smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000002955084	552230433	/nfs/dbraw/zinc/23/04/33/552230433.db2.gz	SVMVUBXRVDWDAD-LDADJPATSA-N	-2	0	506.511	3.943	40	10		KHCBRL
Nc1ccc(-c2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c(S(=O)(=O)[O-])c1	ZINC000003954681	552423910	/nfs/dbraw/zinc/42/39/10/552423910.db2.gz	DKIXYFHAZQQVHO-UHFFFAOYSA-N	-2	0	565.585	3.530	40	10	in-vitro	KHCBRL
O=S(=O)([O-])c1ccc(/N=N/c2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)[O-])cc3)c(S(=O)(=O)[O-])c2)cc1	ZINC000004266026	552454918	/nfs/dbraw/zinc/45/49/18/552454918.db2.gz	DTLMPEWIRKJUKS-FLFKKZLDSA-N	-4	0	606.594	3.504	40	10		KHCBRL
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1c(O)cc(S(=O)(=O)[O-])c2ccccc21	ZINC000004546516	552465728	/nfs/dbraw/zinc/46/57/28/552465728.db2.gz	QTZMAXMJTAFVLL-QURGRASLSA-N	-3	0	554.536	3.560	40	10		KHCBRL
CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(C(=O)Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2	ZINC000004804005	552486971	/nfs/dbraw/zinc/48/69/71/552486971.db2.gz	KZIQIRYGVUPTBY-ZQHSETAFSA-N	-3	0	664.652	3.912	40	10		KHCBRL
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000008602787	553096630	/nfs/dbraw/zinc/09/66/30/553096630.db2.gz	IRPXADUBAQAOKL-DQRAZIAOSA-N	-3	0	538.537	3.854	40	10		KHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)SC2=S)cc1	ZINC000008828421	553157210	/nfs/dbraw/zinc/15/72/10/553157210.db2.gz	IBSNKVOASNFKJT-BUHFOSPRSA-N	-2	0	502.576	3.724	40	10		KHCBRL
O=C([O-])c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)SC2=S)c1	ZINC000008870049	553171461	/nfs/dbraw/zinc/17/14/61/553171461.db2.gz	WKRYWFALYPVYAW-BUHFOSPRSA-N	-2	0	502.576	3.724	40	10		KHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1	ZINC000009259923	553227946	/nfs/dbraw/zinc/22/79/46/553227946.db2.gz	IGPNKOYCLXZTCE-NTUHNPAUSA-N	-2	0	510.138	3.982	40	10		KHCBRL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(I)cc4)C3=O)o2)c1	ZINC000012428661	553366058	/nfs/dbraw/zinc/36/60/58/553366058.db2.gz	VBZLRYPMWMXQDW-BOPFTXTBSA-N	-2	0	500.248	3.711	40	10		KHCBRL
O=S(=O)([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])c1nnc(-c2ccccc2Cl)s1	ZINC000016450656	553565361	/nfs/dbraw/zinc/56/53/61/553565361.db2.gz	BITFTLZSKHSDMG-UHFFFAOYSA-N	-2	0	500.794	3.538	40	10		KHCBRL
O=C([O-])CCCCCN1C(=O)/C(=C\C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)SC1=S	ZINC000016779107	553581852	/nfs/dbraw/zinc/58/18/52/553581852.db2.gz	OIYTUVFQDSLMMF-ZKLMZBBOSA-N	-2	0	516.688	3.765	40	10		KHCBRL
CC(=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000020286496	553632481	/nfs/dbraw/zinc/63/24/81/553632481.db2.gz	YUVXONMAEFDHMA-QNGOZBTKSA-N	-2	0	507.532	3.603	40	10		KHCBRL
Cc1[n-]n(-c2cccc(S(=O)(=O)[O-])c2)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000025558261	553809790	/nfs/dbraw/zinc/80/97/90/553809790.db2.gz	VGKHKXLKQJVMER-DQRAZIAOSA-N	-3	0	504.502	3.654	40	10		KHCBRL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000059135482	554381517	/nfs/dbraw/zinc/38/15/17/554381517.db2.gz	LRKQPRWCLMOZST-VGOFMYFVSA-N	-2	0	507.268	3.957	40	10		KHCBRL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000059135500	554381535	/nfs/dbraw/zinc/38/15/35/554381535.db2.gz	GCBDTMOEBWNTIO-VGOFMYFVSA-N	-2	0	507.268	3.957	40	10		KHCBRL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000059136131	554382259	/nfs/dbraw/zinc/38/22/59/554382259.db2.gz	KDYQSCMHPNZYJS-IZZDOVSWSA-N	-2	0	509.309	3.732	40	10		KHCBRL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000059136146	554382247	/nfs/dbraw/zinc/38/22/47/554382247.db2.gz	XOBOGYUPXGHPIE-IZZDOVSWSA-N	-2	0	509.309	3.732	40	10		KHCBRL
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000059247814	554386820	/nfs/dbraw/zinc/38/68/20/554386820.db2.gz	WTLXMMWSSFDQET-NTUHNPAUSA-N	-2	0	509.765	3.706	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059247948	554386849	/nfs/dbraw/zinc/38/68/49/554386849.db2.gz	BQNAWTVWQZHCJY-CIAFOILYSA-N	-3	0	503.536	3.630	40	10		KHCBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)c1	ZINC000059248543	554386880	/nfs/dbraw/zinc/38/68/80/554386880.db2.gz	COJCITCGPBXPCZ-WSDLNYQXSA-N	-3	0	517.494	3.556	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059248992	554387198	/nfs/dbraw/zinc/38/71/98/554387198.db2.gz	QHLQOFZZRIBPAP-LDADJPATSA-N	-2	0	506.511	3.943	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059249002	554387112	/nfs/dbraw/zinc/38/71/12/554387112.db2.gz	KYBNYJQILXRZMT-KEBDBYFISA-N	-3	0	507.886	3.810	40	10		KHCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)C1=O	ZINC000059249302	554387116	/nfs/dbraw/zinc/38/71/16/554387116.db2.gz	CLSNBTWYLFOJTL-FYJGNVAPSA-N	-3	0	501.495	3.719	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059249552	554387180	/nfs/dbraw/zinc/38/71/80/554387180.db2.gz	GDVXDIRHUWUNRI-RGVLZGJSSA-N	-3	0	507.886	3.810	40	10		KHCBRL
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C(=O)[N-]C2=S)c(OC)c1	ZINC000059594244	554407902	/nfs/dbraw/zinc/40/79/02/554407902.db2.gz	INFHRTGGCWSCEP-UDWIEESQSA-N	-2	0	505.552	3.641	40	10		KHCBRL
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)C(=O)[N-]C2=S)c(OC)c1	ZINC000059594941	554407964	/nfs/dbraw/zinc/40/79/64/554407964.db2.gz	WTDLNZKIPWCUEK-UDWIEESQSA-N	-2	0	505.552	3.641	40	10		KHCBRL
O=C1c2c(cc(S(=O)(=O)[O-])cc2Nc2nc(Cl)nc(Cl)n2)C=C(S(=O)(=O)[O-])C1=NNc1ccccc1S(=O)(=O)[O-]	ZINC000082152301	1066882847	/nfs/dbraw/zinc/88/28/47/1066882847.db2.gz	KNJPCISTPVNOQS-CYYJNZCTSA-N	-3	0	651.444	3.936	40	10		KHCBRL
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000100044664	554193254	/nfs/dbraw/zinc/19/32/54/554193254.db2.gz	IRPXADUBAQAOKL-QURGRASLSA-N	-3	0	538.537	3.854	40	10	endogenous,in-man	KHCBRL
Cc1[n-]n(-c2cccc(S(=O)(=O)[O-])c2)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000100048466	554194147	/nfs/dbraw/zinc/19/41/47/554194147.db2.gz	VGKHKXLKQJVMER-QURGRASLSA-N	-3	0	504.502	3.654	40	10		KHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000100137158	554226956	/nfs/dbraw/zinc/22/69/56/554226956.db2.gz	ANPIRLSNUCJZKX-MLPAPPSSSA-N	-2	0	538.148	3.650	40	10		KHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000100159837	554234019	/nfs/dbraw/zinc/23/40/19/554234019.db2.gz	KSJNWNJAWAOCNB-AUWJEWJLSA-N	-2	0	552.175	3.904	40	10		KHCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000100244919	554261296	/nfs/dbraw/zinc/26/12/96/554261296.db2.gz	DNNYNDQWWWDTPP-RXFRQMQLSA-N	-2	0	527.584	3.918	40	10		KHCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000100244925	554261322	/nfs/dbraw/zinc/26/13/22/554261322.db2.gz	DNNYNDQWWWDTPP-GJQPQMNHSA-N	-2	0	527.584	3.918	40	10		KHCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000100244928	554261367	/nfs/dbraw/zinc/26/13/67/554261367.db2.gz	DNNYNDQWWWDTPP-BQRJAFJYSA-N	-2	0	527.584	3.918	40	10		KHCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000100244934	554261350	/nfs/dbraw/zinc/26/13/50/554261350.db2.gz	DNNYNDQWWWDTPP-ZELUPATCSA-N	-2	0	527.584	3.918	40	10		KHCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)c1	ZINC000100340437	554324858	/nfs/dbraw/zinc/32/48/58/554324858.db2.gz	MKQZEHYPDSUJCO-OEAKJJBVSA-N	-2	0	577.571	3.855	40	10		KHCBRL
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1	ZINC000100460375	554397529	/nfs/dbraw/zinc/39/75/29/554397529.db2.gz	GMLTVVBGPFFCJM-VZUCSPMQSA-N	-2	0	594.530	3.921	40	10		KHCBRL
O=C([O-])CN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)SC1=S	ZINC000100872338	554501075	/nfs/dbraw/zinc/50/10/75/554501075.db2.gz	RGDQDZWKEKVNPO-YZLQMOBTSA-N	-2	0	616.720	3.716	40	10		KHCBRL
O=C([O-])Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)[O-])cc4)C3=O)SC2=S)cc1	ZINC000101016928	554560587	/nfs/dbraw/zinc/56/05/87/554560587.db2.gz	NDZSJIXYDJAGJI-ISLYRVAYSA-N	-2	0	530.630	3.582	40	10		KHCBRL
COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)cc4)c3=O)cc2)n1	ZINC000101125332	554644871	/nfs/dbraw/zinc/64/48/71/554644871.db2.gz	VGHHGBUAAQKQPT-CPNJWEJPSA-N	-2	0	573.429	3.776	40	10		KHCBRL
COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(I)cc4)c3=O)cc2)n1	ZINC000101125584	554644848	/nfs/dbraw/zinc/64/48/48/554644848.db2.gz	WBKVMSJKWFCKCX-CPNJWEJPSA-N	-2	0	620.429	3.618	40	10		KHCBRL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(-c3csc([N-]S(=O)(=O)c4ccc(NC(C)=O)cc4)n3)cs2)cc1	ZINC000101513551	554793341	/nfs/dbraw/zinc/79/33/41/554793341.db2.gz	AFRYCIIWDSSNAT-UHFFFAOYSA-N	-2	0	592.706	3.785	40	10		KHCBRL
COc1cc(/C=C2/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	ZINC000101602637	554804532	/nfs/dbraw/zinc/80/45/32/554804532.db2.gz	MDBCIWYPEWNOHB-JJLFXSABSA-N	-2	0	609.476	3.994	40	10		KHCBRL
COc1cc(/C=C2/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	ZINC000101602645	554804511	/nfs/dbraw/zinc/80/45/11/554804511.db2.gz	MDBCIWYPEWNOHB-MWJIIQFGSA-N	-2	0	609.476	3.994	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000103589199	555452440	/nfs/dbraw/zinc/45/24/40/555452440.db2.gz	JGYSWLDORCEMJO-WLRTZDKTSA-N	-2	0	523.723	3.549	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000103842806	571362528	/nfs/dbraw/zinc/36/25/28/571362528.db2.gz	IPRLQNGTCDVQGL-RGVLZGJSSA-N	-2	0	530.489	3.758	40	10		KHCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])cc(Br)c3[O-])C2=O)c1	ZINC000103843845	571362764	/nfs/dbraw/zinc/36/27/64/571362764.db2.gz	QNAWGLWZGZNZEJ-RIYZIHGNSA-N	-2	0	520.292	3.527	40	10		KHCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(OCC)c3)C2=O)c1	ZINC000103844169	571362816	/nfs/dbraw/zinc/36/28/16/571362816.db2.gz	MKKJFVYMTKLXSG-CXUHLZMHSA-N	-2	0	577.384	3.775	40	10		KHCBRL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1	ZINC000103850925	571364850	/nfs/dbraw/zinc/36/48/50/571364850.db2.gz	SYIRKAUMXOQTQT-WEVVVXLNSA-N	-2	0	594.143	3.572	40	10		KHCBRL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c([O-])c(I)c1	ZINC000103851044	571364863	/nfs/dbraw/zinc/36/48/63/571364863.db2.gz	JQCKVHDRRWIGCR-WEVVVXLNSA-N	-2	0	547.143	3.730	40	10		KHCBRL
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br	ZINC000103851610	571364928	/nfs/dbraw/zinc/36/49/28/571364928.db2.gz	KYUDKSAXDQGLCP-BJMVGYQFSA-N	-2	0	558.179	3.645	40	10		KHCBRL
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br	ZINC000103851725	571365175	/nfs/dbraw/zinc/36/51/75/571365175.db2.gz	BYAJGQVWUMXWAY-BJMVGYQFSA-N	-2	0	513.728	3.536	40	10		KHCBRL
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	ZINC000103858530	571366566	/nfs/dbraw/zinc/36/65/66/571366566.db2.gz	IDEDHCAYDHDTQA-LFYBBSHMSA-N	-2	0	558.566	3.995	40	10		KHCBRL
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl	ZINC000103858631	571366695	/nfs/dbraw/zinc/36/66/95/571366695.db2.gz	JNIHQLPFGLHNSM-LFYBBSHMSA-N	-2	0	514.115	3.886	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000103859272	571367010	/nfs/dbraw/zinc/36/70/10/571367010.db2.gz	LMBPGJUVAJWOSD-VGOFMYFVSA-N	-2	0	523.723	3.631	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000103859313	571367147	/nfs/dbraw/zinc/36/71/47/571367147.db2.gz	JNBMHRJGNLWSGX-VGOFMYFVSA-N	-2	0	568.174	3.740	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000103859351	571367137	/nfs/dbraw/zinc/36/71/37/571367137.db2.gz	DQAPCAFVYZROOG-VGOFMYFVSA-N	-2	0	615.174	3.582	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000103859406	571367106	/nfs/dbraw/zinc/36/71/06/571367106.db2.gz	FNPHMDWUOKUANK-VGOFMYFVSA-N	-2	0	568.174	3.740	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000103865748	571367993	/nfs/dbraw/zinc/36/79/93/571367993.db2.gz	FWLVRGHZMXCOMC-KEBDBYFISA-N	-3	0	552.337	3.919	40	10		KHCBRL
COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1	ZINC000103920096	571369747	/nfs/dbraw/zinc/36/97/47/571369747.db2.gz	MTDTZOXNTSKBJJ-KQWNVCNZSA-N	-2	0	577.648	3.847	40	10		KHCBRL
COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000103920106	571369718	/nfs/dbraw/zinc/36/97/18/571369718.db2.gz	FRHGGASFEKVNGK-ULJHMMPZSA-N	-2	0	553.597	3.753	40	10		KHCBRL
COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000103920197	571369752	/nfs/dbraw/zinc/36/97/52/571369752.db2.gz	OVIWPSWVUCOASF-IWIPYMOSSA-N	-2	0	571.015	3.591	40	10		KHCBRL
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000104090508	571373570	/nfs/dbraw/zinc/37/35/70/571373570.db2.gz	QEIALNPKTRAHQP-KRXRYSOXSA-N	-2	0	510.532	3.510	40	10		KHCBRL
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000104090515	571373574	/nfs/dbraw/zinc/37/35/74/571373574.db2.gz	QEIALNPKTRAHQP-WWDJGNSZSA-N	-2	0	510.532	3.510	40	10		KHCBRL
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000104090522	571373526	/nfs/dbraw/zinc/37/35/26/571373526.db2.gz	QEIALNPKTRAHQP-LYEHZDMLSA-N	-2	0	510.532	3.510	40	10		KHCBRL
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000104090524	571373543	/nfs/dbraw/zinc/37/35/43/571373543.db2.gz	QEIALNPKTRAHQP-ZFZZVZNFSA-N	-2	0	510.532	3.510	40	10		KHCBRL
COc1ccc(S(=O)(=O)[N-]c2nc(-c3csc([N-]S(=O)(=O)c4ccc(OC)cc4)n3)cs2)cc1	ZINC000104814438	571386460	/nfs/dbraw/zinc/38/64/60/571386460.db2.gz	YQJGODDDKAINRK-UHFFFAOYSA-N	-2	0	538.654	3.885	40	10		KHCBRL
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000112230137	571434054	/nfs/dbraw/zinc/43/40/54/571434054.db2.gz	HTQRLGCRLGSERF-QJOMJCCJSA-N	-2	0	523.571	3.744	40	10		KHCBRL
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000112232268	571434336	/nfs/dbraw/zinc/43/43/36/571434336.db2.gz	HXYQKAOTWYMWEN-HAHDFKILSA-N	-2	0	540.989	3.583	40	10		KHCBRL
COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000112232339	571434328	/nfs/dbraw/zinc/43/43/28/571434328.db2.gz	RLNBBGAVPLCMDV-KQWNVCNZSA-N	-2	0	541.561	3.883	40	10		KHCBRL
CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000112234418	571434605	/nfs/dbraw/zinc/43/46/05/571434605.db2.gz	XFPCEUYRHGEXPS-BKUYFWCQSA-N	-2	0	527.950	3.948	40	10		KHCBRL
COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000112237944	571434949	/nfs/dbraw/zinc/43/49/49/571434949.db2.gz	IHZGUFWAEQZQGO-KQWNVCNZSA-N	-2	0	568.568	3.652	40	10		KHCBRL
COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000112243097	571435346	/nfs/dbraw/zinc/43/53/46/571435346.db2.gz	BRMKXVJWWXGRAE-UCQKPKSFSA-N	-2	0	558.979	3.722	40	10		KHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)cc1	ZINC000150391842	571474110	/nfs/dbraw/zinc/47/41/10/571474110.db2.gz	XDZURLVJQIQCCJ-AUWJEWJLSA-N	-2	0	646.175	3.588	40	10		KHCBRL
O=C([O-])c1ccc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4ccc(C(=O)[O-])c(O)c4)C3=O)SC2=S)cc1O	ZINC000150415197	571485351	/nfs/dbraw/zinc/48/53/51/571485351.db2.gz	HDNROGCWWVRFQK-QURGRASLSA-N	-2	0	704.786	3.564	40	10		KHCBRL
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000150469653	571508890	/nfs/dbraw/zinc/50/88/90/571508890.db2.gz	GNSKPKSLINTHLG-QURGRASLSA-N	-2	0	706.762	3.984	40	10		KHCBRL
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000150469658	571508802	/nfs/dbraw/zinc/50/88/02/571508802.db2.gz	UVNJEQSBUQFISC-QURGRASLSA-N	-2	0	706.762	3.984	40	10		KHCBRL
O=C([O-])c1cc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4ccc(O)c(C(=O)[O-])c4)C3=O)SC2=S)ccc1O	ZINC000150469890	571508904	/nfs/dbraw/zinc/50/89/04/571508904.db2.gz	ZJJGFBFLLZXALH-QURGRASLSA-N	-2	0	704.786	3.564	40	10		KHCBRL
CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(C(=O)Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2	ZINC000150475284	571510728	/nfs/dbraw/zinc/51/07/28/571510728.db2.gz	KZIQIRYGVUPTBY-ZIADKAODSA-N	-3	0	664.652	3.912	40	10		KHCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)c1	ZINC000164344048	571546153	/nfs/dbraw/zinc/54/61/53/571546153.db2.gz	YJFPAZHLAPTCMZ-VGOFMYFVSA-N	-2	0	706.227	3.823	40	10		KHCBRL
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1I	ZINC000164451661	571548015	/nfs/dbraw/zinc/54/80/15/571548015.db2.gz	CNIPWIGZRRKPPK-LFYBBSHMSA-N	-2	0	650.017	3.946	40	10		KHCBRL
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1I	ZINC000164457693	571548114	/nfs/dbraw/zinc/54/81/14/571548114.db2.gz	VQPMNEIUZBQKFK-LFYBBSHMSA-N	-2	0	697.017	3.788	40	10		KHCBRL
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1I	ZINC000164477822	571548890	/nfs/dbraw/zinc/54/88/90/571548890.db2.gz	BPPYRJRMLAFMAK-UUILKARUSA-N	-2	0	697.017	3.788	40	10		KHCBRL
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1I	ZINC000164480816	571548880	/nfs/dbraw/zinc/54/88/80/571548880.db2.gz	XJWZGSACJMXWJM-LFYBBSHMSA-N	-2	0	713.085	3.953	40	10		KHCBRL
O=C1c2c(cc(S(=O)(=O)[O-])cc2Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c3)n2)C=C(S(=O)(=O)[O-])C1=NNc1ccccc1S(=O)(=O)[O-]	ZINC000225895320	572081017	/nfs/dbraw/zinc/08/10/17/572081017.db2.gz	NQOLWTKGTOCEPU-XAHDOWKMSA-N	-4	0	896.294	3.620	40	10		KHCBRL
O=C1c2c(cc(S(=O)(=O)[O-])cc2Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)[O-])c3)n2)C=C(S(=O)(=O)[O-])C1=NNc1ccc(S(=O)(=O)CCS(=O)(=O)[O-])cc1	ZINC000225895350	572080650	/nfs/dbraw/zinc/08/06/50/572080650.db2.gz	RSXPGGRBHJVMJD-XAHDOWKMSA-N	-4	0	880.295	3.688	40	10		KHCBRL
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1c(O)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000254846518	572303796	/nfs/dbraw/zinc/30/37/96/572303796.db2.gz	MFSTXKTXCOJDPY-UHFFFAOYSA-N	-3	0	554.536	3.560	40	10		KHCBRL
O=c1c(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(=NNc3ccc([N+](=O)[O-])cc3S(=O)(=O)[O-])c(=O)c1=2	ZINC000299888529	572141659	/nfs/dbraw/zinc/14/16/59/572141659.db2.gz	NHYIWNJJZPFRTF-UHFFFAOYSA-N	-4	0	778.646	3.885	40	10		KHCBRL
CCc1nnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cc(C)c(Br)cc4C)C3=O)cc2)s1	ZINC000408526129	572156901	/nfs/dbraw/zinc/15/69/01/572156901.db2.gz	AARVQUXTJWCOHS-LFIBNONCSA-N	-2	0	605.496	3.859	40	10		KHCBRL
CCc1nnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)s1	ZINC000408531748	572176934	/nfs/dbraw/zinc/17/69/34/572176934.db2.gz	LLNSDFBBFQFUCZ-LFIBNONCSA-N	-2	0	591.469	3.551	40	10		KHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)c(OC)c1	ZINC000408540867	572207085	/nfs/dbraw/zinc/20/70/85/572207085.db2.gz	CGSGROONFIAVRD-YBFXNURJSA-N	-2	0	515.478	3.664	40	10		KHCBRL
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000408544460	572215822	/nfs/dbraw/zinc/21/58/22/572215822.db2.gz	WEFXPBNDQXFCER-UDWIEESQSA-N	-2	0	501.520	3.821	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408692163	1066545450	/nfs/dbraw/zinc/54/54/50/1066545450.db2.gz	FXPNWYJSERADQN-VCHYOVAHSA-N	-2	0	590.370	3.981	40	10		KHCBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)cc2I)cc1	ZINC000408692636	1066545387	/nfs/dbraw/zinc/54/53/87/1066545387.db2.gz	RHHVXGXUJUKTNK-WOJGMQOQSA-N	-2	0	560.344	3.973	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1	ZINC000408694625	1066543397	/nfs/dbraw/zinc/54/33/97/1066543397.db2.gz	KXQWOJKUOMUJRK-VCHYOVAHSA-N	-2	0	590.370	3.981	40	10		KHCBRL
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000408740057	1066564705	/nfs/dbraw/zinc/56/47/05/1066564705.db2.gz	CUENDFMVOWMBSF-VZUCSPMQSA-N	-2	0	588.177	3.807	40	10		KHCBRL
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c([O-])c(I)c3)C(=O)[N-]C2=S)cc1	ZINC000408740277	1066564634	/nfs/dbraw/zinc/56/46/34/1066564634.db2.gz	FGKOLMFZSJDKAE-WUXMJOGZSA-N	-2	0	543.180	3.899	40	10		KHCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(I)c3)C2=O)c1	ZINC000408740282	1066564786	/nfs/dbraw/zinc/56/47/86/1066564786.db2.gz	JUWXXHIECBTWLI-WUXMJOGZSA-N	-2	0	527.112	3.734	40	10		KHCBRL
Cc1ccc(N2C(=O)/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)[N-]C2=S)cc1	ZINC000408740370	1066564066	/nfs/dbraw/zinc/56/40/66/1066564066.db2.gz	FWIUCMLDLHNPMX-WUXMJOGZSA-N	-2	0	590.180	3.741	40	10		KHCBRL
CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)[N-]C2=S)c1	ZINC000408741321	1066564039	/nfs/dbraw/zinc/56/40/39/1066564039.db2.gz	PCZZDUHOBYHCQV-AWNIVKPZSA-N	-2	0	620.206	3.831	40	10		KHCBRL
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c([O-])c(I)c3)C(=O)[N-]C2=S)c1	ZINC000408741940	1066563491	/nfs/dbraw/zinc/56/34/91/1066563491.db2.gz	SXIWHJAZZMDXGC-AWNIVKPZSA-N	-2	0	573.206	3.989	40	10		KHCBRL
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000408742075	1066564208	/nfs/dbraw/zinc/56/42/08/1066564208.db2.gz	PBRLWBZZJGMBSH-NYYWCZLTSA-N	-2	0	527.150	3.657	40	10		KHCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c([O-])c(I)c3)C2=O)c1	ZINC000408742299	1066563748	/nfs/dbraw/zinc/56/37/48/1066563748.db2.gz	VXNXGDYCSTYGIU-WUXMJOGZSA-N	-2	0	574.112	3.576	40	10		KHCBRL
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000408743718	1066563625	/nfs/dbraw/zinc/56/36/25/1066563625.db2.gz	XPZGWDLRRHGNQM-VZUCSPMQSA-N	-2	0	541.177	3.965	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408751604	1066567083	/nfs/dbraw/zinc/56/70/83/1066567083.db2.gz	AIWHSGAUEZCNKM-AWNIVKPZSA-N	-2	0	568.174	3.658	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408751612	1066566972	/nfs/dbraw/zinc/56/69/72/1066566972.db2.gz	ALDLZOXYPCGQJQ-AWNIVKPZSA-N	-2	0	568.174	3.658	40	10		KHCBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)C2=O)ccc1Br	ZINC000408751619	1066567156	/nfs/dbraw/zinc/56/71/56/1066567156.db2.gz	AMYRMAZRWXISSL-VZUCSPMQSA-N	-2	0	572.109	3.642	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408758652	1066568448	/nfs/dbraw/zinc/56/84/48/1066568448.db2.gz	ONFKUCNBCYHBDB-VGOFMYFVSA-N	-2	0	629.201	3.891	40	10		KHCBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)ccc1Br	ZINC000408759150	1066568565	/nfs/dbraw/zinc/56/85/65/1066568565.db2.gz	YSTPLOATSKQLQW-VZUCSPMQSA-N	-2	0	525.109	3.800	40	10		KHCBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)ccc1Br	ZINC000408760754	1066567909	/nfs/dbraw/zinc/56/79/09/1066567909.db2.gz	FMPGINUZECNPCR-NTUHNPAUSA-N	-2	0	538.148	3.650	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408760854	1066568050	/nfs/dbraw/zinc/56/80/50/1066568050.db2.gz	AFZBTQBMDYDGQM-AWNIVKPZSA-N	-2	0	523.723	3.549	40	10		KHCBRL
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c([O-])c(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000408761833	1066570483	/nfs/dbraw/zinc/57/04/83/1066570483.db2.gz	HWHLAIYABDBKKI-SDQBBNPISA-N	-2	0	512.179	3.757	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408763336	1066570392	/nfs/dbraw/zinc/57/03/92/1066570392.db2.gz	PDEKKMAABJISQF-AWNIVKPZSA-N	-2	0	615.174	3.501	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408766789	1066210862	/nfs/dbraw/zinc/21/08/62/1066210862.db2.gz	RVTONAQYYIXJCW-VGOFMYFVSA-N	-2	0	537.750	3.939	40	10		KHCBRL
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	ZINC000408770779	1066573033	/nfs/dbraw/zinc/57/30/33/1066573033.db2.gz	AJQWYSCNVOGLHN-LFYBBSHMSA-N	-2	0	558.566	3.995	40	10		KHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)cc1C	ZINC000408773773	1066212084	/nfs/dbraw/zinc/21/20/84/1066212084.db2.gz	XGQUUVQDGIMLMM-MKMNVTDBSA-N	-2	0	646.175	3.642	40	10		KHCBRL
Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C(=O)[N-]C2=S)c(C)c1	ZINC000408774775	1066572182	/nfs/dbraw/zinc/57/21/82/1066572182.db2.gz	XIPJQDSDXLDXJK-AWNIVKPZSA-N	-2	0	662.243	3.807	40	10		KHCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)c1	ZINC000408775102	1066572037	/nfs/dbraw/zinc/57/20/37/1066572037.db2.gz	YXDIGQUIWUWGTH-MKMNVTDBSA-N	-2	0	507.724	3.849	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408775678	1066212266	/nfs/dbraw/zinc/21/22/66/1066212266.db2.gz	JWXRMHXJDONWCS-LZYBPNLTSA-N	-2	0	517.332	3.594	40	10		KHCBRL
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	ZINC000408775970	1066212382	/nfs/dbraw/zinc/21/23/82/1066212382.db2.gz	LJKOAALJLSSUTL-LFYBBSHMSA-N	-2	0	652.566	3.679	40	10		KHCBRL
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1I	ZINC000408776329	1066571910	/nfs/dbraw/zinc/57/19/10/1066571910.db2.gz	YQWJZSNBWJHWEF-LFYBBSHMSA-N	-2	0	668.634	3.844	40	10		KHCBRL
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1I	ZINC000408776822	1066212182	/nfs/dbraw/zinc/21/21/82/1066212182.db2.gz	ZQLCEASMHWLWRD-UUILKARUSA-N	-2	0	668.634	3.844	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408776900	1066571447	/nfs/dbraw/zinc/57/14/47/1066571447.db2.gz	SDGKEXWPKCTIFZ-VGOFMYFVSA-N	-2	0	523.723	3.631	40	10		KHCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)c1	ZINC000408777257	1066576721	/nfs/dbraw/zinc/57/67/21/1066576721.db2.gz	XLZCRIAKWGMYOZ-MKMNVTDBSA-N	-2	0	599.175	3.800	40	10		KHCBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2I)cc1	ZINC000408778773	1066576068	/nfs/dbraw/zinc/57/60/68/1066576068.db2.gz	KIKWJYLGSXTWEO-GIJQJNRQSA-N	-2	0	612.332	3.964	40	10		KHCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000408779539	1066576013	/nfs/dbraw/zinc/57/60/13/1066576013.db2.gz	YCXIPOYTAKZOKF-NTUHNPAUSA-N	-2	0	646.175	3.588	40	10		KHCBRL
Cc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C(=O)[N-]C2=S)c1C	ZINC000408781165	1066575581	/nfs/dbraw/zinc/57/55/81/1066575581.db2.gz	BDQPKMKCAVHVMI-AWNIVKPZSA-N	-2	0	662.243	3.807	40	10		KHCBRL
CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C(=O)[N-]C2=S)c1	ZINC000408781528	1066213632	/nfs/dbraw/zinc/21/36/32/1066213632.db2.gz	UDFRKXQRXRYBJO-MKMNVTDBSA-N	-2	0	678.242	3.589	40	10		KHCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C(=O)[N-]C2=S)c1	ZINC000408781670	1066575054	/nfs/dbraw/zinc/57/50/54/1066575054.db2.gz	CRLOTVRPABCVEK-MKMNVTDBSA-N	-2	0	662.243	3.807	40	10		KHCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)c1	ZINC000408781725	1066213834	/nfs/dbraw/zinc/21/38/34/1066213834.db2.gz	DFQVIJQZXRNNLX-MKMNVTDBSA-N	-2	0	552.175	3.958	40	10		KHCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)c1C	ZINC000408781791	1066575519	/nfs/dbraw/zinc/57/55/19/1066575519.db2.gz	DSDFDVWKNMARDK-AWNIVKPZSA-N	-2	0	646.175	3.642	40	10		KHCBRL
Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C(=O)[N-]C2=S)cc1C	ZINC000408784080	1066577589	/nfs/dbraw/zinc/57/75/89/1066577589.db2.gz	SIFDNUFCQHFAQE-MKMNVTDBSA-N	-2	0	662.243	3.807	40	10		KHCBRL
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	ZINC000408784470	1066577625	/nfs/dbraw/zinc/57/76/25/1066577625.db2.gz	SWDSGKMDGSMAIE-LFYBBSHMSA-N	-2	0	605.566	3.837	40	10		KHCBRL
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1I	ZINC000408784583	1066213772	/nfs/dbraw/zinc/21/37/72/1066213772.db2.gz	VFTKVGRIZCNONE-UUILKARUSA-N	-2	0	652.566	3.679	40	10		KHCBRL
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	ZINC000408785223	1066577222	/nfs/dbraw/zinc/57/72/22/1066577222.db2.gz	UXUZVMKUKBYMOT-LFYBBSHMSA-N	-2	0	514.115	3.886	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408786809	1066576501	/nfs/dbraw/zinc/57/65/01/1066576501.db2.gz	NZCSYLJJUGHGDV-VGOFMYFVSA-N	-2	0	523.723	3.631	40	10		KHCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)c1	ZINC000408787888	1066579323	/nfs/dbraw/zinc/57/93/23/1066579323.db2.gz	ANFXCJFBUQOMTE-MKMNVTDBSA-N	-2	0	646.175	3.642	40	10		KHCBRL
CCc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)C(=O)[N-]C1=S	ZINC000408790540	1066578654	/nfs/dbraw/zinc/57/86/54/1066578654.db2.gz	SHQHOOZITHCEHL-NTUHNPAUSA-N	-2	0	662.243	3.753	40	10		KHCBRL
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1I	ZINC000408791081	1066214312	/nfs/dbraw/zinc/21/43/12/1066214312.db2.gz	SWNLWQWKKHHDFV-UUILKARUSA-N	-2	0	713.085	3.953	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408808256	1066583278	/nfs/dbraw/zinc/58/32/78/1066583278.db2.gz	DRWJLMAIEDXLRL-QGMBQPNBSA-N	-2	0	507.886	3.841	40	10		KHCBRL
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C(=O)[N-]C2=S)c1	ZINC000408809733	1066582644	/nfs/dbraw/zinc/58/26/44/1066582644.db2.gz	HTNQOOIBVFWVGW-WSDLNYQXSA-N	-3	0	533.562	3.721	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408809816	1066582736	/nfs/dbraw/zinc/58/27/36/1066582736.db2.gz	JMRROIVDLPJCKO-CIAFOILYSA-N	-3	0	517.563	3.939	40	10		KHCBRL
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C(=O)[N-]C2=S)cc1	ZINC000408812195	1066581945	/nfs/dbraw/zinc/58/19/45/1066581945.db2.gz	COHSFENEXDIMGM-LPYMAVHISA-N	-3	0	533.562	3.721	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408814093	1066582268	/nfs/dbraw/zinc/58/22/68/1066582268.db2.gz	RJULPTYVOULQJT-CIAFOILYSA-N	-3	0	503.536	3.630	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408815878	1066581611	/nfs/dbraw/zinc/58/16/11/1066581611.db2.gz	SRZXYEZTAHWUFS-CIAFOILYSA-N	-3	0	517.563	3.939	40	10		KHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000408816494	1066215650	/nfs/dbraw/zinc/21/56/50/1066215650.db2.gz	LOESKNDOCAFDLV-LPYMAVHISA-N	-3	0	517.494	3.556	40	10		KHCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408821025	1066584750	/nfs/dbraw/zinc/58/47/50/1066584750.db2.gz	BOQHBSONWOXETH-WSDLNYQXSA-N	-3	0	501.495	3.774	40	10		KHCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408846446	1066220551	/nfs/dbraw/zinc/22/05/51/1066220551.db2.gz	JOWCSZHVVZWUQT-WSDLNYQXSA-N	-3	0	501.495	3.774	40	10		KHCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)c1	ZINC000408846615	1066593126	/nfs/dbraw/zinc/59/31/26/1066593126.db2.gz	QOAZOCXCSQUWAM-VGOFMYFVSA-N	-2	0	659.227	3.981	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408846808	1066593223	/nfs/dbraw/zinc/59/32/23/1066593223.db2.gz	SEBJAEGTXDQVHN-QGMBQPNBSA-N	-2	0	507.886	3.841	40	10		KHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1C	ZINC000408847072	1066220630	/nfs/dbraw/zinc/22/06/30/1066220630.db2.gz	MEMJWRAIKHVMCV-MKMNVTDBSA-N	-2	0	507.724	3.849	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408847476	1066596187	/nfs/dbraw/zinc/59/61/87/1066596187.db2.gz	MVHZYPLXXJXCDH-UDWIEESQSA-N	-3	0	503.536	3.630	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408847649	1066596262	/nfs/dbraw/zinc/59/62/62/1066596262.db2.gz	NXAZSUQJSJTHJV-LZYBPNLTSA-N	-2	0	517.332	3.594	40	10		KHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C2=O)cc1	ZINC000408847844	1066220585	/nfs/dbraw/zinc/22/05/85/1066220585.db2.gz	SOCJZPNKZRVQBQ-FYJGNVAPSA-N	-2	0	502.479	3.647	40	10		KHCBRL
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000408848678	1066595920	/nfs/dbraw/zinc/59/59/20/1066595920.db2.gz	SGPDFURNTFKBRY-FYJGNVAPSA-N	-2	0	518.547	3.812	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408849036	1066595948	/nfs/dbraw/zinc/59/59/48/1066595948.db2.gz	UURYGJXXUOJDMW-WSDLNYQXSA-N	-3	0	517.563	3.939	40	10		KHCBRL
O=c1[n-]c(=S)n(-c2ccccc2)c(O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	ZINC000408850538	1066595373	/nfs/dbraw/zinc/59/53/73/1066595373.db2.gz	BPVIQAPTMGUQBQ-BIXPWFSUSA-N	-2	0	568.655	3.728	40	10		KHCBRL
O=c1[n-]c(=S)n(-c2ccccc2)c(O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	ZINC000408850539	1066221624	/nfs/dbraw/zinc/22/16/24/1066221624.db2.gz	BPVIQAPTMGUQBQ-PYLVJIKSSA-N	-2	0	568.655	3.728	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408850542	1066221468	/nfs/dbraw/zinc/22/14/68/1066221468.db2.gz	BRGLXJBTIXUOPT-BJMVGYQFSA-N	-2	0	515.758	3.950	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408851077	1066595203	/nfs/dbraw/zinc/59/52/03/1066595203.db2.gz	HKIVECCXBPHVRO-UDWIEESQSA-N	-2	0	503.467	3.945	40	10		KHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)cc1C	ZINC000408851458	1066222459	/nfs/dbraw/zinc/22/24/59/1066222459.db2.gz	KBQNMXTWFONVHQ-MKMNVTDBSA-N	-2	0	599.175	3.800	40	10		KHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c([O-])c(I)c3)C2=O)cc1C	ZINC000408851704	1066595333	/nfs/dbraw/zinc/59/53/33/1066595333.db2.gz	MWLVICHAUOFUQG-AWNIVKPZSA-N	-2	0	588.139	3.885	40	10		KHCBRL
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C(=O)[N-]C2=S)cc1	ZINC000408852196	1066221369	/nfs/dbraw/zinc/22/13/69/1066221369.db2.gz	DCGDUGNWJXXAKU-LPYMAVHISA-N	-3	0	517.563	3.884	40	10		KHCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I	ZINC000408852303	1066595154	/nfs/dbraw/zinc/59/51/54/1066595154.db2.gz	SDIZQEYTXYWKGQ-UXBLZVDNSA-N	-2	0	577.183	3.893	40	10		KHCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000408852843	1066594568	/nfs/dbraw/zinc/59/45/68/1066594568.db2.gz	JGLQRGWZGLOXRQ-NTUHNPAUSA-N	-2	0	520.292	3.527	40	10		KHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1C	ZINC000408853075	1066594594	/nfs/dbraw/zinc/59/45/94/1066594594.db2.gz	POLUYLQWDXSMJY-MKMNVTDBSA-N	-2	0	552.175	3.958	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408854982	1066594101	/nfs/dbraw/zinc/59/41/01/1066594101.db2.gz	BOHBGRVGYUJKTM-WSDLNYQXSA-N	-3	0	517.563	3.939	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408855134	1066222175	/nfs/dbraw/zinc/22/21/75/1066222175.db2.gz	DUTVHRRVVMXMBB-BJMVGYQFSA-N	-2	0	607.209	3.901	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408855703	1066593440	/nfs/dbraw/zinc/59/34/40/1066593440.db2.gz	GSAJIQYYDQODFJ-LZYBPNLTSA-N	-2	0	517.332	3.594	40	10		KHCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c(OCC(=O)[O-])cc3Br)C2=O)c1	ZINC000408856506	1066593632	/nfs/dbraw/zinc/59/36/32/1066593632.db2.gz	KMLJEWBSPUANFL-CXUHLZMHSA-N	-2	0	577.384	3.775	40	10		KHCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408857166	1066593467	/nfs/dbraw/zinc/59/34/67/1066593467.db2.gz	SHZNVNZRKLUEHC-CIAFOILYSA-N	-3	0	501.495	3.774	40	10		KHCBRL
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c([O-])c(I)c1	ZINC000408908403	1066605573	/nfs/dbraw/zinc/60/55/73/1066605573.db2.gz	CGEUYHTYZZEAAT-NYYWCZLTSA-N	-2	0	531.075	3.565	40	10		KHCBRL
COc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000408917100	1066606126	/nfs/dbraw/zinc/60/61/26/1066606126.db2.gz	MOABWCNGSKQFGH-MOSHPQCFSA-N	-2	0	506.511	3.943	40	10		KHCBRL
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)c([O-])c(Br)c1	ZINC000408918756	1066613264	/nfs/dbraw/zinc/61/32/64/1066613264.db2.gz	ORFOTBCOLNUSMP-WZUFQYTHSA-N	-2	0	500.143	3.888	40	10		KHCBRL
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(I)c([O-])c(I)c1	ZINC000408919417	1066230356	/nfs/dbraw/zinc/23/03/56/1066230356.db2.gz	XNUYYZPYUVTFOZ-WZUFQYTHSA-N	-2	0	594.143	3.572	40	10		KHCBRL
CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000408933616	1066234008	/nfs/dbraw/zinc/23/40/08/1066234008.db2.gz	BCQUSBPZGCPVJT-MHWRWJLKSA-N	-2	0	564.332	3.843	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000408933880	1066617610	/nfs/dbraw/zinc/61/76/10/1066617610.db2.gz	BXJHKDUVRKNSAQ-KGENOOAVSA-N	-2	0	550.545	3.526	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408934596	1066235037	/nfs/dbraw/zinc/23/50/37/1066235037.db2.gz	FFIWOUGJCWNEFI-FYJGNVAPSA-N	-2	0	531.477	3.937	40	10		KHCBRL
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408935918	1066234669	/nfs/dbraw/zinc/23/46/69/1066234669.db2.gz	FDVGLEYHAWSWPU-DEDYPNTBSA-N	-2	0	540.937	3.781	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000408935952	1066616267	/nfs/dbraw/zinc/61/62/67/1066616267.db2.gz	FGMFVXHEVJWGFL-YBFXNURJSA-N	-2	0	662.414	3.741	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000408936408	1066615610	/nfs/dbraw/zinc/61/56/10/1066615610.db2.gz	GDOJUXOVXRGYGJ-YBFXNURJSA-N	-2	0	570.963	3.789	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408937259	1066615104	/nfs/dbraw/zinc/61/51/04/1066615104.db2.gz	IPELDWVMXHCKGQ-UDWIEESQSA-N	-2	0	517.450	3.547	40	10		KHCBRL
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Br)cc1	ZINC000408938621	1066625583	/nfs/dbraw/zinc/62/55/83/1066625583.db2.gz	LEZBUBAPFSEOQE-XDHOZWIPSA-N	-2	0	585.388	3.890	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000408939232	1066235675	/nfs/dbraw/zinc/23/56/75/1066235675.db2.gz	LYJDQBJRMHLIOX-YBFXNURJSA-N	-2	0	615.414	3.898	40	10		KHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)c(OCC)c1	ZINC000408941144	1066624306	/nfs/dbraw/zinc/62/43/06/1066624306.db2.gz	JWOKFDJQOWNIKC-LPYMAVHISA-N	-3	0	561.547	3.954	40	10		KHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C2=O)c(OC)c1	ZINC000408943794	1066621808	/nfs/dbraw/zinc/62/18/08/1066621808.db2.gz	MCHUMFOZLUIWED-UDWIEESQSA-N	-2	0	532.505	3.656	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCC	ZINC000408944773	1066621439	/nfs/dbraw/zinc/62/14/39/1066621439.db2.gz	VBAGOABGKZXSEZ-OQLLNIDSSA-N	-2	0	503.305	3.611	40	10		KHCBRL
CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000408945613	1066620605	/nfs/dbraw/zinc/62/06/05/1066620605.db2.gz	XCTXVNHTMAAJDO-OQLLNIDSSA-N	-2	0	503.305	3.611	40	10		KHCBRL
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Cl)cc1	ZINC000408946190	1066619791	/nfs/dbraw/zinc/61/97/91/1066619791.db2.gz	YLGLCDSZRDGDJC-XDHOZWIPSA-N	-2	0	540.937	3.781	40	10		KHCBRL
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408946501	1066619861	/nfs/dbraw/zinc/61/98/61/1066619861.db2.gz	YUCLYMHUTXOBAN-DEDYPNTBSA-N	-2	0	585.388	3.890	40	10		KHCBRL
O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)c1	ZINC000408947907	1066240377	/nfs/dbraw/zinc/24/03/77/1066240377.db2.gz	DNEZJRNFGPCMKE-SRZZPIQSSA-N	-2	0	509.474	3.783	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408953223	1066637374	/nfs/dbraw/zinc/63/73/74/1066637374.db2.gz	PFVZXSCKUSFQNS-QGMBQPNBSA-N	-2	0	642.358	3.972	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1	ZINC000408954617	1066636745	/nfs/dbraw/zinc/63/67/45/1066636745.db2.gz	RYAAZSGVXYFVGI-QGMBQPNBSA-N	-2	0	642.358	3.972	40	10		KHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000408959570	1066640099	/nfs/dbraw/zinc/64/00/99/1066640099.db2.gz	BDJAZIQNEWMOQI-DEDYPNTBSA-N	-2	0	502.479	3.647	40	10		KHCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)cc(Br)c3OCC(=O)[O-])C2=O)c1	ZINC000408962648	1066639366	/nfs/dbraw/zinc/63/93/66/1066639366.db2.gz	IXESEACDRAHAFJ-VIZOYTHASA-N	-2	0	599.175	3.800	40	10		KHCBRL
O=C([O-])COc1c(Br)cc(I)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408964784	1066639345	/nfs/dbraw/zinc/63/93/45/1066639345.db2.gz	SDNBOYHCKMDGEK-AWNIVKPZSA-N	-2	0	605.566	3.837	40	10		KHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)c(OC)c1	ZINC000408965479	1066639439	/nfs/dbraw/zinc/63/94/39/1066639439.db2.gz	HWPNRWANKBBVFT-UDWIEESQSA-N	-2	0	532.505	3.656	40	10		KHCBRL
O=C([O-])COc1c(Br)cc(I)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408967730	1066244390	/nfs/dbraw/zinc/24/43/90/1066244390.db2.gz	XIAFPSXWAKCKPK-AWNIVKPZSA-N	-2	0	650.017	3.946	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408982064	1066245531	/nfs/dbraw/zinc/24/55/31/1066245531.db2.gz	FLJYQXVGSANAJC-SXGWCWSVSA-N	-2	0	517.332	3.540	40	10		KHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)cc1	ZINC000408983903	1066650092	/nfs/dbraw/zinc/65/00/92/1066650092.db2.gz	ODGARYNYEYHMMZ-AUWJEWJLSA-N	-2	0	599.175	3.746	40	10		KHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)cc1Cl	ZINC000408984385	1066650299	/nfs/dbraw/zinc/65/02/99/1066650299.db2.gz	QIXMDDNLOSIPAF-QCDXTXTGSA-N	-2	0	666.593	3.987	40	10		KHCBRL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408985446	1066649336	/nfs/dbraw/zinc/64/93/36/1066649336.db2.gz	WWEJEKKQIQUYBB-ACAGNQJTSA-N	-2	0	523.723	3.549	40	10		KHCBRL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408985520	1066648523	/nfs/dbraw/zinc/64/85/23/1066648523.db2.gz	XFGYJSLQFQKNPW-ACAGNQJTSA-N	-2	0	523.723	3.549	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408985710	1066246993	/nfs/dbraw/zinc/24/69/93/1066246993.db2.gz	XXXMLWUIUSUMCL-NSIKDUERSA-N	-2	0	537.750	3.939	40	10		KHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(I)c3)C2=O)cc1	ZINC000408990298	1066657024	/nfs/dbraw/zinc/65/70/24/1066657024.db2.gz	WUUAPBCWMHDBRZ-QPEQYQDCSA-N	-2	0	541.139	3.988	40	10		KHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000408990376	1066656948	/nfs/dbraw/zinc/65/69/48/1066656948.db2.gz	XFZXCHQDTXPFRN-WCIBSUBMSA-N	-2	0	527.658	3.533	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409042637	1066690100	/nfs/dbraw/zinc/69/01/00/1066690100.db2.gz	NWBJMWPWHXRNLK-NTUHNPAUSA-N	-2	0	537.750	3.939	40	10		KHCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br	ZINC000409044134	1066688727	/nfs/dbraw/zinc/68/87/27/1066688727.db2.gz	AZDWCJKTXUMMOP-VZUCSPMQSA-N	-2	0	514.115	3.886	40	10		KHCBRL
O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000409045119	1066688149	/nfs/dbraw/zinc/68/81/49/1066688149.db2.gz	FOMHPTIOMSCPKS-WUXMJOGZSA-N	-2	0	514.115	3.886	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409045613	1066259212	/nfs/dbraw/zinc/25/92/12/1066259212.db2.gz	GQQQDFMPHZXRQS-MKMNVTDBSA-N	-2	0	523.723	3.631	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409046313	1066687366	/nfs/dbraw/zinc/68/73/66/1066687366.db2.gz	JZIZWNQNXYVPRA-NTUHNPAUSA-N	-2	0	584.750	3.782	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000409047338	1066694838	/nfs/dbraw/zinc/69/48/38/1066694838.db2.gz	OIAOGPBNTUICPN-HMAPJEAMSA-N	-2	0	516.506	3.794	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409049180	1066698624	/nfs/dbraw/zinc/69/86/24/1066698624.db2.gz	VLDAFIJLLUGJBY-KPKJPENVSA-N	-2	0	523.723	3.631	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409049487	1066694788	/nfs/dbraw/zinc/69/47/88/1066694788.db2.gz	XCHLNYBAMJAFAT-MKMNVTDBSA-N	-2	0	537.750	3.939	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409049731	1066697921	/nfs/dbraw/zinc/69/79/21/1066697921.db2.gz	YCCFXLRDBQJBDP-NYYWCZLTSA-N	-2	0	544.141	3.894	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409050137	195498373	/nfs/dbraw/zinc/49/83/73/195498373.db2.gz	ZHRHYCCDBDQCLU-NYYWCZLTSA-N	-2	0	591.141	3.736	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409053273	1066258891	/nfs/dbraw/zinc/25/88/91/1066258891.db2.gz	BQFXKXRNUBDESQ-WUXMJOGZSA-N	-2	0	523.723	3.549	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409056941	1066259645	/nfs/dbraw/zinc/25/96/45/1066259645.db2.gz	NRQTWYAEIAOGQG-MKMNVTDBSA-N	-2	0	584.750	3.782	40	10		KHCBRL
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br	ZINC000409065708	1066701205	/nfs/dbraw/zinc/70/12/05/1066701205.db2.gz	IXTPFUZUFNPXPK-UUILKARUSA-N	-2	0	558.566	3.995	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409067849	1066708565	/nfs/dbraw/zinc/70/85/65/1066708565.db2.gz	QEXGWLREPBKZJM-FYJGNVAPSA-N	-2	0	502.479	3.735	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409070258	1066707291	/nfs/dbraw/zinc/70/72/91/1066707291.db2.gz	FCBZQHHKKOWUQF-HYARGMPZSA-N	-2	0	544.516	3.816	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409070585	1066706321	/nfs/dbraw/zinc/70/63/21/1066706321.db2.gz	CJDPRHYQZCOOAI-VXLYETTFSA-N	-2	0	614.348	3.949	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409070587	1066706956	/nfs/dbraw/zinc/70/69/56/1066706956.db2.gz	CJISYKZEAICOOZ-RGVLZGJSSA-N	-2	0	517.450	3.547	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409071202	1066706563	/nfs/dbraw/zinc/70/65/63/1066706563.db2.gz	IOLVTRDIZCOIHZ-FYJGNVAPSA-N	-2	0	531.477	3.937	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409072729	1066705917	/nfs/dbraw/zinc/70/59/17/1066705917.db2.gz	DCDSDMMACJBAPT-CIAFOILYSA-N	-2	0	531.477	3.937	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409073022	1066705331	/nfs/dbraw/zinc/70/53/31/1066705331.db2.gz	WUVHOAWUZUHSCF-UDWIEESQSA-N	-2	0	517.450	3.547	40	10		KHCBRL
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Br	ZINC000409073078	1066705095	/nfs/dbraw/zinc/70/50/95/1066705095.db2.gz	XCQBMVZTTYIEPK-BJMVGYQFSA-N	-2	0	558.566	3.995	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409075857	1066704476	/nfs/dbraw/zinc/70/44/76/1066704476.db2.gz	YPBRWLLAVFBLFS-VXLYETTFSA-N	-2	0	522.897	3.998	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(OCC)c3)C2=O)cc1OC	ZINC000409125128	1066735213	/nfs/dbraw/zinc/73/52/13/1066735213.db2.gz	JDMAVWKPJJRMRB-RQZCQDPDSA-N	-2	0	546.960	3.662	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(OCC)c3)C2=O)cc1OC	ZINC000409125255	1066735268	/nfs/dbraw/zinc/73/52/68/1066735268.db2.gz	LLGKKLLBIOYRIS-RQZCQDPDSA-N	-2	0	591.411	3.771	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCC(=O)[O-])c(OCC)c3)C2=O)cc1OC	ZINC000409135635	1066736918	/nfs/dbraw/zinc/73/69/18/1066736918.db2.gz	RMVOPTQHWVLHKN-RQZCQDPDSA-N	-2	0	638.411	3.613	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1OC	ZINC000409144527	1066739469	/nfs/dbraw/zinc/73/94/69/1066739469.db2.gz	OHSQIWOTIBOTHW-VIZOYTHASA-N	-2	0	537.352	3.916	40	10		KHCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)o2)c1	ZINC000409164555	1066748884	/nfs/dbraw/zinc/74/88/84/1066748884.db2.gz	KDUSFCBAIFFOQO-AWQFTUOYSA-N	-2	0	536.474	3.747	40	10		KHCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409186308	1066758267	/nfs/dbraw/zinc/75/82/67/1066758267.db2.gz	AEFMJOBXYFJKFO-QGOAFFKASA-N	-2	0	506.511	3.943	40	10		KHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000409187619	1066763038	/nfs/dbraw/zinc/76/30/38/1066763038.db2.gz	SOBQAXRVHHUMOE-KGENOOAVSA-N	-2	0	502.479	3.647	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1OCC	ZINC000409188558	1066763196	/nfs/dbraw/zinc/76/31/96/1066763196.db2.gz	DDPUVQKZJKONOR-LICLKQGHSA-N	-2	0	516.934	3.653	40	10		KHCBRL
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)c(C)c1	ZINC000409188603	1066763135	/nfs/dbraw/zinc/76/31/35/1066763135.db2.gz	FKHSPYYKXVVOJG-FYJGNVAPSA-N	-2	0	517.563	3.719	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OC(C)C	ZINC000409188903	1066763050	/nfs/dbraw/zinc/76/30/50/1066763050.db2.gz	BXRYYVKRSOYGNX-OVCLIPMQSA-N	-2	0	566.373	3.617	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000409189280	1066762948	/nfs/dbraw/zinc/76/29/48/1066762948.db2.gz	OOZZYNYKMNVPAK-RGVLZGJSSA-N	-3	0	503.536	3.630	40	10		KHCBRL
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)c1	ZINC000409189575	1066762601	/nfs/dbraw/zinc/76/26/01/1066762601.db2.gz	QRCGXZJIWRPYPS-HYARGMPZSA-N	-2	0	517.563	3.800	40	10		KHCBRL
CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000409189651	1066762368	/nfs/dbraw/zinc/76/23/68/1066762368.db2.gz	MFYLIKBPYYFECU-OQLLNIDSSA-N	-2	0	519.373	3.776	40	10		KHCBRL
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1	ZINC000409189697	1066762247	/nfs/dbraw/zinc/76/22/47/1066762247.db2.gz	NGIAQDCWSREKAX-LPYMAVHISA-N	-2	0	502.552	3.582	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C	ZINC000409189715	1066762629	/nfs/dbraw/zinc/76/26/29/1066762629.db2.gz	RTGPRTQKQUEBMB-UDWIEESQSA-N	-2	0	504.524	3.840	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1	ZINC000409189980	1066762588	/nfs/dbraw/zinc/76/25/88/1066762588.db2.gz	OZOCTLGCLRWPDP-RGVLZGJSSA-N	-2	0	504.524	3.840	40	10		KHCBRL
COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000409190246	1066762411	/nfs/dbraw/zinc/76/24/11/1066762411.db2.gz	QPDQMQKPLUHGDI-KGENOOAVSA-N	-2	0	518.547	3.812	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000409190716	1066762333	/nfs/dbraw/zinc/76/23/33/1066762333.db2.gz	QACFPDOEJRLEIB-UDWIEESQSA-N	-3	0	503.536	3.630	40	10		KHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000409190791	1066271125	/nfs/dbraw/zinc/27/11/25/1066271125.db2.gz	QVDOAQITRSAKKQ-HYARGMPZSA-N	-2	0	524.558	3.810	40	10		KHCBRL
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1	ZINC000409190979	1066762477	/nfs/dbraw/zinc/76/24/77/1066762477.db2.gz	XOMLPKJEAIYXKZ-HYARGMPZSA-N	-2	0	517.563	3.800	40	10		KHCBRL
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)c1	ZINC000409191106	1066762637	/nfs/dbraw/zinc/76/26/37/1066762637.db2.gz	SIHUGIDBVVNIQJ-CIAFOILYSA-N	-2	0	517.563	3.719	40	10		KHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)[N-]C2=S)cc1	ZINC000409191246	1066762445	/nfs/dbraw/zinc/76/24/45/1066762445.db2.gz	FGTZTVSPBCBWQE-LDADJPATSA-N	-2	0	543.342	3.611	40	10		KHCBRL
CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000409191852	1066270948	/nfs/dbraw/zinc/27/09/48/1066270948.db2.gz	OTTOOYYZJFBNMQ-OQLLNIDSSA-N	-2	0	519.373	3.776	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCC	ZINC000409192195	1066761938	/nfs/dbraw/zinc/76/19/38/1066761938.db2.gz	VLSNALMFSBECRH-OQLLNIDSSA-N	-2	0	566.373	3.618	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000409192300	1066761957	/nfs/dbraw/zinc/76/19/57/1066761957.db2.gz	AQHDZCGTWCNPOS-VXLYETTFSA-N	-3	0	523.954	3.975	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1OCC	ZINC000409192315	1066761797	/nfs/dbraw/zinc/76/17/97/1066761797.db2.gz	CGEIEXUWTHHARN-LICLKQGHSA-N	-2	0	561.385	3.762	40	10		KHCBRL
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000409192490	1066270796	/nfs/dbraw/zinc/27/07/96/1066270796.db2.gz	DGSMHXNPGGFMFY-YBFXNURJSA-N	-2	0	520.523	3.540	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1OCC	ZINC000409192563	1066761815	/nfs/dbraw/zinc/76/18/15/1066761815.db2.gz	DZXLMOGLCBYFIM-RQZCQDPDSA-N	-2	0	546.960	3.662	40	10		KHCBRL
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000409192901	1066761842	/nfs/dbraw/zinc/76/18/42/1066761842.db2.gz	GVJIREIAQHMVSM-YBFXNURJSA-N	-2	0	520.523	3.540	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1OCC	ZINC000409193353	1066760241	/nfs/dbraw/zinc/76/02/41/1066760241.db2.gz	JGTZVUIIPVEMHY-RQZCQDPDSA-N	-2	0	638.411	3.613	40	10		KHCBRL
COc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)c([N+](=O)[O-])c1	ZINC000409193536	1066761886	/nfs/dbraw/zinc/76/18/86/1066761886.db2.gz	FZCOGTHDANCTNZ-YBFXNURJSA-N	-2	0	520.523	3.540	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OC(C)C	ZINC000409193663	1066761386	/nfs/dbraw/zinc/76/13/86/1066761386.db2.gz	KXIWIIWBFIQCJK-OVCLIPMQSA-N	-2	0	519.373	3.774	40	10		KHCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1OCC	ZINC000409195182	1066760887	/nfs/dbraw/zinc/76/08/87/1066760887.db2.gz	SBVUJAQLYSSUQM-RQZCQDPDSA-N	-2	0	591.411	3.771	40	10		KHCBRL
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)c1C	ZINC000409195513	1066760905	/nfs/dbraw/zinc/76/09/05/1066760905.db2.gz	VZHDKEPSNKRSGQ-FYJGNVAPSA-N	-2	0	517.563	3.719	40	10		KHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000409195736	1066760867	/nfs/dbraw/zinc/76/08/67/1066760867.db2.gz	RVHTWBAABGOJMO-LPYMAVHISA-N	-2	0	542.548	3.949	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCC	ZINC000409195807	1066760755	/nfs/dbraw/zinc/76/07/55/1066760755.db2.gz	WBJKQWZCOJXVCD-OQLLNIDSSA-N	-2	0	519.373	3.776	40	10		KHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000409196039	1066760849	/nfs/dbraw/zinc/76/08/49/1066760849.db2.gz	YIKCWUMTJOEBNJ-UDWIEESQSA-N	-3	0	503.536	3.630	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(Br)c(Br)c1O	ZINC000409196417	1066760211	/nfs/dbraw/zinc/76/02/11/1066760211.db2.gz	ZZJOUIIDMJHDEO-KPKJPENVSA-N	-2	0	570.215	3.845	40	10		KHCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c1	ZINC000409207260	1066762976	/nfs/dbraw/zinc/76/29/76/1066762976.db2.gz	UYIBIENBUSYPGP-HZHRSRAPSA-N	-2	0	561.572	3.728	40	10		KHCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)c1	ZINC000409207685	1066766590	/nfs/dbraw/zinc/76/65/90/1066766590.db2.gz	XJAZDPIUKLUWEG-SRZZPIQSSA-N	-2	0	550.501	3.789	40	10		KHCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)c1	ZINC000409269766	1066782286	/nfs/dbraw/zinc/78/22/86/1066782286.db2.gz	DMFYOGPSBPYGRG-WSDLNYQXSA-N	-2	0	532.530	3.964	40	10		KHCBRL
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)SC2=S)cc1	ZINC000409350024	1066281552	/nfs/dbraw/zinc/28/15/52/1066281552.db2.gz	WWROUSQIYSLRTI-YBFXNURJSA-N	-2	0	524.532	3.898	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409371026	1066811624	/nfs/dbraw/zinc/81/16/24/1066811624.db2.gz	CRCJPEAWIXVKMC-GIJQJNRQSA-N	-2	0	510.886	3.881	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1	ZINC000409371032	1066811678	/nfs/dbraw/zinc/81/16/78/1066811678.db2.gz	AKVDHXMYNOEYBS-GIJQJNRQSA-N	-2	0	602.337	3.832	40	10		KHCBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2Br)cc1	ZINC000409372314	1066811107	/nfs/dbraw/zinc/81/11/07/1066811107.db2.gz	KAXLKPUGYYSUMJ-VCHYOVAHSA-N	-2	0	525.311	3.981	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409373006	1066283595	/nfs/dbraw/zinc/28/35/95/1066283595.db2.gz	PCNZPGPVDMUXFA-GIJQJNRQSA-N	-2	0	555.337	3.990	40	10		KHCBRL
O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000409373303	1066810419	/nfs/dbraw/zinc/81/04/19/1066810419.db2.gz	GUUMPGSZJFFXGQ-YBFXNURJSA-N	-2	0	525.311	3.981	40	10		KHCBRL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2I)cc1	ZINC000409373417	1066810573	/nfs/dbraw/zinc/81/05/73/1066810573.db2.gz	RVPNQLUCUGBWMC-VCHYOVAHSA-N	-2	0	572.311	3.823	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409373479	1066810534	/nfs/dbraw/zinc/81/05/34/1066810534.db2.gz	TYPUNZNQEAYGLJ-GIJQJNRQSA-N	-2	0	602.337	3.832	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000409374425	1066810517	/nfs/dbraw/zinc/81/05/17/1066810517.db2.gz	PEXHSZXBOGYNCG-GIJQJNRQSA-N	-2	0	555.337	3.990	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000409374619	1066809770	/nfs/dbraw/zinc/80/97/70/1066809770.db2.gz	VDYKNOWCROMOQQ-GIJQJNRQSA-N	-2	0	510.886	3.881	40	10		KHCBRL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2Br)c1	ZINC000409374678	1066809890	/nfs/dbraw/zinc/80/98/90/1066809890.db2.gz	WMHKHTYBBIPLBK-VCHYOVAHSA-N	-2	0	525.311	3.981	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409377662	1066813410	/nfs/dbraw/zinc/81/34/10/1066813410.db2.gz	JZHUPGHHRPWKFL-CXUHLZMHSA-N	-2	0	533.400	3.705	40	10		KHCBRL
CCc1ccc(N2C(=O)/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)[N-]C2=S)cc1	ZINC000409378226	1066812745	/nfs/dbraw/zinc/81/27/45/1066812745.db2.gz	NMFJHRVXYAKGRW-NTUHNPAUSA-N	-2	0	604.207	3.995	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409380012	1066285186	/nfs/dbraw/zinc/28/51/86/1066285186.db2.gz	FTRIWTVWSNEBOW-CXUHLZMHSA-N	-2	0	533.400	3.705	40	10		KHCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409384226	1066816882	/nfs/dbraw/zinc/81/68/82/1066816882.db2.gz	BHZUDXRBLPPPGQ-CXUHLZMHSA-N	-2	0	580.400	3.547	40	10		KHCBRL
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000409384426	1066816909	/nfs/dbraw/zinc/81/69/09/1066816909.db2.gz	BJFZOOFMJZOVFV-XDHOZWIPSA-N	-2	0	522.535	3.795	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409384469	1066816915	/nfs/dbraw/zinc/81/69/15/1066816915.db2.gz	CMLKWIHMDXPDNW-RQZCQDPDSA-N	-2	0	541.310	3.994	40	10		KHCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409384722	1066816158	/nfs/dbraw/zinc/81/61/58/1066816158.db2.gz	CXKDZJSJMUHCAN-LICLKQGHSA-N	-2	0	541.310	3.994	40	10		KHCBRL
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000409384996	1066816189	/nfs/dbraw/zinc/81/61/89/1066816189.db2.gz	HFQXDNMUKJFARR-XDHOZWIPSA-N	-2	0	506.536	3.959	40	10		KHCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C(=O)[N-]C1=S	ZINC000409385415	1066816242	/nfs/dbraw/zinc/81/62/42/1066816242.db2.gz	LHRACPKFLWENTO-LDADJPATSA-N	-2	0	506.536	3.959	40	10		KHCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C(=O)[N-]C2=S)c1	ZINC000409385424	1066284092	/nfs/dbraw/zinc/28/40/92/1066284092.db2.gz	LOTQYJDFZLFLHP-YBFXNURJSA-N	-2	0	522.535	3.795	40	10		KHCBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C2=O)c1	ZINC000409385839	1066815719	/nfs/dbraw/zinc/81/57/19/1066815719.db2.gz	NFLGMRLABLZLIM-YBFXNURJSA-N	-2	0	506.467	3.631	40	10		KHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C2=O)cc1	ZINC000409386295	1066815024	/nfs/dbraw/zinc/81/50/24/1066815024.db2.gz	RYOPBQGPORYGQC-XDHOZWIPSA-N	-2	0	506.467	3.631	40	10		KHCBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409398417	1066829358	/nfs/dbraw/zinc/82/93/58/1066829358.db2.gz	ANNWMLWWSLASKP-AAIQCTMTSA-N	-2	0	540.164	3.534	40	10		KHCBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409398418	1066829463	/nfs/dbraw/zinc/82/94/63/1066829463.db2.gz	ANNWMLWWSLASKP-GARZTLJTSA-N	-2	0	540.164	3.534	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)[O-]	ZINC000409399055	1066286530	/nfs/dbraw/zinc/28/65/30/1066286530.db2.gz	FNSDIKRFKDTZRC-JYRVWZFOSA-N	-2	0	540.164	3.535	40	10		KHCBRL
C[C@H](Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)C(=O)[O-]	ZINC000409399073	1066828335	/nfs/dbraw/zinc/82/83/35/1066828335.db2.gz	FRLWMJWVQVKVCA-BNDQCTAISA-N	-2	0	510.138	3.525	40	10		KHCBRL
C[C@@H](Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)C(=O)[O-]	ZINC000409399076	1066828379	/nfs/dbraw/zinc/82/83/79/1066828379.db2.gz	FRLWMJWVQVKVCA-QVASGMJFSA-N	-2	0	510.138	3.525	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1	ZINC000409399114	1066828322	/nfs/dbraw/zinc/82/83/22/1066828322.db2.gz	FYJRVFDVEXHNMA-NDENLUEZSA-N	-2	0	503.467	3.732	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409399255	1066828309	/nfs/dbraw/zinc/82/83/09/1066828309.db2.gz	HEEVFXFQTBCHGS-HOXUKUGESA-N	-2	0	554.191	3.924	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409399256	1066828351	/nfs/dbraw/zinc/82/83/51/1066828351.db2.gz	HEEVFXFQTBCHGS-RLIURORJSA-N	-2	0	554.191	3.924	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409400089	1066826260	/nfs/dbraw/zinc/82/62/60/1066826260.db2.gz	ORGCOAPNNVLCHC-HOXUKUGESA-N	-2	0	509.740	3.815	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409400090	1066826271	/nfs/dbraw/zinc/82/62/71/1066826271.db2.gz	ORGCOAPNNVLCHC-RLIURORJSA-N	-2	0	509.740	3.815	40	10		KHCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1	ZINC000409400931	1066833548	/nfs/dbraw/zinc/83/35/48/1066833548.db2.gz	VRFHQWPKFCYUBY-NDENLUEZSA-N	-2	0	503.467	3.732	40	10		KHCBRL
O=C1C(=NNc2c(O)ccc3cc(S(=O)(=O)[O-])ccc32)c2ccccc2C(S(=O)(=O)[O-])=C1S(=O)(=O)[O-]	ZINC000584577857	1066297244	/nfs/dbraw/zinc/29/72/44/1066297244.db2.gz	XZCNWOOPLYLBII-QURGRASLSA-N	-3	0	554.536	3.560	40	10		KHCBRL