COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(C(=O)[O-])CC3)C2=O)c1	ZINC000009302996	569520980	/nfs/dbraw/zinc/52/09/80/569520980.db2.gz	YSIDFGUDNAYHAB-VBKFSLOCSA-N	-1	0	434.539	2.610	50	10		IFCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000002796100	132257133	/nfs/dbraw/zinc/25/71/33/132257133.db2.gz	FMJSHZYQFWYKTG-QGOAFFKASA-N	-1	0	428.286	2.747	50	10		IFCARM
CCN(CCO)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1	ZINC000009461962	132318223	/nfs/dbraw/zinc/31/82/23/132318223.db2.gz	OVRNYYWIUBDLND-DTQAZKPQSA-N	-1	0	444.944	2.902	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc(Br)c1O	ZINC000001066717	521963088	/nfs/dbraw/zinc/96/30/88/521963088.db2.gz	OVSQLJJBIKHKMQ-YRNVUSSQSA-N	-1	0	447.241	2.838	50	10		IFCARM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000001140035	526891495	/nfs/dbraw/zinc/89/14/95/526891495.db2.gz	HHDZNJFBEXSFND-NTUHNPAUSA-N	-1	0	434.235	2.524	50	10		IFCARM
O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc2nsnc21	ZINC000019079832	527253339	/nfs/dbraw/zinc/25/33/39/527253339.db2.gz	FZCITLPZUBRELQ-UHFFFAOYSA-N	-1	0	438.556	2.667	50	10		IFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(Br)c1OC(C)=O	ZINC000000666813	555528949	/nfs/dbraw/zinc/52/89/49/555528949.db2.gz	ZSFBNUSBGFKZDG-AUWJEWJLSA-N	-1	0	449.232	2.984	50	10		IFCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1	ZINC000001197302	555677364	/nfs/dbraw/zinc/67/73/64/555677364.db2.gz	RPVQICGYZWBTJY-MKMNVTDBSA-N	-1	0	425.353	2.834	50	10		IFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)cc1	ZINC000004456495	555995327	/nfs/dbraw/zinc/99/53/27/555995327.db2.gz	YDEQUKFXBKEIQF-MLPAPPSSSA-N	-1	0	445.225	2.853	50	10		IFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)c(OC)c1OC	ZINC000013774307	556306983	/nfs/dbraw/zinc/30/69/83/556306983.db2.gz	JKOJUUGCBOAGBC-FOWTUZBSSA-N	-1	0	428.416	2.556	50	10		IFCARM
CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000015658662	556541288	/nfs/dbraw/zinc/54/12/88/556541288.db2.gz	UMCVUTYZEQPCDP-GDNBJRDFSA-N	-1	0	431.246	2.885	50	10		IFCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc(I)c1	ZINC000015836407	556555578	/nfs/dbraw/zinc/55/55/78/556555578.db2.gz	SFBYPVUDAQAASF-OVCLIPMQSA-N	-1	0	449.248	2.790	50	10		IFCARM
CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000016736677	556633642	/nfs/dbraw/zinc/63/36/42/556633642.db2.gz	DHQKVNCXIACTCN-ZROIWOOFSA-N	-1	0	446.554	2.891	50	10		IFCARM
CCN(CC)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1	ZINC000101762806	557297531	/nfs/dbraw/zinc/29/75/31/557297531.db2.gz	NPNFSJSSSKIUDI-KRWDZBQOSA-N	-1	0	449.511	2.525	50	10		IFCARM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1O	ZINC000000837885	557338195	/nfs/dbraw/zinc/33/81/95/557338195.db2.gz	VQZXPZCIKVNYRF-BOPFTXTBSA-N	-1	0	436.855	2.999	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1cc(F)c(F)cc1Cl	ZINC000001032032	568653644	/nfs/dbraw/zinc/65/36/44/568653644.db2.gz	HTKRAUNYCJTFII-UHFFFAOYSA-N	-1	0	436.754	2.595	50	10		IFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	ZINC000001169931	568684088	/nfs/dbraw/zinc/68/40/88/568684088.db2.gz	ZATZMBSIBMWDMF-GXDHUFHOSA-N	-1	0	446.257	2.545	50	10		IFCARM
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000008821506	569477145	/nfs/dbraw/zinc/47/71/45/569477145.db2.gz	HPKPVTLQTPMKAG-NTEUORMPSA-N	-1	0	440.480	2.944	50	10		IFCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000001172865	132238297	/nfs/dbraw/zinc/23/82/97/132238297.db2.gz	APLCMUPKPPLGMV-RVDMUPIBSA-N	-1	0	446.257	2.545	50	10		IFCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)OC)c4ccccc34)C2=O)c1	ZINC000002227972	132249395	/nfs/dbraw/zinc/24/93/95/132249395.db2.gz	RZWNSWDFAWVZAL-YBFXNURJSA-N	-1	0	447.447	2.879	50	10		IFCARM
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)[N-]C2=S)cc1	ZINC000001197711	536658076	/nfs/dbraw/zinc/65/80/76/536658076.db2.gz	SUBHBOXPYJUTGS-RVDMUPIBSA-N	-1	0	428.466	2.552	50	10		IFCARM
COc1ccc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)c(OC)c1	ZINC000013768302	556303987	/nfs/dbraw/zinc/30/39/87/556303987.db2.gz	PTNUQFSBKMUNGG-YBEGLDIGSA-N	-1	0	436.536	2.799	50	10		IFCARM
[O-]c1c(Br)cc(Br)cc1C(N1CCOCC1)N1CCOCC1	ZINC000019324147	556575773	/nfs/dbraw/zinc/57/57/73/556575773.db2.gz	WPSUHYFMDUOCKJ-UHFFFAOYSA-N	-1	0	436.144	2.580	50	10		IFCARM
C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000017100288	556665159	/nfs/dbraw/zinc/66/51/59/556665159.db2.gz	PGPPPILUGRHRBJ-CYBMUJFWSA-N	-1	0	436.515	2.587	50	10		IFCARM
C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000017100290	556665418	/nfs/dbraw/zinc/66/54/18/556665418.db2.gz	PGPPPILUGRHRBJ-ZDUSSCGKSA-N	-1	0	436.515	2.587	50	10		IFCARM
CCOc1ccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)cc1	ZINC000018208276	557251996	/nfs/dbraw/zinc/25/19/96/557251996.db2.gz	ATJHOEXCCSPXCB-DYGKOUCMSA-N	-1	0	448.504	2.798	50	10		IFCARM
CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cc([N+](=O)[O-])cc(OC)c1[O-]	ZINC000101135815	557283642	/nfs/dbraw/zinc/28/36/42/557283642.db2.gz	VFILTEKKFIESET-KRWDZBQOSA-N	-1	0	429.454	2.802	50	10		IFCARM
CCN(CC)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1	ZINC000101762811	557297621	/nfs/dbraw/zinc/29/76/21/557297621.db2.gz	NPNFSJSSSKIUDI-QGZVFWFLSA-N	-1	0	449.511	2.525	50	10		IFCARM
COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)NC1=S	ZINC000033460288	557400189	/nfs/dbraw/zinc/40/01/89/557400189.db2.gz	JKHQNIAUCRTAJR-BOPFTXTBSA-N	-1	0	427.482	2.906	50	10		IFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(OC)c3O)C2=O)cc1	ZINC000015722735	557463399	/nfs/dbraw/zinc/46/33/99/557463399.db2.gz	NCCJNUIEXMGFFS-ZSOIEALJSA-N	-1	0	447.241	2.838	50	10		IFCARM
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036207470	568973181	/nfs/dbraw/zinc/97/31/81/568973181.db2.gz	BFHIAPHKEJCZID-NTEUORMPSA-N	-1	0	431.451	2.855	50	10		IFCARM
COc1ccc(OCCOc2c(Cl)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OC)cc1	ZINC000002977950	569433645	/nfs/dbraw/zinc/43/36/45/569433645.db2.gz	AVKAMQQAQPABIL-UHFFFAOYSA-N	-1	0	446.843	2.564	50	10		IFCARM
O=C([O-])CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2Oc2ccccc2)SC1=S	ZINC000040221247	569496539	/nfs/dbraw/zinc/49/65/39/569496539.db2.gz	ZVEUOSSWRFPTGN-UVTDQMKNSA-N	-1	0	439.474	2.773	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1	ZINC000009246223	569515445	/nfs/dbraw/zinc/51/54/45/569515445.db2.gz	SJSUJFOIYKFDJG-UHFFFAOYSA-N	-1	0	430.844	2.864	50	10		IFCARM
COc1cccc(/C=C2\SC(=S)N([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2=O)c1	ZINC000009252587	569516006	/nfs/dbraw/zinc/51/60/06/569516006.db2.gz	AJKKNLCWHVXPFZ-COOUDCDJSA-N	-1	0	434.539	2.608	50	10		IFCARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S	ZINC000009419127	569532484	/nfs/dbraw/zinc/53/24/84/569532484.db2.gz	BHIAVBCENULYJH-UBYXTUIOSA-N	-1	0	446.506	2.610	50	10		IFCARM
COc1ccccc1OCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000009434694	569534761	/nfs/dbraw/zinc/53/47/61/569534761.db2.gz	LODNALOKXZIXBN-UHFFFAOYSA-N	-1	0	446.843	2.564	50	10		IFCARM
COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-]	ZINC000009540334	569545791	/nfs/dbraw/zinc/54/57/91/569545791.db2.gz	BWPYRIKXZDXVEF-SECBINFHSA-N	-1	0	425.488	2.689	50	10		IFCARM
CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(c3ccc(CC(=O)[O-])cc3)C2=O)C1=O	ZINC000009972497	569576375	/nfs/dbraw/zinc/57/63/75/569576375.db2.gz	KOJUUXYVSRGNLL-ZCXUNETKSA-N	-1	0	438.486	2.983	50	10		IFCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1O	ZINC000001178692	132238418	/nfs/dbraw/zinc/23/84/18/132238418.db2.gz	AGOHGACWFDBJQN-POHAHGRESA-N	-1	0	435.205	2.969	50	10		IFCARM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=CNCCc1ccccc1	ZINC000001901520	132247429	/nfs/dbraw/zinc/24/74/29/132247429.db2.gz	PHANADUYTJLDIF-FOWTUZBSSA-N	-1	0	430.327	2.913	50	10		IFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)cc3C)C2=O)c(OC)c1	ZINC000009427077	132316785	/nfs/dbraw/zinc/31/67/85/132316785.db2.gz	UKLXZEBJXWSPRW-OQLLNIDSSA-N	-1	0	426.425	2.696	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1O	ZINC000018173404	521963730	/nfs/dbraw/zinc/96/37/30/521963730.db2.gz	WKAOYBPTTVWZQO-NTUHNPAUSA-N	-1	0	433.283	2.995	50	10		IFCARM
COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3O)C(=O)[N-]C2=S)cc1	ZINC000009934515	536658053	/nfs/dbraw/zinc/65/80/53/536658053.db2.gz	ZNVAEOCWTMOCSP-ZROIWOOFSA-N	-1	0	433.283	2.995	50	10		IFCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000001209419	555681633	/nfs/dbraw/zinc/68/16/33/555681633.db2.gz	OGLNSTUNDITOAD-LFYBBSHMSA-N	-1	0	432.186	2.547	50	10		IFCARM
COCCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2C1=O	ZINC000002862644	555845803	/nfs/dbraw/zinc/84/58/03/555845803.db2.gz	UYXVTEFREIABKL-UHFFFAOYSA-N	-1	0	447.241	2.642	50	10		IFCARM
CCOc1cc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)ccc1O	ZINC000013776516	556307554	/nfs/dbraw/zinc/30/75/54/556307554.db2.gz	CGCVFSLDFVRVBG-WJDWOHSUSA-N	-1	0	436.536	2.886	50	10		IFCARM
CCOC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21	ZINC000017299976	556674847	/nfs/dbraw/zinc/67/48/47/556674847.db2.gz	PMHPGNOXWIANKI-XDHOZWIPSA-N	-1	0	431.448	2.866	50	10		IFCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(N2CCN(C)[C@H]([N+](=O)[O-])C2)cc1	ZINC000019323404	556736248	/nfs/dbraw/zinc/73/62/48/556736248.db2.gz	WBENBUAPLJTUQS-GUBQRQEFSA-N	-1	0	449.467	2.546	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc(F)c1	ZINC000001175553	557120091	/nfs/dbraw/zinc/12/00/91/557120091.db2.gz	BSTINMYZLVVHCP-UHFFFAOYSA-N	-1	0	449.232	2.925	50	10		IFCARM
Cn1c(=O)c(C2=NNC(=O)C2=CNc2ccc(Br)cc2)c([O-])c2ccccc21	ZINC000100261046	557256118	/nfs/dbraw/zinc/25/61/18/557256118.db2.gz	KXKUAHXCTPRBGS-UVTDQMKNSA-N	-1	0	439.269	2.837	50	10		IFCARM
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000103861804	557442282	/nfs/dbraw/zinc/44/22/82/557442282.db2.gz	QLLWECDHBOCTHF-MHWRWJLKSA-N	-1	0	440.818	2.830	50	10		IFCARM
CO[C@@H]1C=C[C@](CNC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[O-])(OC)O1	ZINC000229988375	557834761	/nfs/dbraw/zinc/83/47/61/557834761.db2.gz	VEMFSXVFGJTWFP-ABSPLZNHSA-N	-1	0	435.476	2.612	50	10		IFCARM
O=C([O-])CCCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S	ZINC000001765984	568905623	/nfs/dbraw/zinc/90/56/23/568905623.db2.gz	QNOCFQJQDFMPAT-VAWYXSNFSA-N	-1	0	427.301	2.837	50	10		IFCARM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Cl)cc(Cl)c2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000169691712	569000574	/nfs/dbraw/zinc/00/05/74/569000574.db2.gz	WBWVRQXTMKZDIX-RTEYEHBSSA-N	-1	0	435.263	2.992	50	10		IFCARM
COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)c1	ZINC000009429683	569533740	/nfs/dbraw/zinc/53/37/40/569533740.db2.gz	LHHWAPVWDFPZAP-PXNMLYILSA-N	-1	0	444.490	2.939	50	10		IFCARM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000001180197	132238643	/nfs/dbraw/zinc/23/86/43/132238643.db2.gz	NMYZVTPYHKBPJB-LICLKQGHSA-N	-1	0	438.436	2.530	50	10		IFCARM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000002994574	132260223	/nfs/dbraw/zinc/26/02/23/132260223.db2.gz	ILLIRCZEOLUGHM-LDADJPATSA-N	-1	0	441.871	2.852	50	10		IFCARM
Cc1cc(C)cc(N2C(=O)C(=CNc3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000008683607	132290250	/nfs/dbraw/zinc/29/02/50/132290250.db2.gz	WWGDTBSUCNQLMS-XSFVSMFZSA-N	-1	0	436.537	2.884	50	10		IFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)cc1	ZINC000009262427	132311583	/nfs/dbraw/zinc/31/15/83/132311583.db2.gz	NQZVDBLCAOLRGZ-QNGOZBTKSA-N	-1	0	435.480	2.897	50	10		IFCARM
COc1cccc(N2C(=O)/C(=C\c3c(OC)cc(OC)cc3OC)C(=O)[N-]C2=S)c1	ZINC000009331191	132313834	/nfs/dbraw/zinc/31/38/34/132313834.db2.gz	FZONNPKTYLZXFF-WJDWOHSUSA-N	-1	0	428.466	2.552	50	10		IFCARM
COc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)[N-]C2=S)c1	ZINC000013765958	132354287	/nfs/dbraw/zinc/35/42/87/132354287.db2.gz	JYTPXWBYWUZYDU-GDNBJRDFSA-N	-1	0	428.466	2.552	50	10		IFCARM
COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1O	ZINC000013894193	132355442	/nfs/dbraw/zinc/35/54/42/132355442.db2.gz	YRICNHJAXASDSJ-NTUHNPAUSA-N	-1	0	435.205	2.969	50	10		IFCARM
CCN1C(=O)c2cccc3cc(S(=O)(=O)Nc4ccc(O)c(C(=O)[O-])c4)cc(c32)C1=O	ZINC000035685773	521537926	/nfs/dbraw/zinc/53/79/26/521537926.db2.gz	GVWNAOFJDSAYKI-UHFFFAOYSA-N	-1	0	440.433	2.660	50	10		IFCARM
CO[C@@H]1C=C[C@](CNC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])(OC)O1	ZINC000012417902	523557671	/nfs/dbraw/zinc/55/76/71/523557671.db2.gz	VEMFSXVFGJTWFP-CBGXFDSISA-N	-1	0	435.476	2.612	50	10		IFCARM
COCC[NH+](CCOC)Cc1c([O-])ccc2c([O-])c(-c3ccc(OC)cc3)c(=O)oc21	ZINC000020650650	523717325	/nfs/dbraw/zinc/71/73/25/523717325.db2.gz	UIZDXCJJUYLLAS-UHFFFAOYSA-N	-1	0	429.469	2.975	50	10		IFCARM
COCCN1C(=O)/C(=C\c2cn(CC(=O)[O-])c3ccccc23)C(=O)N(c2ccccc2)C1=O	ZINC000009265117	536853289	/nfs/dbraw/zinc/85/32/89/536853289.db2.gz	NFXUOYIOFGEQNP-CPNJWEJPSA-N	-1	0	447.447	2.751	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1	ZINC000001196295	555676704	/nfs/dbraw/zinc/67/67/04/555676704.db2.gz	MLKJDQHQZNYSJX-UHFFFAOYSA-N	-1	0	431.242	2.786	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccccc1C	ZINC000002920072	556150388	/nfs/dbraw/zinc/15/03/88/556150388.db2.gz	YQHUQEWQYJOPAR-UHFFFAOYSA-N	-1	0	430.844	2.864	50	10		IFCARM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(NCC(C)C)nc12	ZINC000013713663	556285713	/nfs/dbraw/zinc/28/57/13/556285713.db2.gz	BMSZCJVFFUEASC-ZROIWOOFSA-N	-1	0	446.554	2.747	50	10		IFCARM
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000009434734	556291577	/nfs/dbraw/zinc/29/15/77/556291577.db2.gz	CFHQRDQAKAAPFA-UHFFFAOYSA-N	-1	0	440.477	2.571	50	10		IFCARM
CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000016805695	556643727	/nfs/dbraw/zinc/64/37/27/556643727.db2.gz	WAMCOIGATVLFAM-KAMYIIQDSA-N	-1	0	446.554	2.525	50	10		IFCARM
CC(=O)NCCc1c(C=C2C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)[nH]c2ccccc21	ZINC000017209465	557039147	/nfs/dbraw/zinc/03/91/47/557039147.db2.gz	RMBQJEOMKDSTSX-LDADJPATSA-N	-1	0	434.427	2.856	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OC(C)=O	ZINC000033333425	557118254	/nfs/dbraw/zinc/11/82/54/557118254.db2.gz	BWGCISNZZRBMKZ-RIYZIHGNSA-N	-1	0	431.242	2.844	50	10		IFCARM
CCN(CC)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1	ZINC000101762359	557297084	/nfs/dbraw/zinc/29/70/84/557297084.db2.gz	YEBBWPOIYOVQSU-IBGZPJMESA-N	-1	0	433.512	2.575	50	10		IFCARM
CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1ccc(N(C)C)cc1	ZINC000101764010	557298020	/nfs/dbraw/zinc/29/80/20/557298020.db2.gz	OFBOLUCFLDMDPB-IBGZPJMESA-N	-1	0	439.516	2.511	50	10		IFCARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCc1ccc(Br)cc1	ZINC000001175404	568735711	/nfs/dbraw/zinc/73/57/11/568735711.db2.gz	YCXIWOKNGZBPCR-UHFFFAOYSA-N	-1	0	431.242	2.786	50	10		IFCARM
COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCC(C(=O)[O-])CC2)C1=O	ZINC000009215851	569512060	/nfs/dbraw/zinc/51/20/60/569512060.db2.gz	OSWPDMFSZFFIOR-LGMDPLHJSA-N	-1	0	448.566	3.000	50	10		IFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N4CCOCC4)cc3)C2=O)cc1	ZINC000001160601	132237892	/nfs/dbraw/zinc/23/78/92/132237892.db2.gz	XKVBABVOWWJZKX-HMMYKYKNSA-N	-1	0	436.468	2.501	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1O	ZINC000002121615	132248105	/nfs/dbraw/zinc/24/81/05/132248105.db2.gz	KSQHHPRHPDCIMM-MDWZMJQESA-N	-1	0	433.283	2.995	50	10		IFCARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000003004131	132260307	/nfs/dbraw/zinc/26/03/07/132260307.db2.gz	XNFHVYURNLMVGC-ATVHPVEESA-N	-1	0	425.466	2.616	50	10		IFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)c1	ZINC000001067047	526139967	/nfs/dbraw/zinc/13/99/67/526139967.db2.gz	FRSGKDTZKJBJAZ-AWNIVKPZSA-N	-1	0	447.241	2.838	50	10		IFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000013800768	536183940	/nfs/dbraw/zinc/18/39/40/536183940.db2.gz	FGAVPIDHGNRKTC-RGEXLXHISA-N	-1	0	445.479	2.626	50	10		IFCARM
COC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)N(Cc3ccco3)C1=O)CCCC2	ZINC000015931858	556565433	/nfs/dbraw/zinc/56/54/33/556565433.db2.gz	FFDKCQKMEFNRJS-LCYFTJDESA-N	-1	0	429.454	2.581	50	10		IFCARM
CCOC(=O)COc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000016192417	556588703	/nfs/dbraw/zinc/58/87/03/556588703.db2.gz	MUJBDDJRBQDMFN-WJDWOHSUSA-N	-1	0	445.269	2.852	50	10		IFCARM
COc1ccc(Br)cc1/C=C1\SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000016729298	556631356	/nfs/dbraw/zinc/63/13/56/556631356.db2.gz	BZZRZOCZOOSENI-XFFZJAGNSA-N	-1	0	438.346	2.547	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(Br)c1OC(C)=O	ZINC000033333428	557118310	/nfs/dbraw/zinc/11/83/10/557118310.db2.gz	ZSFBNUSBGFKZDG-VGOFMYFVSA-N	-1	0	449.232	2.984	50	10		IFCARM
CN1C(=O)/C(=C2\C(=O)N(CCCC(=O)[O-])c3ccc(Br)cc32)SC1=S	ZINC000098086297	557121842	/nfs/dbraw/zinc/12/18/42/557121842.db2.gz	QMZIKRHHVMNNDU-OUKQBFOZSA-N	-1	0	441.328	2.862	50	10		IFCARM
CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cc([N+](=O)[O-])cc(OC)c1[O-]	ZINC000101135813	557283579	/nfs/dbraw/zinc/28/35/79/557283579.db2.gz	VFILTEKKFIESET-QGZVFWFLSA-N	-1	0	429.454	2.802	50	10		IFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OC	ZINC000013381977	557309550	/nfs/dbraw/zinc/30/95/50/557309550.db2.gz	GNJGNYQJOZKEOX-QPEQYQDCSA-N	-1	0	448.229	2.836	50	10		IFCARM
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000102570518	557354809	/nfs/dbraw/zinc/35/48/09/557354809.db2.gz	HNPRTACGJSEJAN-KPKJPENVSA-N	-1	0	444.205	2.937	50	10		IFCARM
COc1ccc(Br)cc1/C=C1/SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000002822665	569177409	/nfs/dbraw/zinc/17/74/09/569177409.db2.gz	BZZRZOCZOOSENI-YRNVUSSQSA-N	-1	0	438.346	2.547	50	10		IFCARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000027519513	569218102	/nfs/dbraw/zinc/21/81/02/569218102.db2.gz	JXKIUJKTEPHUQD-UHFFFAOYSA-N	-1	0	428.313	2.894	50	10		IFCARM
COc1ccccc1N1C(=O)C(=CNN2CCCC[C@H]2c2cccnc2)C(=O)[N-]C1=S	ZINC000008974639	569492899	/nfs/dbraw/zinc/49/28/99/569492899.db2.gz	HJMARDKJRNRNCR-WAIALKQBSA-N	-1	0	437.525	2.865	50	10		IFCARM
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3C(=O)[O-])C2=O)cc1	ZINC000009041911	569497558	/nfs/dbraw/zinc/49/75/58/569497558.db2.gz	BTWYWKYSCGLNQL-LZYBPNLTSA-N	-1	0	444.490	2.939	50	10		IFCARM
COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-]	ZINC000009540335	569545792	/nfs/dbraw/zinc/54/57/92/569545792.db2.gz	BWPYRIKXZDXVEF-VIFPVBQESA-N	-1	0	425.488	2.689	50	10		IFCARM
CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)C(=O)[N-]C2=S)cc1	ZINC000000686521	132229209	/nfs/dbraw/zinc/22/92/09/132229209.db2.gz	HRUPYIXJNYIOQT-OVCLIPMQSA-N	-1	0	426.450	2.654	50	10		IFCARM
COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)[N-]C1=S	ZINC000009933814	132331993	/nfs/dbraw/zinc/33/19/93/132331993.db2.gz	BPTMBNHBNXVAIA-DHZHZOJOSA-N	-1	0	433.283	2.995	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1O	ZINC000012418324	521962930	/nfs/dbraw/zinc/96/29/30/521962930.db2.gz	SYFJVFSUVUIZPZ-AWNIVKPZSA-N	-1	0	449.232	2.964	50	10		IFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1I	ZINC000001206187	536597041	/nfs/dbraw/zinc/59/70/41/536597041.db2.gz	UTCRDQXKBAVZJU-UKTHLTGXSA-N	-1	0	448.216	2.966	50	10		IFCARM
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)[N-]C2=S)cc1	ZINC000009264491	536658014	/nfs/dbraw/zinc/65/80/14/536658014.db2.gz	GOAGNOQESUPBIE-SFQUDFHCSA-N	-1	0	441.484	2.502	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002053312	555729543	/nfs/dbraw/zinc/72/95/43/555729543.db2.gz	RRSWWQRVMFTVFT-UHFFFAOYSA-N	-1	0	428.313	2.894	50	10		IFCARM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000008456889	556186269	/nfs/dbraw/zinc/18/62/69/556186269.db2.gz	XLOIOOQMHWXDSJ-BOPFTXTBSA-N	-1	0	436.855	2.999	50	10		IFCARM
CC(=O)NCCc1c(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)[nH]c2ccccc21	ZINC000013748138	556298395	/nfs/dbraw/zinc/29/83/95/556298395.db2.gz	INBMXMMAYFCFMA-CPNJWEJPSA-N	-1	0	430.464	2.713	50	10		IFCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000013572863	556523545	/nfs/dbraw/zinc/52/35/45/556523545.db2.gz	POVILOIRVWUTGL-PXNMLYILSA-N	-1	0	444.490	2.939	50	10		IFCARM
COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC(=O)c1cccc2ccccc21	ZINC000001167966	557119582	/nfs/dbraw/zinc/11/95/82/557119582.db2.gz	MMACJNANFSPPIW-UHFFFAOYSA-N	-1	0	432.457	2.982	50	10		IFCARM
CCOC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21	ZINC000000665138	557130796	/nfs/dbraw/zinc/13/07/96/557130796.db2.gz	PMHPGNOXWIANKI-UNOMPAQXSA-N	-1	0	431.448	2.866	50	10		IFCARM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(C)c2)c1=O	ZINC000100925618	557202370	/nfs/dbraw/zinc/20/23/70/557202370.db2.gz	NZTOEABWPWBTBO-BOPFTXTBSA-N	-1	0	436.855	2.999	50	10		IFCARM
CNC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)CCCC2	ZINC000011615639	557211577	/nfs/dbraw/zinc/21/15/77/557211577.db2.gz	YUDSJIBEGQZZOY-UHFFFAOYSA-N	-1	0	437.543	2.754	50	10		IFCARM
CCC(=O)N[C@@H](Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)C(Cl)(Cl)Cl	ZINC000026967539	557252819	/nfs/dbraw/zinc/25/28/19/557252819.db2.gz	RIKRVPOIQODLEQ-AWEZNQCLSA-N	-1	0	434.663	2.878	50	10		IFCARM
COc1ccccc1Oc1c(C)oc2c(ccc([O-])c2CN2CCN(CCO)CC2)c1=O	ZINC000020412379	563024749	/nfs/dbraw/zinc/02/47/49/563024749.db2.gz	WUEWTPLKUVRBAB-UHFFFAOYSA-N	-1	0	440.496	2.718	50	10		IFCARM
COc1ccc(/C=C2/SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)cc1OC	ZINC000001737804	568889238	/nfs/dbraw/zinc/88/92/38/568889238.db2.gz	GTSURNPUXVKVHJ-LFIBNONCSA-N	-1	0	436.536	2.799	50	10		IFCARM
CO[C@@H]1C=C[C@](CNC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])(OC)O1	ZINC000015218358	569261330	/nfs/dbraw/zinc/26/13/30/569261330.db2.gz	VEMFSXVFGJTWFP-FELMUUKHSA-N	-1	0	435.476	2.612	50	10		IFCARM
COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)c1	ZINC000009059104	569499364	/nfs/dbraw/zinc/49/93/64/569499364.db2.gz	JAYCOHULBIZOCE-PXNMLYILSA-N	-1	0	444.490	2.939	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(F)cc1	ZINC000009434566	569534783	/nfs/dbraw/zinc/53/47/83/569534783.db2.gz	WGLIIGFNTHSRRE-UHFFFAOYSA-N	-1	0	449.232	2.925	50	10		IFCARM
COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1NC(C)=O	ZINC000009546295	569546284	/nfs/dbraw/zinc/54/62/84/569546284.db2.gz	ACMJGCNZXJXNBT-JTQLQIEISA-N	-1	0	437.543	2.740	50	10		IFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3[nH]c4ccccc4c3CCNC(C)=O)C2=O)c1	ZINC000009358655	132225359	/nfs/dbraw/zinc/22/53/59/132225359.db2.gz	OGECLJSSCYJHDS-UYRXBGFRSA-N	-1	0	446.463	2.522	50	10		IFCARM
COc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)[N-]C1=S	ZINC000009335075	132230332	/nfs/dbraw/zinc/23/03/32/132230332.db2.gz	ABHSGJDPOYIWAH-QBFSEMIESA-N	-1	0	428.466	2.552	50	10		IFCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(N2CCOCC2)cc1	ZINC000001163823	132238024	/nfs/dbraw/zinc/23/80/24/132238024.db2.gz	DSTCJHCSWPJKAU-QGOAFFKASA-N	-1	0	442.928	2.920	50	10		IFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1	ZINC000001192435	132238980	/nfs/dbraw/zinc/23/89/80/132238980.db2.gz	SOUBJJYRGSFSAY-NTUHNPAUSA-N	-1	0	447.241	2.838	50	10		IFCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(I)o1	ZINC000001211255	132239765	/nfs/dbraw/zinc/23/97/65/132239765.db2.gz	SLOYLVAXSZAHKZ-VQHVLOKHSA-N	-1	0	426.141	2.690	50	10		IFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(I)c3)C2=O)cc1	ZINC000001214549	132240043	/nfs/dbraw/zinc/24/00/43/132240043.db2.gz	OOHVQDJVRZCPQJ-MDWZMJQESA-N	-1	0	448.216	2.972	50	10		IFCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cn(C(C)=O)c4ccccc34)C2=O)c1	ZINC000002205575	132248864	/nfs/dbraw/zinc/24/88/64/132248864.db2.gz	FBWILCJFDRMGCH-LICLKQGHSA-N	-1	0	433.420	2.985	50	10		IFCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(OC)c(OC)cc2OC)C1=O	ZINC000002288528	132251206	/nfs/dbraw/zinc/25/12/06/132251206.db2.gz	ULBQPOVYDRZSEB-GXDHUFHOSA-N	-1	0	426.425	2.778	50	10		IFCARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(OC)c3)C2=O)cc1	ZINC000002810714	132257388	/nfs/dbraw/zinc/25/73/88/132257388.db2.gz	BJXREBZGLNQRKG-ATVHPVEESA-N	-1	0	425.466	2.616	50	10		IFCARM
CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000009265670	132311963	/nfs/dbraw/zinc/31/19/63/132311963.db2.gz	KWKALCWGVFZIDU-XDHOZWIPSA-N	-1	0	444.447	2.938	50	10		IFCARM
COc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(Br)c2)C(=O)[N-]C1=S	ZINC000009323537	132313852	/nfs/dbraw/zinc/31/38/52/132313852.db2.gz	BPTMBNHBNXVAIA-FLIBITNWSA-N	-1	0	433.283	2.995	50	10		IFCARM
O=C(c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1[O-])N1CCOCC1	ZINC000020677775	526932941	/nfs/dbraw/zinc/93/29/41/526932941.db2.gz	LCJQBGVVOREHLA-UHFFFAOYSA-N	-1	0	425.510	2.978	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c([N+](=O)[O-])cc1OC	ZINC000009310891	556279240	/nfs/dbraw/zinc/27/92/40/556279240.db2.gz	QYZIARDXJQGTSF-OVCLIPMQSA-N	-1	0	425.397	2.895	50	10		IFCARM
O=C([O-])COc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1	ZINC000013844696	556318814	/nfs/dbraw/zinc/31/88/14/556318814.db2.gz	OQMKZZHDILHLQM-ZHZULCJRSA-N	-1	0	437.521	2.938	50	10		IFCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1C	ZINC000006858417	556579264	/nfs/dbraw/zinc/57/92/64/556579264.db2.gz	FQWZRCKBUMWJMY-ODLFYWEKSA-N	-1	0	427.416	2.908	50	10		IFCARM
COc1ccc(NS(=O)(=O)c2cc3c(c(O)c2[O-])C(=O)c2ccccc2C3=O)cc1	ZINC000072194201	556900691	/nfs/dbraw/zinc/90/06/91/556900691.db2.gz	MUHNZLPBAUWQNQ-UHFFFAOYSA-N	-1	0	425.418	2.683	50	10		IFCARM
CCC(=O)N[C@H](Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)C(Cl)(Cl)Cl	ZINC000026967548	557253226	/nfs/dbraw/zinc/25/32/26/557253226.db2.gz	RIKRVPOIQODLEQ-CQSZACIVSA-N	-1	0	434.663	2.878	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC	ZINC000000974814	568647837	/nfs/dbraw/zinc/64/78/37/568647837.db2.gz	OEMAASGPALDBMW-RIYZIHGNSA-N	-1	0	433.258	2.936	50	10		IFCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc(I)c1	ZINC000001175201	568735714	/nfs/dbraw/zinc/73/57/14/568735714.db2.gz	SFBYPVUDAQAASF-NVNXTCNLSA-N	-1	0	449.248	2.790	50	10		IFCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000006997495	569116609	/nfs/dbraw/zinc/11/66/09/569116609.db2.gz	OGLNSTUNDITOAD-XGICHPGQSA-N	-1	0	432.186	2.547	50	10		IFCARM
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000095471493	569371988	/nfs/dbraw/zinc/37/19/88/569371988.db2.gz	HTSLMMDBBSVSGJ-ZHZULCJRSA-N	-1	0	444.488	2.565	50	10		IFCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)CCC4)C2=O)cc1OC	ZINC000009463126	569537372	/nfs/dbraw/zinc/53/73/72/569537372.db2.gz	TUBRTHFIEPVLLL-RGEXLXHISA-N	-1	0	435.480	2.809	50	10		IFCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(OC)c(OC)cc2OC)C1=O	ZINC000009310488	132231543	/nfs/dbraw/zinc/23/15/43/132231543.db2.gz	ULBQPOVYDRZSEB-UVTDQMKNSA-N	-1	0	426.425	2.778	50	10		IFCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)cc3OC)C2=O)c1	ZINC000002190859	132248541	/nfs/dbraw/zinc/24/85/41/132248541.db2.gz	HUEDMZDGAHYOLB-RIYZIHGNSA-N	-1	0	442.424	2.600	50	10		IFCARM
COC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000002908259	132258340	/nfs/dbraw/zinc/25/83/40/132258340.db2.gz	PBVOSDQLPIWHGR-OQLLNIDSSA-N	-1	0	428.372	2.893	50	10		IFCARM
CCOC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000001215036	535699250	/nfs/dbraw/zinc/69/92/50/535699250.db2.gz	RRHFKBWSKAQWDV-LFIBNONCSA-N	-1	0	428.828	2.948	50	10		IFCARM
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000001197721	536657453	/nfs/dbraw/zinc/65/74/53/536657453.db2.gz	VJYABPMSYHEKKJ-OQLLNIDSSA-N	-1	0	428.466	2.552	50	10		IFCARM
O=C([O-])C[C@@H](NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000011565556	556341861	/nfs/dbraw/zinc/34/18/61/556341861.db2.gz	NATZWYGORKYLML-GOSISDBHSA-N	-1	0	435.457	2.956	50	10		IFCARM
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C(=O)[O-])CC3)C2=O)c1	ZINC000013573267	556523794	/nfs/dbraw/zinc/52/37/94/556523794.db2.gz	GPTONYCSYISPFA-LGMDPLHJSA-N	-1	0	448.566	3.000	50	10		IFCARM
COC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000015768762	556549947	/nfs/dbraw/zinc/54/99/47/556549947.db2.gz	KIMJYSXULFQDAT-WOJGMQOQSA-N	-1	0	433.420	2.694	50	10		IFCARM
CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000033162115	557327902	/nfs/dbraw/zinc/32/79/02/557327902.db2.gz	XGUCBVURNWEFPI-GXDHUFHOSA-N	-1	0	446.554	2.891	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)cc1OCc1ccccc1F	ZINC000001134756	568662138	/nfs/dbraw/zinc/66/21/38/568662138.db2.gz	DQKLMQQRAZENAR-UHFFFAOYSA-N	-1	0	449.232	2.925	50	10		IFCARM
O=C([O-])CSc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2c1O	ZINC000001893413	568917838	/nfs/dbraw/zinc/91/78/38/568917838.db2.gz	ZMGMOZZFQRJWKX-UHFFFAOYSA-N	-1	0	445.478	2.693	50	10		IFCARM
CC(C)N1C(=O)/C(=C2\c3cc(Br)ccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000002695374	569180932	/nfs/dbraw/zinc/18/09/32/569180932.db2.gz	MKHPIXNGKPZUCH-SEYXRHQNSA-N	-1	0	441.328	2.860	50	10		IFCARM
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(O)c(C(=O)[O-])c4)ccc(c23)C1=O	ZINC000094993263	569355915	/nfs/dbraw/zinc/35/59/15/569355915.db2.gz	IYFXSVRWRTUFKP-UHFFFAOYSA-N	-1	0	440.433	2.660	50	10		IFCARM
COc1cccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCN(CCO)CC3)c2=O)c1	ZINC000020358399	569361793	/nfs/dbraw/zinc/36/17/93/569361793.db2.gz	WEFVJDHVCCOHMX-UHFFFAOYSA-N	-1	0	440.496	2.718	50	10		IFCARM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)C2=O)cc1	ZINC000008496725	569466698	/nfs/dbraw/zinc/46/66/98/569466698.db2.gz	QDVMJIFCKMYDRS-UYRXBGFRSA-N	-1	0	446.415	2.981	50	10		IFCARM
COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000008994226	569495465	/nfs/dbraw/zinc/49/54/65/569495465.db2.gz	ZUKSTBLAKGBGRK-PXNMLYILSA-N	-1	0	444.490	2.939	50	10		IFCARM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)ccc1Br	ZINC000071818269	569581954	/nfs/dbraw/zinc/58/19/54/569581954.db2.gz	SDPDPMQUGBDGIB-UHFFFAOYSA-N	-1	0	441.303	2.785	50	10		IFCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1Cl	ZINC000000686743	132229234	/nfs/dbraw/zinc/22/92/34/132229234.db2.gz	MBPVLCWVXFIYTE-RVDMUPIBSA-N	-1	0	431.901	2.909	50	10		IFCARM
COC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21	ZINC000002403476	132253997	/nfs/dbraw/zinc/25/39/97/132253997.db2.gz	IXNLPDZVWWAHSN-YVLHZVERSA-N	-1	0	437.452	2.785	50	10		IFCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1	ZINC000009076513	132302166	/nfs/dbraw/zinc/30/21/66/132302166.db2.gz	LHIYRRSFVVXXKC-NTEUORMPSA-N	-1	0	440.412	2.549	50	10		IFCARM
COc1cccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)C(=O)[N-]C2=S)c1	ZINC000013765590	132354306	/nfs/dbraw/zinc/35/43/06/132354306.db2.gz	RSCIBTAXPDYOAF-NVNXTCNLSA-N	-1	0	428.466	2.552	50	10		IFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)[nH]c2ccccc21	ZINC000002397081	534457248	/nfs/dbraw/zinc/45/72/48/534457248.db2.gz	UHYHZFAKGWNLFI-VBKFSLOCSA-N	-1	0	434.427	2.652	50	10		IFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)[nH]c2ccccc21	ZINC000002210380	534457307	/nfs/dbraw/zinc/45/73/07/534457307.db2.gz	TXVMNLXUBMXGON-AQTBWJFISA-N	-1	0	432.505	2.678	50	10		IFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCCc1nc(-c2ccccc2)no1	ZINC000020650539	527048348	/nfs/dbraw/zinc/04/83/48/527048348.db2.gz	ZWKAPRZHVILOED-FOWTUZBSSA-N	-1	0	437.843	2.689	50	10		IFCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1O	ZINC000001175556	535658360	/nfs/dbraw/zinc/65/83/60/535658360.db2.gz	GFRMANGEYKMEDZ-NTUHNPAUSA-N	-1	0	447.241	2.925	50	10		IFCARM
COc1ccc(N2C(=O)C(=Cc3c(OC)cc(OC)cc3OC)C(=O)[N-]C2=S)cc1	ZINC000009236125	536657464	/nfs/dbraw/zinc/65/74/64/536657464.db2.gz	NALIMJDQKPSAIJ-WJDWOHSUSA-N	-1	0	428.466	2.964	50	10		IFCARM
O=C([O-])CCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S	ZINC000001237702	555687167	/nfs/dbraw/zinc/68/71/67/555687167.db2.gz	QNOCFQJQDFMPAT-QXMHVHEDSA-N	-1	0	427.301	2.837	50	10		IFCARM
CC1=NN(c2ccccc2C)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000008429954	556170239	/nfs/dbraw/zinc/17/02/39/556170239.db2.gz	CPVHMCGHZUCQFC-WJDWOHSUSA-N	-1	0	436.855	2.999	50	10		IFCARM
Cn1c2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2n(C)c1=O	ZINC000009305615	556276605	/nfs/dbraw/zinc/27/66/05/556276605.db2.gz	CDPBYZQPJXEQBL-CXUHLZMHSA-N	-1	0	425.491	2.981	50	10		IFCARM
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000013590388	556529018	/nfs/dbraw/zinc/52/90/18/556529018.db2.gz	QLLWECDHBOCTHF-YBEGLDIGSA-N	-1	0	440.818	2.830	50	10		IFCARM
CCc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1	ZINC000006574131	556579325	/nfs/dbraw/zinc/57/93/25/556579325.db2.gz	CFXAZSYJVODMRL-UYRXBGFRSA-N	-1	0	437.477	2.618	50	10		IFCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)CC1	ZINC000016212230	556590912	/nfs/dbraw/zinc/59/09/12/556590912.db2.gz	RDSMQPXYOWPOOA-PTNGSMBKSA-N	-1	0	435.933	2.555	50	10		IFCARM
CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000016737106	556633606	/nfs/dbraw/zinc/63/36/06/556633606.db2.gz	XGUCBVURNWEFPI-UVTDQMKNSA-N	-1	0	446.554	2.891	50	10		IFCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccnc1	ZINC000008751367	556845316	/nfs/dbraw/zinc/84/53/16/556845316.db2.gz	KCNGGPJSOGQYIP-GIJQJNRQSA-N	-1	0	430.420	2.884	50	10		IFCARM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1	ZINC000001176357	557120103	/nfs/dbraw/zinc/12/01/03/557120103.db2.gz	GLHRGDMNQYLPDA-MDWZMJQESA-N	-1	0	445.225	2.608	50	10		IFCARM
C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)[N-]C(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000098086677	557122363	/nfs/dbraw/zinc/12/23/63/557122363.db2.gz	CJGJCCVNKMTFID-MFVBVHDHSA-N	-1	0	437.427	2.858	50	10		IFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000101032850	557214870	/nfs/dbraw/zinc/21/48/70/557214870.db2.gz	DQIWANJOEBMGTK-CPNJWEJPSA-N	-1	0	445.479	2.680	50	10		IFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC	ZINC000033436700	557335381	/nfs/dbraw/zinc/33/53/81/557335381.db2.gz	OEMAASGPALDBMW-ZSOIEALJSA-N	-1	0	433.258	2.936	50	10		IFCARM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000015722728	557463430	/nfs/dbraw/zinc/46/34/30/557463430.db2.gz	KZLJADSNTOMPBM-GZTJUZNOSA-N	-1	0	438.436	2.612	50	10		IFCARM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000009191259	562968104	/nfs/dbraw/zinc/96/81/04/562968104.db2.gz	NALZHAWCBAXGCA-JXAWBTAJSA-N	-1	0	439.468	2.719	50	10		IFCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C1=O	ZINC000001078660	568656747	/nfs/dbraw/zinc/65/67/47/568656747.db2.gz	PPKQXWRUYZOHDH-WOJGMQOQSA-N	-1	0	447.447	2.931	50	10		IFCARM
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000110100526	569263229	/nfs/dbraw/zinc/26/32/29/569263229.db2.gz	TVMXMPVOMYJLSK-MHWRWJLKSA-N	-1	0	440.818	2.830	50	10		IFCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000008765857	569474811	/nfs/dbraw/zinc/47/48/11/569474811.db2.gz	BIQSIIFMCJPLJU-PXNMLYILSA-N	-1	0	444.490	2.939	50	10		IFCARM
CCCCOc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1OC	ZINC000008821243	569477137	/nfs/dbraw/zinc/47/71/37/569477137.db2.gz	FCNHYUDPSQTJLJ-PTNGSMBKSA-N	-1	0	431.557	2.963	50	10		IFCARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc1	ZINC000008870270	569480571	/nfs/dbraw/zinc/48/05/71/569480571.db2.gz	GMJPYLQWRLAORZ-XNTDXEJSSA-N	-1	0	430.536	2.966	50	10		IFCARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S	ZINC000009420188	569532604	/nfs/dbraw/zinc/53/26/04/569532604.db2.gz	DBMCGFNCPFLZHU-JVDKPVQESA-N	-1	0	432.479	2.567	50	10		IFCARM
O=C([O-])COc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1	ZINC000009435771	569534922	/nfs/dbraw/zinc/53/49/22/569534922.db2.gz	OQMKZZHDILHLQM-XSFVSMFZSA-N	-1	0	437.521	2.938	50	10		IFCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(I)c3)C2=O)c1	ZINC000001154195	132237691	/nfs/dbraw/zinc/23/76/91/132237691.db2.gz	OOEJNQRXIVLHBF-MDWZMJQESA-N	-1	0	448.216	2.972	50	10		IFCARM
O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000008672957	132289862	/nfs/dbraw/zinc/28/98/62/132289862.db2.gz	SFMGTPXPPVGNHN-PDGQHHTCSA-N	-1	0	428.286	2.747	50	10		IFCARM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000013552709	132349674	/nfs/dbraw/zinc/34/96/74/132349674.db2.gz	FRFKWFCQBQBABT-XNTDXEJSSA-N	-1	0	437.452	2.785	50	10		IFCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(I)o1	ZINC000013940814	132355455	/nfs/dbraw/zinc/35/54/55/132355455.db2.gz	AHADMJWHILIYEG-VQHVLOKHSA-N	-1	0	442.209	2.855	50	10		IFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1I	ZINC000014010995	132355837	/nfs/dbraw/zinc/35/58/37/132355837.db2.gz	UTCRDQXKBAVZJU-LCYFTJDESA-N	-1	0	448.216	2.966	50	10		IFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)[nH]c2ccccc21	ZINC000009185491	534457588	/nfs/dbraw/zinc/45/75/88/534457588.db2.gz	ORZXSLNSAKCWGR-UYRXBGFRSA-N	-1	0	446.532	2.986	50	10		IFCARM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccccc3OC)C1=O)OCO2	ZINC000012469317	520790555	/nfs/dbraw/zinc/79/05/55/520790555.db2.gz	LIECAHXHRRSEFF-MDWZMJQESA-N	-1	0	426.450	2.654	50	10		IFCARM
COCC[NH+](CCOC)Cc1c([O-])ccc2c([O-])c(-c3ccccc3OC)c(=O)oc21	ZINC000020650192	523716426	/nfs/dbraw/zinc/71/64/26/523716426.db2.gz	DTHCBUWMFRJUFU-UHFFFAOYSA-N	-1	0	429.469	2.975	50	10		IFCARM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c1O	ZINC000001203532	537078224	/nfs/dbraw/zinc/07/82/24/537078224.db2.gz	YEVPOSTVTVCJAS-MDWZMJQESA-N	-1	0	433.283	2.995	50	10		IFCARM
COCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])SC1=S	ZINC000002986696	555874360	/nfs/dbraw/zinc/87/43/60/555874360.db2.gz	PQYGUBOZZDIIFN-GHXNOFRVSA-N	-1	0	432.317	2.760	50	10		IFCARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3cc(Br)ccc3O)C2=O)cc1	ZINC000006492057	556091609	/nfs/dbraw/zinc/09/16/09/556091609.db2.gz	DNCRXQDALGNCGR-GDNBJRDFSA-N	-1	0	431.242	2.793	50	10		IFCARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1	ZINC000013802184	556310920	/nfs/dbraw/zinc/31/09/20/556310920.db2.gz	LUWVHPMPVFSOKY-YVLHZVERSA-N	-1	0	433.807	2.945	50	10		IFCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(N2CCN(C)[C@@H]([N+](=O)[O-])C2)cc1	ZINC000019333433	556737888	/nfs/dbraw/zinc/73/78/88/556737888.db2.gz	WBENBUAPLJTUQS-OCBOALCKSA-N	-1	0	449.467	2.546	50	10		IFCARM
COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000098086698	557122645	/nfs/dbraw/zinc/12/26/45/557122645.db2.gz	ZEMCWYMXAPQOGE-UKTHLTGXSA-N	-1	0	434.857	2.571	50	10		IFCARM
Cc1ccc(N2C(=O)C(=CNc3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1C	ZINC000098086611	557123303	/nfs/dbraw/zinc/12/33/03/557123303.db2.gz	SQKLVOISDUEVRG-XSFVSMFZSA-N	-1	0	436.537	2.884	50	10		IFCARM
COC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000000797692	557212953	/nfs/dbraw/zinc/21/29/53/557212953.db2.gz	FRFKWFCQBQBABT-GDNBJRDFSA-N	-1	0	437.452	2.785	50	10		IFCARM
COc1cc(CNC=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1	ZINC000101031069	557214800	/nfs/dbraw/zinc/21/48/00/557214800.db2.gz	YBIKBWZZJLAYLU-UNOMPAQXSA-N	-1	0	425.510	2.742	50	10		IFCARM
CCN(CC)c1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(C)=O)cc1	ZINC000101456226	557286647	/nfs/dbraw/zinc/28/66/47/557286647.db2.gz	SSDRMXPDXHJCOV-KRWDZBQOSA-N	-1	0	429.546	2.703	50	10		IFCARM
CCN(CC)c1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(C)=O)cc1	ZINC000101456228	557286753	/nfs/dbraw/zinc/28/67/53/557286753.db2.gz	SSDRMXPDXHJCOV-QGZVFWFLSA-N	-1	0	429.546	2.703	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1O	ZINC000015837503	557467984	/nfs/dbraw/zinc/46/79/84/557467984.db2.gz	VUUAOXHDVBXANI-WUXMJOGZSA-N	-1	0	433.214	2.535	50	10		IFCARM
COc1cc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O	ZINC000002451973	562927765	/nfs/dbraw/zinc/92/77/65/562927765.db2.gz	DJRZIPLCKFJXHA-YBEGLDIGSA-N	-1	0	436.536	2.804	50	10		IFCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1O	ZINC000001067061	568656332	/nfs/dbraw/zinc/65/63/32/568656332.db2.gz	SYFJVFSUVUIZPZ-MLPAPPSSSA-N	-1	0	449.232	2.964	50	10		IFCARM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1O	ZINC000016195987	568872419	/nfs/dbraw/zinc/87/24/19/568872419.db2.gz	KSQHHPRHPDCIMM-JYRVWZFOSA-N	-1	0	433.283	2.995	50	10		IFCARM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(C)c2)c1=O	ZINC000016349877	568877660	/nfs/dbraw/zinc/87/76/60/568877660.db2.gz	NZTOEABWPWBTBO-GZTJUZNOSA-N	-1	0	436.855	2.999	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OC	ZINC000027501403	569216583	/nfs/dbraw/zinc/21/65/83/569216583.db2.gz	DJUOFPDRGIBWCS-AWNIVKPZSA-N	-1	0	448.229	2.836	50	10		IFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1	ZINC000008385530	569462645	/nfs/dbraw/zinc/46/26/45/569462645.db2.gz	QZJUVEHPYGIDGY-YBEGLDIGSA-N	-1	0	426.425	2.778	50	10		IFCARM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1	ZINC000008740444	569472897	/nfs/dbraw/zinc/47/28/97/569472897.db2.gz	SRMQPPJTSNXABZ-AKMXKPQHSA-N	-1	0	425.876	2.934	50	10		IFCARM
CCN1C(=O)/C(=C\c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C(=O)N=C1[S-]	ZINC000008974070	569492834	/nfs/dbraw/zinc/49/28/34/569492834.db2.gz	FDTAWLVUSFQGGJ-BOPFTXTBSA-N	-1	0	437.521	2.858	50	10		IFCARM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000001153969	132237621	/nfs/dbraw/zinc/23/76/21/132237621.db2.gz	CPEKTBJZZLVARC-HMMYKYKNSA-N	-1	0	437.521	2.753	50	10		IFCARM
COc1cc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)C(=O)[N-]C2=S)cc(OC)c1OC	ZINC000009270658	132312121	/nfs/dbraw/zinc/31/21/21/132312121.db2.gz	USKUEERLHLJYEG-BENRWUELSA-N	-1	0	438.465	2.831	50	10		IFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C2=O)cc1	ZINC000009335084	132313838	/nfs/dbraw/zinc/31/38/38/132313838.db2.gz	MEJTZRSTFHVSQT-ZWUNQBBJSA-N	-1	0	435.484	2.679	50	10		IFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[nH]c2ccccc21	ZINC000002396259	534456343	/nfs/dbraw/zinc/45/63/43/534456343.db2.gz	FHKSTGJBLWYKKR-PDGQHHTCSA-N	-1	0	434.427	2.652	50	10		IFCARM
Cc1nc2c(C(=O)N3CCC4(CC3)OCCO4)c[n-]n2c(=O)c1Cc1ccccc1Cl	ZINC000020681788	527092557	/nfs/dbraw/zinc/09/25/57/527092557.db2.gz	JDBIAKMRRVVLLB-UHFFFAOYSA-N	-1	0	442.903	2.967	50	10		IFCARM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C(=O)N1	ZINC000001162849	555662930	/nfs/dbraw/zinc/66/29/30/555662930.db2.gz	NWMLDXSCVHVCFG-UHFFFAOYSA-N	-1	0	448.216	2.620	50	10		IFCARM
O=C([O-])C[C@H](NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000011565557	556341870	/nfs/dbraw/zinc/34/18/70/556341870.db2.gz	NATZWYGORKYLML-SFHVURJKSA-N	-1	0	435.457	2.956	50	10		IFCARM
COc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2ccc(O)cc2C(=O)[O-])C1=O	ZINC000013572054	556522457	/nfs/dbraw/zinc/52/24/57/556522457.db2.gz	ZKPVTGNZDMIQHD-LZYBPNLTSA-N	-1	0	444.490	2.939	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc(Br)c1O	ZINC000015659231	556541295	/nfs/dbraw/zinc/54/12/95/556541295.db2.gz	OVSQLJJBIKHKMQ-XFFZJAGNSA-N	-1	0	447.241	2.838	50	10		IFCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1	ZINC000017122516	556668443	/nfs/dbraw/zinc/66/84/43/556668443.db2.gz	RPVQICGYZWBTJY-NSIKDUERSA-N	-1	0	425.353	2.834	50	10		IFCARM
Cc1c(NC=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100777044	556669437	/nfs/dbraw/zinc/66/94/37/556669437.db2.gz	UFTYODIOJCDJMM-QGOAFFKASA-N	-1	0	447.520	2.537	50	10		IFCARM
Cc1ccc(OCCOc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000334161031	556837058	/nfs/dbraw/zinc/83/70/58/556837058.db2.gz	RMOWFYTXUXOURE-UHFFFAOYSA-N	-1	0	445.269	2.965	50	10		IFCARM
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CC[NH+](C)CC2)cc1	ZINC000023080623	556997923	/nfs/dbraw/zinc/99/79/23/556997923.db2.gz	FUUGJOYMVLXLOE-QGZVFWFLSA-N	-1	0	443.038	2.735	50	10		IFCARM
Cc1c(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000017180613	557034446	/nfs/dbraw/zinc/03/44/46/557034446.db2.gz	RLHWRNNKWKLLFL-QGOAFFKASA-N	-1	0	447.520	2.948	50	10		IFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(C3CCCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000101251132	557265036	/nfs/dbraw/zinc/26/50/36/557265036.db2.gz	KNRJTQCUZMSBCO-NBVRZTHBSA-N	-1	0	437.500	2.581	50	10		IFCARM
CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101764014	557297908	/nfs/dbraw/zinc/29/79/08/557297908.db2.gz	OFBOLUCFLDMDPB-LJQANCHMSA-N	-1	0	439.516	2.511	50	10		IFCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000009329522	562969291	/nfs/dbraw/zinc/96/92/91/562969291.db2.gz	JWIFWYLWZFWNFW-XDJHFCHBSA-N	-1	0	445.479	2.942	50	10	aggregator	IFCARM
Cc1ccc(-c2nc(Cn3cc(C=C4C(=O)[N-]C(=O)NC4=O)c4ccccc43)no2)cc1	ZINC000001088458	568658216	/nfs/dbraw/zinc/65/82/16/568658216.db2.gz	YLNHDAYSPCPVAE-UHFFFAOYSA-N	-1	0	427.420	2.797	50	10		IFCARM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1	ZINC000008740445	569472837	/nfs/dbraw/zinc/47/28/37/569472837.db2.gz	SRMQPPJTSNXABZ-REZBVGGZSA-N	-1	0	425.876	2.934	50	10		IFCARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S	ZINC000009420189	569532602	/nfs/dbraw/zinc/53/26/02/569532602.db2.gz	DBMCGFNCPFLZHU-ZXZGFYSFSA-N	-1	0	432.479	2.567	50	10		IFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)o3)C2=O)cc1	ZINC000001202623	132239404	/nfs/dbraw/zinc/23/94/04/132239404.db2.gz	PPVDEJOQHDPPCW-XYOKQWHBSA-N	-1	0	438.177	2.559	50	10		IFCARM
COc1cccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)[N-]C2=S)c1	ZINC000001444047	132245625	/nfs/dbraw/zinc/24/56/25/132245625.db2.gz	BDWUQGKIHDCJOA-OVCLIPMQSA-N	-1	0	428.466	2.552	50	10		IFCARM
CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000006266667	132276941	/nfs/dbraw/zinc/27/69/41/132276941.db2.gz	XNLKYVYQFOBYAZ-YBEGLDIGSA-N	-1	0	442.493	2.942	50	10		IFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1O	ZINC000009260040	132311475	/nfs/dbraw/zinc/31/14/75/132311475.db2.gz	JXVLRNZSEBKSAQ-WUXMJOGZSA-N	-1	0	435.205	2.969	50	10		IFCARM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C1=O)OCO2	ZINC000009260359	132311552	/nfs/dbraw/zinc/31/15/52/132311552.db2.gz	NZOWUNRCEUOFAZ-NVNXTCNLSA-N	-1	0	426.450	2.654	50	10		IFCARM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	ZINC000014011127	132355762	/nfs/dbraw/zinc/35/57/62/132355762.db2.gz	ISWZAVBRKAJQAP-YVLHZVERSA-N	-1	0	438.436	2.530	50	10		IFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)[nH]c2ccccc21	ZINC000009455806	534457540	/nfs/dbraw/zinc/45/75/40/534457540.db2.gz	NMBIGMBUTTYFSY-UYRXBGFRSA-N	-1	0	430.464	2.821	50	10		IFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)[nH]c2ccccc21	ZINC000009209666	534457643	/nfs/dbraw/zinc/45/76/43/534457643.db2.gz	QOGWIUGJLQMDTL-UYRXBGFRSA-N	-1	0	446.532	2.986	50	10		IFCARM
COC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c2ccccc21	ZINC000012363809	523389533	/nfs/dbraw/zinc/38/95/33/523389533.db2.gz	YUDBCXCAUFGQAY-BOPFTXTBSA-N	-1	0	433.489	2.954	50	10		IFCARM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000012363455	526091114	/nfs/dbraw/zinc/09/11/14/526091114.db2.gz	GPTBJNRVBLWBRQ-NTEUORMPSA-N	-1	0	443.550	2.989	50	10		IFCARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21	ZINC000034875455	526642902	/nfs/dbraw/zinc/64/29/02/526642902.db2.gz	BKWHZZVWSICQJD-UHFFFAOYSA-N	-1	0	430.420	2.989	50	10		IFCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)[N-]C2=S)cc1	ZINC000009461337	536660031	/nfs/dbraw/zinc/66/00/31/536660031.db2.gz	SUBHBOXPYJUTGS-PTNGSMBKSA-N	-1	0	428.466	2.552	50	10		IFCARM
COCCN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)N(c2ccccc2)C1=O	ZINC000009846993	536852599	/nfs/dbraw/zinc/85/25/99/536852599.db2.gz	NFXUOYIOFGEQNP-UYRXBGFRSA-N	-1	0	447.447	2.751	50	10		IFCARM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000009324329	556281691	/nfs/dbraw/zinc/28/16/91/556281691.db2.gz	GPTBJNRVBLWBRQ-ZROIWOOFSA-N	-1	0	443.550	2.989	50	10		IFCARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000016677858	556622946	/nfs/dbraw/zinc/62/29/46/556622946.db2.gz	CTBXTCXLPGTABQ-SXGWCWSVSA-N	-1	0	430.844	2.752	50	10		IFCARM
COC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(OC)cc2)C1=O	ZINC000017242074	556673993	/nfs/dbraw/zinc/67/39/93/556673993.db2.gz	VORJRBHBUNEJNF-LFIBNONCSA-N	-1	0	435.461	2.794	50	10		IFCARM
CCc1cc2c(C)cc(=O)oc2c(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1[O-]	ZINC000049580940	557116280	/nfs/dbraw/zinc/11/62/80/557116280.db2.gz	YAWDFFJXLUEDMS-UHFFFAOYSA-N	-1	0	448.566	2.937	50	10		IFCARM
Cc1cc([N-]S(=O)(=O)c2ccc(N=CC3C(=O)OC4(CCCCC4)OC3=O)cc2)no1	ZINC000101268504	557268591	/nfs/dbraw/zinc/26/85/91/557268591.db2.gz	ALLVAVUEUXANRT-UHFFFAOYSA-N	-1	0	447.469	2.840	50	10		IFCARM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000230164209	557275953	/nfs/dbraw/zinc/27/59/53/557275953.db2.gz	ONONGPMYPFASFL-GZTJUZNOSA-N	-1	0	436.855	2.999	50	10		IFCARM
COc1ccc(OC)c(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)c1	ZINC000008828412	562964510	/nfs/dbraw/zinc/96/45/10/562964510.db2.gz	SEBNRSDZAHJDOG-WJDWOHSUSA-N	-1	0	436.536	2.799	50	10		IFCARM
Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(=O)n2c1	ZINC000001880781	568741972	/nfs/dbraw/zinc/74/19/72/568741972.db2.gz	DMOWIJPSCPSZAB-ZSOIEALJSA-N	-1	0	446.554	2.747	50	10		IFCARM
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000001774490	568906243	/nfs/dbraw/zinc/90/62/43/568906243.db2.gz	YLSWTGHHMBMISW-ZROIWOOFSA-N	-1	0	440.480	2.944	50	10		IFCARM
CO[C@@H]1C=C[C@](CNC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[O-])(OC)O1	ZINC000245256975	568914187	/nfs/dbraw/zinc/91/41/87/568914187.db2.gz	VEMFSXVFGJTWFP-VUYBDLBNSA-N	-1	0	435.476	2.612	50	10		IFCARM
O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000008821477	569477104	/nfs/dbraw/zinc/47/71/04/569477104.db2.gz	JIQWXKAWBULGBJ-NTEUORMPSA-N	-1	0	440.480	2.944	50	10		IFCARM
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(C(=O)[O-])CC3)C2=O)cc1	ZINC000009429986	569533830	/nfs/dbraw/zinc/53/38/30/569533830.db2.gz	YZXSSVIVOZHBAL-VBKFSLOCSA-N	-1	0	434.539	2.610	50	10		IFCARM
COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1NC(C)=O	ZINC000009546293	569546276	/nfs/dbraw/zinc/54/62/76/569546276.db2.gz	ACMJGCNZXJXNBT-SNVBAGLBSA-N	-1	0	437.543	2.740	50	10		IFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)cc3C)C2=O)c(OC)c1	ZINC000009260160	132311399	/nfs/dbraw/zinc/31/13/99/132311399.db2.gz	UKLXZEBJXWSPRW-DHDCSXOGSA-N	-1	0	426.425	2.696	50	10		IFCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)OC)c4ccccc34)C2=O)c1	ZINC000009310030	132313319	/nfs/dbraw/zinc/31/33/19/132313319.db2.gz	RZWNSWDFAWVZAL-ODLFYWEKSA-N	-1	0	447.447	2.879	50	10		IFCARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000001201090	535689463	/nfs/dbraw/zinc/68/94/63/535689463.db2.gz	KZLJADSNTOMPBM-BOPFTXTBSA-N	-1	0	438.436	2.612	50	10		IFCARM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Br)c3)C2=O)cc1	ZINC000001173385	536729230	/nfs/dbraw/zinc/72/92/30/536729230.db2.gz	DPPCFMKCQQXMRN-XNTDXEJSSA-N	-1	0	429.226	2.902	50	10		IFCARM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Cl)cc(Cl)c2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000015275989	556514198	/nfs/dbraw/zinc/51/41/98/556514198.db2.gz	WBWVRQXTMKZDIX-DSEONOSFSA-N	-1	0	435.263	2.992	50	10		IFCARM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)cc1	ZINC000015723241	556545345	/nfs/dbraw/zinc/54/53/45/556545345.db2.gz	GJUNXBNCXNIDGL-BOPFTXTBSA-N	-1	0	443.868	2.709	50	10		IFCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000016192501	556588727	/nfs/dbraw/zinc/58/87/27/556588727.db2.gz	FHUJIDCYWFMICR-UNOMPAQXSA-N	-1	0	449.467	2.851	50	10		IFCARM
Cc1c(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100773197	556668691	/nfs/dbraw/zinc/66/86/91/556668691.db2.gz	ZLOOIPKTGDFTHS-GHRIWEEISA-N	-1	0	447.520	2.537	50	10		IFCARM
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCN(CCO)CC2)c1[O-]	ZINC000020412162	557013939	/nfs/dbraw/zinc/01/39/39/557013939.db2.gz	NPDRJIQNSAUWSO-UHFFFAOYSA-N	-1	0	429.542	2.603	50	10		IFCARM
CCOC(=O)COc1ccccc1/C=C1\C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000000678278	557134351	/nfs/dbraw/zinc/13/43/51/557134351.db2.gz	MUJBDDJRBQDMFN-LFIBNONCSA-N	-1	0	445.269	2.852	50	10		IFCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1	ZINC000000824609	557270027	/nfs/dbraw/zinc/27/00/27/557270027.db2.gz	ZJGUPEXNACTNGT-LFIBNONCSA-N	-1	0	433.249	2.819	50	10		IFCARM
CC1=NN(c2ccccc2C)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000103255476	557430552	/nfs/dbraw/zinc/43/05/52/557430552.db2.gz	CPVHMCGHZUCQFC-LFIBNONCSA-N	-1	0	436.855	2.999	50	10		IFCARM
COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(Cc2ccc(OC)cc2)C1=O	ZINC000210974533	568635138	/nfs/dbraw/zinc/63/51/38/568635138.db2.gz	AMSSMYFXAHDBDD-BOPFTXTBSA-N	-1	0	433.420	2.625	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	ZINC000004182129	568787006	/nfs/dbraw/zinc/78/70/06/568787006.db2.gz	KWPQHPHTAMCLNB-UHFFFAOYSA-N	-1	0	427.369	2.651	50	10		IFCARM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Cl)cc(Cl)c2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000247978385	568918898	/nfs/dbraw/zinc/91/88/98/568918898.db2.gz	WBWVRQXTMKZDIX-CJXDPKRBSA-N	-1	0	435.263	2.992	50	10		IFCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1	ZINC000013562094	569155650	/nfs/dbraw/zinc/15/56/50/569155650.db2.gz	ZJGUPEXNACTNGT-WJDWOHSUSA-N	-1	0	433.249	2.819	50	10		IFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc(OC)c1OC	ZINC000002251452	569214164	/nfs/dbraw/zinc/21/41/64/569214164.db2.gz	YRBKJQGXTWIWJA-AUWJEWJLSA-N	-1	0	433.258	2.936	50	10		IFCARM
CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000002258019	569215288	/nfs/dbraw/zinc/21/52/88/569215288.db2.gz	KQJAKLOOZXBLLW-UVTDQMKNSA-N	-1	0	446.554	2.828	50	10		IFCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)SC1=S	ZINC000009310476	569521761	/nfs/dbraw/zinc/52/17/61/569521761.db2.gz	ULJSICOQSXITSY-MHWRWJLKSA-N	-1	0	428.491	2.990	50	10		IFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cccc(C)c1	ZINC000009635684	569554658	/nfs/dbraw/zinc/55/46/58/569554658.db2.gz	VRSKWSXMGLBLKE-UHFFFAOYSA-N	-1	0	430.844	2.864	50	10		IFCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)o1	ZINC000000661798	132228735	/nfs/dbraw/zinc/22/87/35/132228735.db2.gz	ZATORVZHJQMVCG-RVDMUPIBSA-N	-1	0	429.498	2.974	50	10		IFCARM
COc1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4)nn3)CC2)cc1	ZINC000008975858	132299478	/nfs/dbraw/zinc/29/94/78/132299478.db2.gz	AZLITYIAEBFLNZ-UHFFFAOYSA-N	-1	0	425.514	2.613	50	10		IFCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000009088563	132302441	/nfs/dbraw/zinc/30/24/41/132302441.db2.gz	GFSXAHBKNNLHDY-MHWRWJLKSA-N	-1	0	443.257	2.986	50	10		IFCARM
O=C(c1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000012659865	526731162	/nfs/dbraw/zinc/73/11/62/526731162.db2.gz	IGCFVSFELMHODH-LSDHHAIUSA-N	-1	0	440.455	2.589	50	10		IFCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000009934516	536659910	/nfs/dbraw/zinc/65/99/10/536659910.db2.gz	GIZIZRINEWPMHG-JYRVWZFOSA-N	-1	0	433.283	2.995	50	10		IFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OC(C)=O	ZINC000000666803	555528981	/nfs/dbraw/zinc/52/89/81/555528981.db2.gz	BWGCISNZZRBMKZ-ZSOIEALJSA-N	-1	0	431.242	2.844	50	10		IFCARM
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000009188720	556251646	/nfs/dbraw/zinc/25/16/46/556251646.db2.gz	YAMCFGNHWUZJFV-YBEGLDIGSA-N	-1	0	444.490	2.705	50	10		IFCARM
COc1cccc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)c1OC	ZINC000013769119	556304318	/nfs/dbraw/zinc/30/43/18/556304318.db2.gz	IJZQZGQIULNHSW-PTNGSMBKSA-N	-1	0	436.536	2.799	50	10		IFCARM
COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3C(=O)[O-])C2=O)c1	ZINC000013575779	556525615	/nfs/dbraw/zinc/52/56/15/556525615.db2.gz	YRFIYHRWZGMVNG-LZYBPNLTSA-N	-1	0	444.490	2.939	50	10		IFCARM
COc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1O	ZINC000015799576	556552467	/nfs/dbraw/zinc/55/24/67/556552467.db2.gz	XHCRMKZKYMCTAH-LCYFTJDESA-N	-1	0	433.283	2.995	50	10		IFCARM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000103790548	557441691	/nfs/dbraw/zinc/44/16/91/557441691.db2.gz	XLOIOOQMHWXDSJ-GZTJUZNOSA-N	-1	0	436.855	2.999	50	10		IFCARM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000109124073	557545724	/nfs/dbraw/zinc/54/57/24/557545724.db2.gz	FTZGJCNTNBPMFN-BOPFTXTBSA-N	-1	0	436.855	2.999	50	10		IFCARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1	ZINC000006161691	562946437	/nfs/dbraw/zinc/94/64/37/562946437.db2.gz	GMJPYLQWRLAORZ-GDNBJRDFSA-N	-1	0	430.536	2.966	50	10		IFCARM
CCCOc1c(Br)cc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000018996973	568631137	/nfs/dbraw/zinc/63/11/37/568631137.db2.gz	VHZNBKNEZPOYFL-UHFFFAOYSA-N	-1	0	432.068	2.750	50	10		IFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1	ZINC000001178179	568735870	/nfs/dbraw/zinc/73/58/70/568735870.db2.gz	QBFBCLMKJPXPQZ-UHFFFAOYSA-N	-1	0	444.827	2.716	50	10		IFCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3c(OC)cc(OC)cc3OC)C2=O)cc1	ZINC000001246570	568774847	/nfs/dbraw/zinc/77/48/47/568774847.db2.gz	SLWZMPLZQLMMAS-GZTJUZNOSA-N	-1	0	426.425	2.587	50	10		IFCARM
COc1ccccc1N1C(=O)C(=CNN2CCCC[C@@H]2c2cccnc2)C(=O)[N-]C1=S	ZINC000008974638	569492843	/nfs/dbraw/zinc/49/28/43/569492843.db2.gz	HJMARDKJRNRNCR-YHKKIHSWSA-N	-1	0	437.525	2.865	50	10		IFCARM
COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2ccc(C(=O)[O-])c(O)c2)C1=O	ZINC000009302914	569520960	/nfs/dbraw/zinc/52/09/60/569520960.db2.gz	GQVODMVDYUGDLN-PXNMLYILSA-N	-1	0	444.490	2.939	50	10		IFCARM