smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1	ZINC000408938633	556897171	/nfs/dbraw/zinc/89/71/71/556897171.db2.gz	LHSRIZKNDGXRKH-XSFVSMFZSA-N	-2	0	442.427	3.630	40	10		IHCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000409196394	556994411	/nfs/dbraw/zinc/99/44/11/556994411.db2.gz	ZWNFRPPWAZTMCX-UZUMKDMXSA-N	-2	0	447.516	3.735	40	10		IHCBRL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)[O-]	ZINC000059247832	557818951	/nfs/dbraw/zinc/81/89/51/557818951.db2.gz	OCENCLIOBCXDIB-YWEFTTLKSA-N	-2	0	449.246	3.512	40	10		IHCBRL
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(F)cc1	ZINC000004803977	556012454	/nfs/dbraw/zinc/01/24/54/556012454.db2.gz	BSFZQINPSIDCHP-VHEBQXMUSA-N	-2	0	426.403	3.593	40	10		IHCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-]	ZINC000409188844	556988692	/nfs/dbraw/zinc/98/86/92/556988692.db2.gz	GVUBIGWNNSFNFN-SEEODLKFSA-N	-2	0	449.246	3.512	40	10		IHCBRL
CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000409190550	556991556	/nfs/dbraw/zinc/99/15/56/556991556.db2.gz	ZHDLBBFXKQYTRL-OQLLNIDSSA-N	-2	0	444.896	3.657	40	10		IHCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@H](C)C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000409191575	556991928	/nfs/dbraw/zinc/99/19/28/556991928.db2.gz	ZKYTXNCUTASVTA-QFGUUYLXSA-N	-2	0	447.516	3.681	40	10		IHCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)[O-]	ZINC000409192882	556992541	/nfs/dbraw/zinc/99/25/41/556992541.db2.gz	GPRWWBVOTHJPPO-LZAIMSLLSA-N	-2	0	449.246	3.512	40	10		IHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)cc1	ZINC000409193375	556992713	/nfs/dbraw/zinc/99/27/13/556992713.db2.gz	JSXCCMYNQQPRDV-ITRAFESCSA-N	-2	0	431.448	3.516	40	10		IHCBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409234531	557025889	/nfs/dbraw/zinc/02/58/89/557025889.db2.gz	LMCBXQIKQLDUCQ-LGMDPLHJSA-N	-2	0	446.415	3.710	40	10		IHCBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)c1	ZINC000032180940	556537205	/nfs/dbraw/zinc/53/72/05/556537205.db2.gz	KRHLWXCOXRGGLK-WJDWOHSUSA-N	-2	0	436.807	3.965	40	10		IHCBRL
O=C([O-])c1ccc(N2N=C(c3ccccc3)/C(=C/c3cccc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000013914373	556662131	/nfs/dbraw/zinc/66/21/31/556662131.db2.gz	ITCSKAMWSYOMIK-AQTBWJFISA-N	-2	0	429.388	3.833	40	10		IHCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000409119836	556961127	/nfs/dbraw/zinc/96/11/27/556961127.db2.gz	TXFGPEWXHGVTQU-DEDYPNTBSA-N	-2	0	445.500	3.624	40	10		IHCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@@H](C)C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000409191576	556991897	/nfs/dbraw/zinc/99/18/97/556991897.db2.gz	ZKYTXNCUTASVTA-RAOBZKRQSA-N	-2	0	447.516	3.681	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000016249358	556594525	/nfs/dbraw/zinc/59/45/25/556594525.db2.gz	GWHCVKYXXPULJD-GDNBJRDFSA-N	-2	0	429.263	3.655	40	10		IHCBRL
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000409190838	556991525	/nfs/dbraw/zinc/99/15/25/556991525.db2.gz	WRXMWUINEXBIEB-NFECSFHCSA-N	-2	0	447.516	3.681	40	10		IHCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)c1	ZINC000409192932	556992482	/nfs/dbraw/zinc/99/24/82/556992482.db2.gz	GEJQSXBQNGOKHC-UZUMKDMXSA-N	-2	0	431.448	3.570	40	10		IHCBRL
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1C	ZINC000409193307	556992716	/nfs/dbraw/zinc/99/27/16/556992716.db2.gz	JANJSICHDGHMOA-DEDYPNTBSA-N	-2	0	445.500	3.624	40	10		IHCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)c1	ZINC000002119670	132248061	/nfs/dbraw/zinc/24/80/61/132248061.db2.gz	HAZBRBLEPNPFPL-XDHOZWIPSA-N	-2	0	430.416	3.928	40	10		IHCBRL
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000408959784	556899789	/nfs/dbraw/zinc/89/97/89/556899789.db2.gz	FWHWMKXOMPFFSH-XSFVSMFZSA-N	-2	0	442.427	3.630	40	10		IHCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-]	ZINC000409190543	556991481	/nfs/dbraw/zinc/99/14/81/556991481.db2.gz	RYVSMPVTNDCLGJ-XNFYSYIQSA-N	-2	0	449.246	3.512	40	10		IHCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)c1C	ZINC000409194223	556993242	/nfs/dbraw/zinc/99/32/42/556993242.db2.gz	PFRFVWRMVPIXTD-BRFSQIRFSA-N	-2	0	447.516	3.735	40	10		IHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409215308	557010180	/nfs/dbraw/zinc/01/01/80/557010180.db2.gz	XEBJRGADPLMENP-CPNJWEJPSA-N	-2	0	445.500	3.624	40	10		IHCBRL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000059303188	557822137	/nfs/dbraw/zinc/82/21/37/557822137.db2.gz	XAFAZDUOWHJIDA-CEITULEQSA-N	-2	0	449.246	3.512	40	10		IHCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1	ZINC000408740447	556212693	/nfs/dbraw/zinc/21/26/93/556212693.db2.gz	KTAFDSJSSWRZBC-CPNJWEJPSA-N	-2	0	446.415	3.710	40	10		IHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4[O-])o3)C2=O)cc1	ZINC000408785678	556855818	/nfs/dbraw/zinc/85/58/18/556855818.db2.gz	AQKFMTGTZAHPTN-GZTJUZNOSA-N	-2	0	433.376	3.535	40	10		IHCBRL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)o2)cc1	ZINC000408917652	556889004	/nfs/dbraw/zinc/88/90/04/556889004.db2.gz	ZGTJHGZAEFENDW-BOPFTXTBSA-N	-2	0	436.420	3.615	40	10		IHCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c1	ZINC000408961917	556901168	/nfs/dbraw/zinc/90/11/68/556901168.db2.gz	VMWHJBVCELFJBT-XDHOZWIPSA-N	-2	0	430.416	3.928	40	10		IHCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409203387	557002380	/nfs/dbraw/zinc/00/23/80/557002380.db2.gz	WWGBQCXSDFHXGA-DEDYPNTBSA-N	-2	0	443.459	3.767	40	10		IHCBRL
Cc1ccccc1N1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000014132983	557421599	/nfs/dbraw/zinc/42/15/99/557421599.db2.gz	AVWVGKUPPYSPBI-LDADJPATSA-N	-2	0	430.416	3.928	40	10		IHCBRL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)cc1Cl	ZINC000408692136	556094463	/nfs/dbraw/zinc/09/44/63/556094463.db2.gz	FBLOVQJZOAKOAB-XNTDXEJSSA-N	-2	0	428.828	3.703	40	10		IHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408692143	556094565	/nfs/dbraw/zinc/09/45/65/556094565.db2.gz	FGGYYUVYCHJHBD-XDHOZWIPSA-N	-2	0	435.480	3.505	40	10		IHCBRL
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2)cc1	ZINC000409063388	556940394	/nfs/dbraw/zinc/94/03/94/556940394.db2.gz	BBLSJSUUTMXRFB-STZFKDTASA-N	-2	0	442.427	3.630	40	10		IHCBRL
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1C	ZINC000409126158	556965381	/nfs/dbraw/zinc/96/53/81/556965381.db2.gz	NZUPVBIMCIUFHK-CPNJWEJPSA-N	-2	0	445.500	3.624	40	10		IHCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)[O-]	ZINC000409192884	556992414	/nfs/dbraw/zinc/99/24/14/556992414.db2.gz	GPRWWBVOTHJPPO-QSARLWQPSA-N	-2	0	449.246	3.512	40	10		IHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409213363	557007840	/nfs/dbraw/zinc/00/78/40/557007840.db2.gz	SYLFMGNGOSGOMR-SFQUDFHCSA-N	-2	0	447.422	3.598	40	10		IHCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)c1C	ZINC000409194554	556993428	/nfs/dbraw/zinc/99/34/28/556993428.db2.gz	PQPMJENKGYFUME-BRFSQIRFSA-N	-2	0	431.448	3.570	40	10		IHCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409241697	557031922	/nfs/dbraw/zinc/03/19/22/557031922.db2.gz	SZVQGUZVTXYMHY-SFQUDFHCSA-N	-2	0	449.850	3.804	40	10		IHCBRL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)o1	ZINC000009259681	132311355	/nfs/dbraw/zinc/31/13/55/132311355.db2.gz	UDTSNAGSJROICC-WQRHYEAKSA-N	-2	0	434.379	3.759	40	10		IHCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000015013102	556484028	/nfs/dbraw/zinc/48/40/28/556484028.db2.gz	LASXPKWCGXMZJI-FBKCMUNRSA-N	-2	0	438.436	3.671	40	10		IHCBRL
CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000409107566	556959373	/nfs/dbraw/zinc/95/93/73/556959373.db2.gz	RXXLEOYOLOCBEA-XMHGGMMESA-N	-2	0	445.500	3.569	40	10		IHCBRL
O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)ccc1Cl	ZINC000409207742	556996738	/nfs/dbraw/zinc/99/67/38/556996738.db2.gz	YWGRORJPPYRIHW-GDNBJRDFSA-N	-2	0	428.828	3.703	40	10		IHCBRL
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Cl)c([O-])c(Br)c1	ZINC000038177617	569260189	/nfs/dbraw/zinc/26/01/89/569260189.db2.gz	VCOMBLGOEUJFDJ-ONNFQVAWSA-N	-2	0	425.622	3.903	40	10		IHCBRL
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000408830726	556866719	/nfs/dbraw/zinc/86/67/19/556866719.db2.gz	PVDHJNBVSPVAKC-MDWZMJQESA-N	-2	0	449.246	3.757	40	10		IHCBRL
O=C([O-])c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1	ZINC000408937810	556896899	/nfs/dbraw/zinc/89/68/99/556896899.db2.gz	PAGSEXZGKGMSSD-GHXNOFRVSA-N	-2	0	438.745	3.723	40	10		IHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409188852	556988874	/nfs/dbraw/zinc/98/88/74/556988874.db2.gz	BBBQFLSGAZRVNI-GZTJUZNOSA-N	-2	0	436.420	3.615	40	10		IHCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(ccn3[C@@H](C)C(=O)[O-])c2)C1=O	ZINC000409195860	556994159	/nfs/dbraw/zinc/99/41/59/556994159.db2.gz	WKWVCTYWMVFEGH-RAOBZKRQSA-N	-2	0	431.448	3.516	40	10		IHCBRL
Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000409189450	556995769	/nfs/dbraw/zinc/99/57/69/556995769.db2.gz	GQZAZSRMNNQPOF-CPNJWEJPSA-N	-2	0	445.500	3.624	40	10		IHCBRL
CCCC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(OC)c1[O-]	ZINC000101549750	568791673	/nfs/dbraw/zinc/79/16/73/568791673.db2.gz	TZOIADGBFHNWKS-MHWRWJLKSA-N	-2	0	425.397	3.594	40	10		IHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000032186367	556537221	/nfs/dbraw/zinc/53/72/21/556537221.db2.gz	QROWPEYGIUVPOC-UNOMPAQXSA-N	-2	0	430.416	3.928	40	10		IHCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(ccn3[C@H](C)C(=O)[O-])c2)C1=O	ZINC000409195858	556994223	/nfs/dbraw/zinc/99/42/23/556994223.db2.gz	WKWVCTYWMVFEGH-QFGUUYLXSA-N	-2	0	431.448	3.516	40	10		IHCBRL
O=C([O-])c1cc(C(=O)C(=O)c2cc(C(=O)[O-])c(O)c3ccccc23)c2ccccc2c1O	ZINC000001565922	555703184	/nfs/dbraw/zinc/70/31/84/555703184.db2.gz	BRCWHTNRFUVIQT-UHFFFAOYSA-N	-2	0	430.368	3.866	40	10	in-vivo	IHCBRL
CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3[O-])C(=O)[N-]C2=S)c1	ZINC000408743774	556224288	/nfs/dbraw/zinc/22/42/88/556224288.db2.gz	YBWMJUYSYABYSU-AUWJEWJLSA-N	-2	0	437.304	3.929	40	10		IHCBRL
CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408946201	556897577	/nfs/dbraw/zinc/89/75/77/556897577.db2.gz	YLVLZZZSBPQGCO-XSFVSMFZSA-N	-2	0	444.443	3.993	40	10		IHCBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)o1	ZINC000409022202	556922701	/nfs/dbraw/zinc/92/27/01/556922701.db2.gz	IVLSYDQJUYVIEK-GZTJUZNOSA-N	-2	0	436.420	3.615	40	10		IHCBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1=O	ZINC000409230118	557021908	/nfs/dbraw/zinc/02/19/08/557021908.db2.gz	BOEWJGNPKZZQDT-GHRIWEEISA-N	-2	0	446.415	3.710	40	10		IHCBRL
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000409241099	557031320	/nfs/dbraw/zinc/03/13/20/557031320.db2.gz	IOZSBVFUUGWCSQ-CPNJWEJPSA-N	-2	0	445.500	3.624	40	10		IHCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408773176	556848019	/nfs/dbraw/zinc/84/80/19/556848019.db2.gz	PSUIRPSDOXFHQS-DEDYPNTBSA-N	-2	0	443.459	3.767	40	10		IHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)cc1C	ZINC000409193984	556993186	/nfs/dbraw/zinc/99/31/86/556993186.db2.gz	JPQWMCLCYFRUGL-UZUMKDMXSA-N	-2	0	431.448	3.570	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104091029	557320387	/nfs/dbraw/zinc/32/03/87/557320387.db2.gz	SDZSHIYIHKWCSG-KTVWJZFRSA-N	-2	0	440.510	3.819	40	10		IHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408692174	556094920	/nfs/dbraw/zinc/09/49/20/556094920.db2.gz	GJYPZWNZJNVGNQ-YBFXNURJSA-N	-2	0	435.480	3.505	40	10		IHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408692293	556095163	/nfs/dbraw/zinc/09/51/63/556095163.db2.gz	JFHRAEOEZFISPB-XDHOZWIPSA-N	-2	0	435.480	3.505	40	10		IHCBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1	ZINC000409192401	556992149	/nfs/dbraw/zinc/99/21/49/556992149.db2.gz	WTWPEVFXCMVIFS-MOSHPQCFSA-N	-2	0	445.500	3.624	40	10		IHCBRL
CC(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000409223219	557017610	/nfs/dbraw/zinc/01/76/10/557017610.db2.gz	DOZYGTMKZPXSAQ-YBFXNURJSA-N	-2	0	447.516	3.681	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104090836	557320084	/nfs/dbraw/zinc/32/00/84/557320084.db2.gz	SOYVDBUUZKUJMU-NVWMPKGRSA-N	-2	0	434.481	3.757	40	10		IHCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)c1C	ZINC000409194556	556993404	/nfs/dbraw/zinc/99/34/04/556993404.db2.gz	PQPMJENKGYFUME-GYZOOYGHSA-N	-2	0	431.448	3.570	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104091034	557320373	/nfs/dbraw/zinc/32/03/73/557320373.db2.gz	SDZSHIYIHKWCSG-BFQBXFRASA-N	-2	0	440.510	3.819	40	10		IHCBRL
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000016160840	556586065	/nfs/dbraw/zinc/58/60/65/556586065.db2.gz	JVQDPDLLKWEIHZ-GDNBJRDFSA-N	-2	0	447.232	3.708	40	10		IHCBRL
COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1C(C)C	ZINC000409190744	556991438	/nfs/dbraw/zinc/99/14/38/556991438.db2.gz	QJAUDSSQSWUIAE-WOJGMQOQSA-N	-2	0	438.505	3.657	40	10		IHCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)ccc21	ZINC000409195725	556993935	/nfs/dbraw/zinc/99/39/35/556993935.db2.gz	VPDXNZFAISVBNR-VAKHEIKFSA-N	-2	0	437.839	3.607	40	10		IHCBRL
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000409234380	557025572	/nfs/dbraw/zinc/02/55/72/557025572.db2.gz	ZRDCRHJKCLYNEY-ATVHPVEESA-N	-2	0	432.457	3.785	40	10		IHCBRL
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)[O-]	ZINC000059247833	557818947	/nfs/dbraw/zinc/81/89/47/557818947.db2.gz	OCENCLIOBCXDIB-QQMDNXKGSA-N	-2	0	449.246	3.512	40	10		IHCBRL
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000059303192	557822174	/nfs/dbraw/zinc/82/21/74/557822174.db2.gz	XAFAZDUOWHJIDA-WWNSAXIVSA-N	-2	0	449.246	3.512	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000043443339	563120411	/nfs/dbraw/zinc/12/04/11/563120411.db2.gz	SOYVDBUUZKUJMU-TWMRLEJJSA-N	-2	0	434.481	3.757	40	10		IHCBRL
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1C	ZINC000040564367	569508915	/nfs/dbraw/zinc/50/89/15/569508915.db2.gz	ZHSDQSIPIYLKPS-MEFZMRIGSA-N	-2	0	431.491	3.693	40	10		IHCBRL
Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1C	ZINC000009265515	132311971	/nfs/dbraw/zinc/31/19/71/132311971.db2.gz	FPAJYFYKKMAJIF-MOSHPQCFSA-N	-2	0	445.500	3.624	40	10		IHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000408961316	556900826	/nfs/dbraw/zinc/90/08/26/556900826.db2.gz	RKCIBUNWKZQILJ-XDHOZWIPSA-N	-2	0	446.415	3.628	40	10		IHCBRL
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000409133766	556968405	/nfs/dbraw/zinc/96/84/05/556968405.db2.gz	RNYWWLDKXVDWFU-CPNJWEJPSA-N	-2	0	445.500	3.624	40	10		IHCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)c1	ZINC000409192929	556992426	/nfs/dbraw/zinc/99/24/26/556992426.db2.gz	GEJQSXBQNGOKHC-IYSPOMMRSA-N	-2	0	431.448	3.570	40	10		IHCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000409196391	556994450	/nfs/dbraw/zinc/99/44/50/556994450.db2.gz	ZWNFRPPWAZTMCX-IYSPOMMRSA-N	-2	0	447.516	3.735	40	10		IHCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000015013104	556484210	/nfs/dbraw/zinc/48/42/10/556484210.db2.gz	LASXPKWCGXMZJI-KWZJRMENSA-N	-2	0	438.436	3.671	40	10		IHCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409188340	556988312	/nfs/dbraw/zinc/98/83/12/556988312.db2.gz	GUROIPSWLIBTGA-GZTJUZNOSA-N	-2	0	436.420	3.615	40	10		IHCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-]	ZINC000409190541	556991491	/nfs/dbraw/zinc/99/14/91/556991491.db2.gz	RYVSMPVTNDCLGJ-SEEODLKFSA-N	-2	0	449.246	3.512	40	10		IHCBRL
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000409190835	556991503	/nfs/dbraw/zinc/99/15/03/556991503.db2.gz	WRXMWUINEXBIEB-ITRAFESCSA-N	-2	0	447.516	3.681	40	10		IHCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000409243276	557033206	/nfs/dbraw/zinc/03/32/06/557033206.db2.gz	ZRSBGXYVLKXRQD-DEDYPNTBSA-N	-2	0	445.500	3.624	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104090831	557320076	/nfs/dbraw/zinc/32/00/76/557320076.db2.gz	SOYVDBUUZKUJMU-LRVSTDGRSA-N	-2	0	434.481	3.757	40	10		IHCBRL
CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408945176	556897428	/nfs/dbraw/zinc/89/74/28/556897428.db2.gz	WCWSDIKUJIHIJZ-CPNJWEJPSA-N	-2	0	430.416	3.603	40	10		IHCBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)c1	ZINC000408692758	556096225	/nfs/dbraw/zinc/09/62/25/556096225.db2.gz	UNNKZKWPPRZIIO-XNTDXEJSSA-N	-2	0	428.828	3.703	40	10		IHCBRL
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3occ(C)c3C)cc2)c(=O)[n-]1	ZINC000017021136	556653251	/nfs/dbraw/zinc/65/32/51/556653251.db2.gz	FHUOFRNKDSACOY-QURGRASLSA-N	-2	0	434.503	3.912	40	10		IHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1C	ZINC000408849602	556870362	/nfs/dbraw/zinc/87/03/62/556870362.db2.gz	XBGXTFWSMKVRFH-XDHOZWIPSA-N	-2	0	430.416	3.928	40	10		IHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408908462	556886978	/nfs/dbraw/zinc/88/69/78/556886978.db2.gz	CPVFWTCWDVVNCD-DEDYPNTBSA-N	-2	0	443.459	3.767	40	10		IHCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)ccc21	ZINC000409195953	556994172	/nfs/dbraw/zinc/99/41/72/556994172.db2.gz	XDKASXJBISHDPR-OOIIIRTPSA-N	-2	0	437.839	3.607	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104091043	557320450	/nfs/dbraw/zinc/32/04/50/557320450.db2.gz	SDZSHIYIHKWCSG-SIUCFOQUSA-N	-2	0	440.510	3.819	40	10		IHCBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1	ZINC000408917533	556888961	/nfs/dbraw/zinc/88/89/61/556888961.db2.gz	WNTFZSMKVNXOTJ-BOPFTXTBSA-N	-2	0	436.420	3.615	40	10		IHCBRL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038173293	569260208	/nfs/dbraw/zinc/26/02/08/569260208.db2.gz	VYSIIBGQIUAOQE-OQLLNIDSSA-N	-2	0	441.465	3.933	40	10		IHCBRL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)c1	ZINC000408768889	556847091	/nfs/dbraw/zinc/84/70/91/556847091.db2.gz	LBXBSKCXNBPUJY-KGENOOAVSA-N	-2	0	442.427	3.630	40	10		IHCBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc12	ZINC000409193681	556993005	/nfs/dbraw/zinc/99/30/05/556993005.db2.gz	LBLDFPAWFLRKFB-CPNJWEJPSA-N	-2	0	446.484	3.768	40	10		IHCBRL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000016688971	556626933	/nfs/dbraw/zinc/62/69/33/556626933.db2.gz	ZUHRVYAWPXDFBD-YVLHZVERSA-N	-2	0	438.436	3.672	40	10		IHCBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000408843553	556868409	/nfs/dbraw/zinc/86/84/09/556868409.db2.gz	FZUMUQVCAHOPQM-WUXMJOGZSA-N	-2	0	439.624	3.614	40	10		IHCBRL
CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000409238308	557019828	/nfs/dbraw/zinc/01/98/28/557019828.db2.gz	MRKUCACATQCECT-XMHGGMMESA-N	-2	0	445.500	3.569	40	10		IHCBRL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1Cl	ZINC000408739553	556210702	/nfs/dbraw/zinc/21/07/02/556210702.db2.gz	CPCCXUUHCPMYHQ-WJDWOHSUSA-N	-2	0	436.807	3.965	40	10		IHCBRL
COc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)[O-])cc(C(=O)[O-])c3)C2=O)cc1OC	ZINC000008820681	556221050	/nfs/dbraw/zinc/22/10/50/556221050.db2.gz	USJWZRHZIDWWDP-OMCISZLKSA-N	-2	0	445.474	3.506	40	10		IHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)cc1	ZINC000409193377	556992742	/nfs/dbraw/zinc/99/27/42/556992742.db2.gz	JSXCCMYNQQPRDV-NFECSFHCSA-N	-2	0	431.448	3.516	40	10		IHCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)ccc21	ZINC000409195954	556994182	/nfs/dbraw/zinc/99/41/82/556994182.db2.gz	XDKASXJBISHDPR-PBSOMRJOSA-N	-2	0	437.839	3.607	40	10		IHCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1	ZINC000409190013	556995948	/nfs/dbraw/zinc/99/59/48/556995948.db2.gz	UPGOZBSRGSPMPY-BRFSQIRFSA-N	-2	0	447.516	3.735	40	10		IHCBRL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)[N-]C1=S	ZINC000409241041	557031200	/nfs/dbraw/zinc/03/12/00/557031200.db2.gz	MZZCLVANALHQMI-SFQUDFHCSA-N	-2	0	432.457	3.785	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104091037	557320412	/nfs/dbraw/zinc/32/04/12/557320412.db2.gz	SDZSHIYIHKWCSG-NFFVOIMASA-N	-2	0	440.510	3.819	40	10		IHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Cl)c3[O-])C2=O)cc1	ZINC000059426734	557823586	/nfs/dbraw/zinc/82/35/86/557823586.db2.gz	NTOPIRFRNDCESB-QPEQYQDCSA-N	-2	0	435.661	3.783	40	10		IHCBRL
CCCC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(OC)c1[O-]	ZINC000101549847	568791692	/nfs/dbraw/zinc/79/16/92/568791692.db2.gz	LVVCJJQEKBFDIF-MHWRWJLKSA-N	-2	0	425.397	3.594	40	10		IHCBRL
COc1ccccc1N1C(=O)C(=Cc2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000032121179	556533386	/nfs/dbraw/zinc/53/33/86/556533386.db2.gz	ROAVLEGPJJGNBH-LGMDPLHJSA-N	-2	0	447.472	3.856	40	10		IHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408909304	556887327	/nfs/dbraw/zinc/88/73/27/556887327.db2.gz	GHGGWOZGGGREBU-YBFXNURJSA-N	-2	0	447.422	3.598	40	10		IHCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408913559	556889411	/nfs/dbraw/zinc/88/94/11/556889411.db2.gz	LVRPRPHSWQNOIN-RGVLZGJSSA-N	-2	0	447.422	3.598	40	10		IHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4[O-])o3)C2=O)cc1	ZINC000408989604	556910756	/nfs/dbraw/zinc/91/07/56/556910756.db2.gz	UFWMJWQWULFDIB-PDGQHHTCSA-N	-2	0	447.403	3.789	40	10		IHCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-]	ZINC000409188846	556988725	/nfs/dbraw/zinc/98/87/25/556988725.db2.gz	GVUBIGWNNSFNFN-XNFYSYIQSA-N	-2	0	449.246	3.512	40	10		IHCBRL
CC(C)n1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000015228986	557460169	/nfs/dbraw/zinc/46/01/69/557460169.db2.gz	RYVBJSCCXDSGNR-WOJGMQOQSA-N	-2	0	433.489	3.752	40	10		IHCBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C(=O)[O-]	ZINC000010038281	132334315	/nfs/dbraw/zinc/33/43/15/132334315.db2.gz	GQDILFNZBOLPQU-MDWZMJQESA-N	-2	0	449.246	3.757	40	10		IHCBRL
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(F)cc1	ZINC000017302774	527261364	/nfs/dbraw/zinc/26/13/64/527261364.db2.gz	BSFZQINPSIDCHP-HNENSFHCSA-N	-2	0	426.403	3.593	40	10		IHCBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)ccc1Br	ZINC000016282187	556596697	/nfs/dbraw/zinc/59/66/97/556596697.db2.gz	IQHPJAWLSRBWKT-GHXNOFRVSA-N	-2	0	446.213	3.878	40	10		IHCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408776337	556847376	/nfs/dbraw/zinc/84/73/76/556847376.db2.gz	YTZPKQYAQGGPBP-FYJGNVAPSA-N	-2	0	443.459	3.767	40	10		IHCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000408846118	556868944	/nfs/dbraw/zinc/86/89/44/556868944.db2.gz	OWRGXAITAXNWIJ-XDHOZWIPSA-N	-2	0	446.415	3.628	40	10		IHCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)o1	ZINC000408959999	556899967	/nfs/dbraw/zinc/89/99/67/556899967.db2.gz	BQRMJZWNUUUNHJ-WOJGMQOQSA-N	-2	0	434.379	3.759	40	10		IHCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)o1	ZINC000408962479	556901324	/nfs/dbraw/zinc/90/13/24/556901324.db2.gz	YMWDSNMHRNKOJU-LDADJPATSA-N	-2	0	432.457	3.785	40	10		IHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1C	ZINC000059336729	557822406	/nfs/dbraw/zinc/82/24/06/557822406.db2.gz	HBUBMDXMVXGGFX-UNOMPAQXSA-N	-2	0	430.416	3.928	40	10		IHCBRL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)[N-]C1=S	ZINC000211063337	569261430	/nfs/dbraw/zinc/26/14/30/569261430.db2.gz	KDXKVNCZGZZYMP-SFQUDFHCSA-N	-2	0	432.457	3.785	40	10		IHCBRL
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1C	ZINC000040564364	569508942	/nfs/dbraw/zinc/50/89/42/569508942.db2.gz	ZHSDQSIPIYLKPS-XTIFCCNPSA-N	-2	0	431.491	3.693	40	10		IHCBRL
COc1cccc(/C=C2/SC(=S)N(c3cc(C(=O)[O-])cc(C(=O)[O-])c3)C2=O)c1OC	ZINC000008820683	556221099	/nfs/dbraw/zinc/22/10/99/556221099.db2.gz	FRGIVUSSYJCWPH-OQLLNIDSSA-N	-2	0	445.474	3.506	40	10		IHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1	ZINC000408785809	556855846	/nfs/dbraw/zinc/85/58/46/556855846.db2.gz	CCFNVLFPCXJIIS-XDHOZWIPSA-N	-2	0	430.416	3.928	40	10		IHCBRL
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1[O-]	ZINC000408913099	556887560	/nfs/dbraw/zinc/88/75/60/556887560.db2.gz	KPUFEAMJUUSSRC-XGICHPGQSA-N	-2	0	439.624	3.614	40	10		IHCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1	ZINC000408934469	556895479	/nfs/dbraw/zinc/89/54/79/556895479.db2.gz	AYHRZNPPKQUHOV-KGENOOAVSA-N	-2	0	442.427	3.630	40	10		IHCBRL
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)c1	ZINC000409190231	556991212	/nfs/dbraw/zinc/99/12/12/556991212.db2.gz	QFQSIDRRVJRFMR-CPNJWEJPSA-N	-2	0	445.500	3.624	40	10		IHCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)ccc21	ZINC000409195729	556994017	/nfs/dbraw/zinc/99/40/17/556994017.db2.gz	VPDXNZFAISVBNR-YXHQGMJNSA-N	-2	0	437.839	3.607	40	10		IHCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1	ZINC000409190014	556995976	/nfs/dbraw/zinc/99/59/76/556995976.db2.gz	UPGOZBSRGSPMPY-GYZOOYGHSA-N	-2	0	447.516	3.735	40	10		IHCBRL
CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409190027	556995992	/nfs/dbraw/zinc/99/59/92/556995992.db2.gz	UUJWFHFWGOJSCQ-CPNJWEJPSA-N	-2	0	446.484	3.768	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000033913886	557810125	/nfs/dbraw/zinc/81/01/25/557810125.db2.gz	QHKWERGKKORRBD-KTZOAPACSA-N	-2	0	438.896	3.893	40	10		IHCBRL
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3occ(C)c3C)cc2)c(=O)[n-]1	ZINC000104090687	557320035	/nfs/dbraw/zinc/32/00/35/557320035.db2.gz	FHUOFRNKDSACOY-DQRAZIAOSA-N	-2	0	434.503	3.912	40	10		IHCBRL
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000016160760	557153685	/nfs/dbraw/zinc/15/36/85/557153685.db2.gz	HLIIFWLUUZOPLN-YBEGLDIGSA-N	-2	0	447.232	3.708	40	10		IHCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000095606352	563194145	/nfs/dbraw/zinc/19/41/45/563194145.db2.gz	SOYVDBUUZKUJMU-BBJJLJPOSA-N	-2	0	434.481	3.757	40	10		IHCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)cc1C	ZINC000409192199	556992197	/nfs/dbraw/zinc/99/21/97/556992197.db2.gz	VNEHJOUUEKYZFB-UZUMKDMXSA-N	-2	0	447.516	3.735	40	10		IHCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)c1C	ZINC000409194224	556993211	/nfs/dbraw/zinc/99/32/11/556993211.db2.gz	PFRFVWRMVPIXTD-GYZOOYGHSA-N	-2	0	447.516	3.735	40	10		IHCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)cc1C	ZINC000409193983	556993232	/nfs/dbraw/zinc/99/32/32/556993232.db2.gz	JPQWMCLCYFRUGL-IYSPOMMRSA-N	-2	0	431.448	3.570	40	10		IHCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000002215592	536183820	/nfs/dbraw/zinc/18/38/20/536183820.db2.gz	ZAOPLYDDMFMYON-CPNJWEJPSA-N	-2	0	430.416	3.874	40	10		IHCBRL
Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1C	ZINC000009263197	556270198	/nfs/dbraw/zinc/27/01/98/556270198.db2.gz	QYNVLHGCLMSACP-MOSHPQCFSA-N	-2	0	445.500	3.624	40	10		IHCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)[N-]C2=S)cc1C	ZINC000409192198	556992132	/nfs/dbraw/zinc/99/21/32/556992132.db2.gz	VNEHJOUUEKYZFB-IYSPOMMRSA-N	-2	0	447.516	3.735	40	10		IHCBRL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O	ZINC000409232260	557023890	/nfs/dbraw/zinc/02/38/90/557023890.db2.gz	NMOATDCFMIGGNP-GHRIWEEISA-N	-2	0	446.415	3.710	40	10		IHCBRL
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cn(CC(=O)[O-])c2ccccc12	ZINC000059639079	557824215	/nfs/dbraw/zinc/82/42/15/557824215.db2.gz	YBYQELOXMJDMLE-PXNMLYILSA-N	-2	0	437.839	3.884	40	10		IHCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000096475861	557838194	/nfs/dbraw/zinc/83/81/94/557838194.db2.gz	HCWPJFWOJXXEJQ-YBFXNURJSA-N	-2	0	433.420	3.888	40	10		IHCBRL