smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)NC(=O)C1=Cc1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21	ZINC000408865944	556873388	/nfs/dbraw/zinc/87/33/88/556873388.db2.gz	FJVYAFUACDJCHW-UHFFFAOYSA-N	-1	1	433.445	3.241	40	10		IGCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000408880390	556876252	/nfs/dbraw/zinc/87/62/52/556876252.db2.gz	JQSBIMAQOISONI-UHFFFAOYSA-N	-1	1	434.876	3.371	40	10		IGCBMM
CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)[N-]C1=S	ZINC000408911486	556888179	/nfs/dbraw/zinc/88/81/79/556888179.db2.gz	NMVUSPMGOQQBKY-RIYZIHGNSA-N	-1	1	449.301	3.424	40	10		IGCBMM
CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)C(=O)[N-]C1=S	ZINC000408917037	556888655	/nfs/dbraw/zinc/88/86/55/556888655.db2.gz	LHAQYRNWDXGNGO-XNTDXEJSSA-N	-1	1	431.311	3.285	40	10		IGCBMM
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)NC2=S)c1	ZINC000409189033	556990898	/nfs/dbraw/zinc/99/08/98/556990898.db2.gz	HMWYNRUIEVIRQA-CRRKTRLDSA-N	-1	1	433.489	3.427	40	10		IGCBMM
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409263339	557041065	/nfs/dbraw/zinc/04/10/65/557041065.db2.gz	MEOFJIJXUPILQY-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409263339	557041068	/nfs/dbraw/zinc/04/10/68/557041068.db2.gz	MEOFJIJXUPILQY-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
CCc1ccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1	ZINC000409370412	557089374	/nfs/dbraw/zinc/08/93/74/557089374.db2.gz	QLSJVEACNKBFEX-CPNJWEJPSA-N	-1	1	432.505	3.280	40	10		IGCBMM
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000033489202	557808928	/nfs/dbraw/zinc/80/89/28/557808928.db2.gz	MPYYKYLGUZSARU-DEDYPNTBSA-N	-1	1	444.443	3.434	40	10		IGCBMM
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2)c1	ZINC000408695625	556097751	/nfs/dbraw/zinc/09/77/51/556097751.db2.gz	WWKMDVUWLDAUTG-DEDYPNTBSA-N	-1	1	434.448	3.368	40	10		IGCBMM
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)[N-]C1=S	ZINC000408910942	556887973	/nfs/dbraw/zinc/88/79/73/556887973.db2.gz	MCQLWXXDHBISCS-OQLLNIDSSA-N	-1	1	449.301	3.424	40	10		IGCBMM
CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)C(=O)[N-]C1=S	ZINC000409206933	556996439	/nfs/dbraw/zinc/99/64/39/556996439.db2.gz	NKUCHYNWHNVLFU-OQLLNIDSSA-N	-1	1	445.566	3.206	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccccc1Cl	ZINC000059535863	557827494	/nfs/dbraw/zinc/82/74/94/557827494.db2.gz	IBMPODLKCVTSFG-UHFFFAOYSA-N	-1	1	437.304	3.495	40	10		IGCBMM
COc1cc(Br)c(Br)c(C=C2SC(=S)[N-]C2=O)c1O	ZINC000016194668	556589514	/nfs/dbraw/zinc/58/95/14/556589514.db2.gz	KHYSZMKBBNJCCY-FARCUNLSSA-N	-1	1	425.123	3.415	40	10		IGCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000408848487	556870036	/nfs/dbraw/zinc/87/00/36/556870036.db2.gz	VILISVRLGRXDEC-NTUHNPAUSA-N	-1	1	431.788	3.019	40	10		IGCBMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1	ZINC000408872595	556875262	/nfs/dbraw/zinc/87/52/62/556875262.db2.gz	GYDDUZMSGXIDIT-UHFFFAOYSA-N	-1	1	437.304	3.495	40	10		IGCBMM
Cc1cccc(COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)c1	ZINC000408876202	556876630	/nfs/dbraw/zinc/87/66/30/556876630.db2.gz	NRNAWOAKNRKIHG-UHFFFAOYSA-N	-1	1	431.311	3.251	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1Cc1ccccc1F	ZINC000408884630	556877691	/nfs/dbraw/zinc/87/76/91/556877691.db2.gz	VCUYMJVXYZKJOG-UHFFFAOYSA-N	-1	1	449.301	3.102	40	10		IGCBMM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)NC1=S	ZINC000409173402	556984554	/nfs/dbraw/zinc/98/45/54/556984554.db2.gz	MELFTOHVMJCZIO-FOWTUZBSSA-N	-1	1	448.456	3.485	40	10		IGCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409187979	556988341	/nfs/dbraw/zinc/98/83/41/556988341.db2.gz	DXLBYPSQCKHDOO-QCUKBLKESA-N	-1	1	433.489	3.427	40	10		IGCBMM
O=C(Cn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2	ZINC000409349199	557077207	/nfs/dbraw/zinc/07/72/07/557077207.db2.gz	VJOVTBGSOZYEAO-CNHKJKLMSA-N	-1	1	437.502	3.498	40	10		IGCBMM
CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000408536627	555773232	/nfs/dbraw/zinc/77/32/32/555773232.db2.gz	AERBXOIDUFEPNS-UHFFFAOYSA-N	-1	1	425.279	3.166	40	10		IGCBMM
CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000408536627	555773234	/nfs/dbraw/zinc/77/32/34/555773234.db2.gz	AERBXOIDUFEPNS-UHFFFAOYSA-N	-1	1	425.279	3.166	40	10		IGCBMM
Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)cc1C	ZINC000408810998	556862476	/nfs/dbraw/zinc/86/24/76/556862476.db2.gz	QJDLNFIRHYPNPN-UHFFFAOYSA-N	-1	1	429.270	3.394	40	10		IGCBMM
Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)cc1C	ZINC000408810998	556862481	/nfs/dbraw/zinc/86/24/81/556862481.db2.gz	QJDLNFIRHYPNPN-UHFFFAOYSA-N	-1	1	429.270	3.394	40	10		IGCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1C	ZINC000408849747	556870386	/nfs/dbraw/zinc/87/03/86/556870386.db2.gz	YIHFFEFFFJFIRK-OVCLIPMQSA-N	-1	1	444.896	3.252	40	10		IGCBMM
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)NC2=S)cc1	ZINC000409015294	556920691	/nfs/dbraw/zinc/92/06/91/556920691.db2.gz	ZIVZGOOSCWEHHB-LDADJPATSA-N	-1	1	448.456	3.485	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409079183	556948991	/nfs/dbraw/zinc/94/89/91/556948991.db2.gz	KXROUNFPNYFLDC-UHFFFAOYSA-N	-1	1	437.355	3.320	40	10		IGCBMM
CC[C@@H](C)Oc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)cc1OC	ZINC000409391851	557096550	/nfs/dbraw/zinc/09/65/50/557096550.db2.gz	LVLROAPSEPAAAP-CEXMDJMXSA-N	-1	1	441.347	3.282	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1Cc1cccc(F)c1	ZINC000408873787	556875850	/nfs/dbraw/zinc/87/58/50/556875850.db2.gz	VTPABRBKGVONML-UHFFFAOYSA-N	-1	1	449.301	3.102	40	10		IGCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)cc1	ZINC000409193736	556992968	/nfs/dbraw/zinc/99/29/68/556992968.db2.gz	LSYAYFUNQDOYQP-FOWTUZBSSA-N	-1	1	435.436	3.146	40	10		IGCBMM
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-]	ZINC000106374661	569260477	/nfs/dbraw/zinc/26/04/77/569260477.db2.gz	JXTQZYLYDSCAAF-CCNLRRDASA-N	-1	1	436.464	3.127	40	10		IGCBMM
CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3[O-])C(=O)NC2=S)c1	ZINC000408741515	556214390	/nfs/dbraw/zinc/21/43/90/556214390.db2.gz	MLORVGRSTJOKRV-AUWJEWJLSA-N	-1	1	447.856	3.184	40	10		IGCBMM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1C	ZINC000016349983	556601997	/nfs/dbraw/zinc/60/19/97/556601997.db2.gz	BHJRYJDMDPTQAU-LCYFTJDESA-N	-1	1	439.384	3.046	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000408887484	556879375	/nfs/dbraw/zinc/87/93/75/556879375.db2.gz	OUFSBHISAPUPGB-UHFFFAOYSA-N	-1	1	435.274	3.082	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	ZINC000409076449	556944032	/nfs/dbraw/zinc/94/40/32/556944032.db2.gz	BDZJWSFESNCEMD-UHFFFAOYSA-N	-1	1	437.355	3.320	40	10		IGCBMM
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)c1	ZINC000409270440	557042723	/nfs/dbraw/zinc/04/27/23/557042723.db2.gz	GBJWJKHHCBZVOY-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)c1	ZINC000409270440	557042727	/nfs/dbraw/zinc/04/27/27/557042727.db2.gz	GBJWJKHHCBZVOY-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
Cc1cc([O-])c(S(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000026786867	557248831	/nfs/dbraw/zinc/24/88/31/557248831.db2.gz	IEUPNRHJFAKMBB-UHFFFAOYSA-N	-1	1	448.478	3.242	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000100790025	557276236	/nfs/dbraw/zinc/27/62/36/557276236.db2.gz	YPORQKIALNXQEO-FTGFMQHASA-N	-1	1	435.469	3.152	40	10		IGCBMM
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c(=O)[nH]1	ZINC000104090702	557320031	/nfs/dbraw/zinc/32/00/31/557320031.db2.gz	KPYAVRQTZSHBFX-VHXPQNKSSA-N	-1	1	446.518	3.109	40	10		IGCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000059535811	557827409	/nfs/dbraw/zinc/82/74/09/557827409.db2.gz	ILIWBINUBNMTMG-UHFFFAOYSA-N	-1	1	434.876	3.371	40	10		IGCBMM
Cc1cc(C(=O)[O-])ccc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O	ZINC000408552765	555880967	/nfs/dbraw/zinc/88/09/67/555880967.db2.gz	VDFYIMNXUYOUDO-WQLSENKSSA-N	-1	1	433.848	3.229	40	10		IGCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OC(C)=O	ZINC000013914677	556662112	/nfs/dbraw/zinc/66/21/12/556662112.db2.gz	LHLTXCVYYGDFDO-WDZFZDKYSA-N	-1	1	449.291	3.104	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)C(=O)N1	ZINC000408812857	556863017	/nfs/dbraw/zinc/86/30/17/556863017.db2.gz	XJRNPECOFOWSNN-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)C(=O)N1	ZINC000408812857	556863021	/nfs/dbraw/zinc/86/30/21/556863021.db2.gz	XJRNPECOFOWSNN-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1cc(C)cc(C)c1	ZINC000408870353	556874689	/nfs/dbraw/zinc/87/46/89/556874689.db2.gz	VXPPWWIATBOXAB-UHFFFAOYSA-N	-1	1	443.297	3.415	40	10		IGCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1cc(C)cc(C)c1	ZINC000408870353	556874692	/nfs/dbraw/zinc/87/46/92/556874692.db2.gz	VXPPWWIATBOXAB-UHFFFAOYSA-N	-1	1	443.297	3.415	40	10		IGCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)cc1	ZINC000409191633	556991975	/nfs/dbraw/zinc/99/19/75/556991975.db2.gz	JSSUIHUIUWWISL-YRNVUSSQSA-N	-1	1	437.296	3.040	40	10		IGCBMM
Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000409189451	556995817	/nfs/dbraw/zinc/99/58/17/556995817.db2.gz	GSCJFBADAWGIJC-CPNJWEJPSA-N	-1	1	431.473	3.315	40	10		IGCBMM
CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)[N-]C1=S	ZINC000409393557	557097838	/nfs/dbraw/zinc/09/78/38/557097838.db2.gz	YMICAMIAULKGHR-XDHOZWIPSA-N	-1	1	446.532	3.235	40	10		IGCBMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1	ZINC000224084608	557558446	/nfs/dbraw/zinc/55/84/46/557558446.db2.gz	DYSMRFXAWGZWPI-UHFFFAOYSA-N	-1	1	439.537	3.492	40	10		IGCBMM
Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000408805881	556861087	/nfs/dbraw/zinc/86/10/87/556861087.db2.gz	IAMJPPYHQWPEEK-UHFFFAOYSA-N	-1	1	429.270	3.394	40	10		IGCBMM
Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000408805881	556861088	/nfs/dbraw/zinc/86/10/88/556861088.db2.gz	IAMJPPYHQWPEEK-UHFFFAOYSA-N	-1	1	429.270	3.394	40	10		IGCBMM
Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c1	ZINC000408900081	556881994	/nfs/dbraw/zinc/88/19/94/556881994.db2.gz	SPLWXFWURADUBA-UHFFFAOYSA-N	-1	1	429.270	3.394	40	10		IGCBMM
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c1	ZINC000408900081	556881997	/nfs/dbraw/zinc/88/19/97/556881997.db2.gz	SPLWXFWURADUBA-UHFFFAOYSA-N	-1	1	429.270	3.394	40	10		IGCBMM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000038160496	557203507	/nfs/dbraw/zinc/20/35/07/557203507.db2.gz	KMQAIOHCLXXFQR-RIYZIHGNSA-N	-1	1	427.369	3.214	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1Sc1cccc2cccnc21	ZINC000059488617	557825715	/nfs/dbraw/zinc/82/57/15/557825715.db2.gz	AECSRRQUUQCBHL-UHFFFAOYSA-N	-1	1	436.474	3.209	40	10		IGCBMM
COCc1nc(N2CCN(c3ccc(OC)cc3)CC2)[n-]c(=O)c1CCc1ccccc1	ZINC000022448795	523214952	/nfs/dbraw/zinc/21/49/52/523214952.db2.gz	XLWKZKYZUZHRAD-UHFFFAOYSA-N	-1	1	434.540	3.037	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N1	ZINC000408810584	556862115	/nfs/dbraw/zinc/86/21/15/556862115.db2.gz	JEPXRIFGONQNAF-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N1	ZINC000408810584	556862118	/nfs/dbraw/zinc/86/21/18/556862118.db2.gz	JEPXRIFGONQNAF-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409187977	556988273	/nfs/dbraw/zinc/98/82/73/556988273.db2.gz	DXLBYPSQCKHDOO-CRRKTRLDSA-N	-1	1	433.489	3.427	40	10		IGCBMM
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)NC2=S)c1	ZINC000409189034	556990887	/nfs/dbraw/zinc/99/08/87/556990887.db2.gz	HMWYNRUIEVIRQA-QCUKBLKESA-N	-1	1	433.489	3.427	40	10		IGCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1OC(C)C	ZINC000409190844	556991516	/nfs/dbraw/zinc/99/15/16/556991516.db2.gz	RGCAWZUDRFCODL-LFIBNONCSA-N	-1	1	440.477	3.012	40	10		IGCBMM
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)[O-]	ZINC000059136165	557815883	/nfs/dbraw/zinc/81/58/83/557815883.db2.gz	UKLRGDJFNITPAS-UKTHLTGXSA-N	-1	1	444.440	3.359	40	10		IGCBMM
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000107632859	569260449	/nfs/dbraw/zinc/26/04/49/569260449.db2.gz	TZKPRYKAOUQXKZ-ZENNRRHLSA-N	-1	1	430.844	3.052	40	10		IGCBMM
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)[N-]C1=S	ZINC000032193962	556537109	/nfs/dbraw/zinc/53/71/09/556537109.db2.gz	ILRCSVKOAVZISC-XNTDXEJSSA-N	-1	1	431.311	3.285	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	ZINC000043888300	556665488	/nfs/dbraw/zinc/66/54/88/556665488.db2.gz	FUEQWUQEKJEBIC-WWDJGNSZSA-N	-1	1	449.496	3.461	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21	ZINC000408866104	556873645	/nfs/dbraw/zinc/87/36/45/556873645.db2.gz	DMKNRTMYZSJBIR-UHFFFAOYSA-N	-1	1	433.445	3.241	40	10		IGCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1Cc1ccccc1Br	ZINC000408873539	556875607	/nfs/dbraw/zinc/87/56/07/556875607.db2.gz	VRPVPAZPLCOBRG-UHFFFAOYSA-N	-1	1	445.338	3.353	40	10		IGCBMM
COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408892494	556881391	/nfs/dbraw/zinc/88/13/91/556881391.db2.gz	ZYAZKMOCOPSIPW-UHFFFAOYSA-N	-1	1	437.304	3.495	40	10		IGCBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccnc1	ZINC000409192042	556991946	/nfs/dbraw/zinc/99/19/46/556991946.db2.gz	TUXVJHNYJAGSPJ-YBFXNURJSA-N	-1	1	446.488	3.019	40	10		IGCBMM
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000409192517	556992516	/nfs/dbraw/zinc/99/25/16/556992516.db2.gz	YHLROZPAFTXCGR-HGLKBHAMSA-N	-1	1	430.869	3.023	40	10		IGCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1	ZINC000408734851	556201446	/nfs/dbraw/zinc/20/14/46/556201446.db2.gz	GFXRCNZRQZBUCL-UHFFFAOYSA-N	-1	1	445.269	3.176	40	10		IGCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1	ZINC000408734851	556201449	/nfs/dbraw/zinc/20/14/49/556201449.db2.gz	GFXRCNZRQZBUCL-UHFFFAOYSA-N	-1	1	445.269	3.176	40	10		IGCBMM
CCN(CC)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000011859302	556368140	/nfs/dbraw/zinc/36/81/40/556368140.db2.gz	XCUBUHGHBHQVCH-SQGPQFPESA-N	-1	1	436.434	3.032	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1	ZINC000408881147	556878271	/nfs/dbraw/zinc/87/82/71/556878271.db2.gz	JVGXJTYEYKBMRY-UHFFFAOYSA-N	-1	1	430.913	3.459	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000409058718	556935889	/nfs/dbraw/zinc/93/58/89/556935889.db2.gz	SRCGSUILQUTXNI-UHFFFAOYSA-N	-1	1	436.207	3.230	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000409058718	556935891	/nfs/dbraw/zinc/93/58/91/556935891.db2.gz	SRCGSUILQUTXNI-UHFFFAOYSA-N	-1	1	436.207	3.230	40	10		IGCBMM
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409097794	556953774	/nfs/dbraw/zinc/95/37/74/556953774.db2.gz	HJLKRXKFUCYXQG-CPNJWEJPSA-N	-1	1	431.473	3.315	40	10		IGCBMM
COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409193360	556992727	/nfs/dbraw/zinc/99/27/27/556992727.db2.gz	JODHDARWXHMFSH-PDGQHHTCSA-N	-1	1	432.457	3.378	40	10		IGCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)cc1	ZINC000409193286	556992737	/nfs/dbraw/zinc/99/27/37/556992737.db2.gz	IKBZCBNVJXARBC-GHRIWEEISA-N	-1	1	439.493	3.190	40	10		IGCBMM
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)NC2=S)c1	ZINC000409234951	557025747	/nfs/dbraw/zinc/02/57/47/557025747.db2.gz	BGWGCYMVUUAZDT-CPNJWEJPSA-N	-1	1	431.473	3.315	40	10		IGCBMM
CCN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000409391229	557095784	/nfs/dbraw/zinc/09/57/84/557095784.db2.gz	ICMILUINRBXTRB-WOJGMQOQSA-N	-1	1	434.477	3.244	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000102735964	557131863	/nfs/dbraw/zinc/13/18/63/557131863.db2.gz	QHKWERGKKORRBD-PCJMVEANSA-N	-1	1	438.896	3.464	40	10		IGCBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)NC1=S	ZINC000059249571	557819194	/nfs/dbraw/zinc/81/91/94/557819194.db2.gz	NVDFNPRDZVKTGY-NTEUORMPSA-N	-1	1	444.896	3.197	40	10		IGCBMM
COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC	ZINC000211963792	569261455	/nfs/dbraw/zinc/26/14/55/569261455.db2.gz	UNQMZMCNFZITBN-LICLKQGHSA-N	-1	1	430.507	3.210	40	10		IGCBMM
Cc1c(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cccc1C(=O)[O-]	ZINC000408550889	555852487	/nfs/dbraw/zinc/85/24/87/555852487.db2.gz	KNTDPLRVKBPMJU-WQLSENKSSA-N	-1	1	433.848	3.229	40	10		IGCBMM
O=C([O-])c1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1	ZINC000408694853	556097121	/nfs/dbraw/zinc/09/71/21/556097121.db2.gz	NGLXQHQENAMPEE-CPNJWEJPSA-N	-1	1	434.448	3.368	40	10		IGCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1cccc2ccccc21	ZINC000408882931	556878514	/nfs/dbraw/zinc/87/85/14/556878514.db2.gz	PPYYFMJWXRDJEV-UHFFFAOYSA-N	-1	1	446.484	3.372	40	10		IGCBMM
O=C1[N-]C(=S)S/C1=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000408994475	556912984	/nfs/dbraw/zinc/91/29/84/556912984.db2.gz	ZKNGDBOBIGLLHE-ZROIWOOFSA-N	-1	1	442.507	3.211	40	10		IGCBMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1	ZINC000409019233	556923772	/nfs/dbraw/zinc/92/37/72/556923772.db2.gz	QCVGNTNAPOHFJZ-LDADJPATSA-N	-1	1	435.436	3.146	40	10		IGCBMM
COc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409188194	556988403	/nfs/dbraw/zinc/98/84/03/556988403.db2.gz	BPCPLIFISGFVQV-HTMJNSLASA-N	-1	1	449.488	3.127	40	10		IGCBMM
CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409188885	556988983	/nfs/dbraw/zinc/98/89/83/556988983.db2.gz	BPRAMNXKVCZVGU-GDNBJRDFSA-N	-1	1	430.869	3.268	40	10		IGCBMM
Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409191996	556991910	/nfs/dbraw/zinc/99/19/10/556991910.db2.gz	RZOJGHGYWLEDPT-QGOAFFKASA-N	-1	1	431.473	3.315	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000113838240	557307874	/nfs/dbraw/zinc/30/78/74/557307874.db2.gz	GOVOUAQDQUFGKZ-UHFFFAOYSA-N	-1	1	437.355	3.320	40	10		IGCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1Br	ZINC000408875171	556874441	/nfs/dbraw/zinc/87/44/41/556874441.db2.gz	GPMDKTPCNJPLIN-UHFFFAOYSA-N	-1	1	449.688	3.451	40	10		IGCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1Br	ZINC000408875171	556874445	/nfs/dbraw/zinc/87/44/45/556874445.db2.gz	GPMDKTPCNJPLIN-UHFFFAOYSA-N	-1	1	449.688	3.451	40	10		IGCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1ccccc1F	ZINC000408877247	556876885	/nfs/dbraw/zinc/87/68/85/556876885.db2.gz	UMYHOAKDPPCXML-UHFFFAOYSA-N	-1	1	447.260	3.327	40	10		IGCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1ccccc1F	ZINC000408877247	556876888	/nfs/dbraw/zinc/87/68/88/556876888.db2.gz	UMYHOAKDPPCXML-UHFFFAOYSA-N	-1	1	447.260	3.327	40	10		IGCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1ccccc1Cl	ZINC000408878395	556877426	/nfs/dbraw/zinc/87/74/26/556877426.db2.gz	AJEYFJDWUSSKBS-UHFFFAOYSA-N	-1	1	449.688	3.451	40	10		IGCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1ccccc1Cl	ZINC000408878395	556877429	/nfs/dbraw/zinc/87/74/29/556877429.db2.gz	AJEYFJDWUSSKBS-UHFFFAOYSA-N	-1	1	449.688	3.451	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3cc(Br)ccc3Br)o2)C(=O)N1	ZINC000409116603	556959814	/nfs/dbraw/zinc/95/98/14/556959814.db2.gz	PTLGLRCTTXVIIR-UHFFFAOYSA-N	-1	1	440.047	3.221	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(-c3cc(Br)ccc3Br)o2)C(=O)N1	ZINC000409116603	556959816	/nfs/dbraw/zinc/95/98/16/556959816.db2.gz	PTLGLRCTTXVIIR-UHFFFAOYSA-N	-1	1	440.047	3.221	40	10		IGCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)cc1	ZINC000409189221	556990875	/nfs/dbraw/zinc/99/08/75/556990875.db2.gz	MZJKUXWLJQCIFE-WUXMJOGZSA-N	-1	1	437.296	3.040	40	10		IGCBMM
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000409193152	556992692	/nfs/dbraw/zinc/99/26/92/556992692.db2.gz	CUSRRHFSQBVYEW-CPNJWEJPSA-N	-1	1	447.472	3.015	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000034478358	556577932	/nfs/dbraw/zinc/57/79/32/556577932.db2.gz	YPORQKIALNXQEO-IUBFCHALSA-N	-1	1	435.469	3.152	40	10		IGCBMM
CCc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)cc1	ZINC000409377602	557093285	/nfs/dbraw/zinc/09/32/85/557093285.db2.gz	IQPYXPDTSAHGCL-WOJGMQOQSA-N	-1	1	433.489	3.120	40	10		IGCBMM
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000109036975	569261039	/nfs/dbraw/zinc/26/10/39/569261039.db2.gz	OIUIQOUNHSPBOU-XSFVSMFZSA-N	-1	1	444.443	3.434	40	10		IGCBMM
Cc1cccc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000408872110	556875283	/nfs/dbraw/zinc/87/52/83/556875283.db2.gz	KNYURDPUQGBPIJ-UHFFFAOYSA-N	-1	1	431.311	3.251	40	10		IGCBMM
Cc1ccc(COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)cc1	ZINC000408876592	556876623	/nfs/dbraw/zinc/87/66/23/556876623.db2.gz	MOKHSKHXEUMUOR-UHFFFAOYSA-N	-1	1	431.311	3.251	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1	ZINC000408896555	556881203	/nfs/dbraw/zinc/88/12/03/556881203.db2.gz	OHKSGKLHAPTLFK-UHFFFAOYSA-N	-1	1	430.913	3.459	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F	ZINC000408917469	556888906	/nfs/dbraw/zinc/88/89/06/556888906.db2.gz	VBTBTNIONWVWBH-NTUHNPAUSA-N	-1	1	434.876	3.323	40	10		IGCBMM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)NC1=S	ZINC000409173470	556984496	/nfs/dbraw/zinc/98/44/96/556984496.db2.gz	NSADMESYFUSQPG-FOWTUZBSSA-N	-1	1	448.456	3.485	40	10		IGCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)c(Br)c(Br)c1O	ZINC000013549656	557351037	/nfs/dbraw/zinc/35/10/37/557351037.db2.gz	BNELWBBQZRXBBD-UTCJRWHESA-N	-1	1	425.123	3.415	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1	ZINC000059488626	557825683	/nfs/dbraw/zinc/82/56/83/557825683.db2.gz	QSDNMYIMZYYNIL-UHFFFAOYSA-N	-1	1	442.503	3.270	40	10		IGCBMM
C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)[O-]	ZINC000059678292	557828327	/nfs/dbraw/zinc/82/83/27/557828327.db2.gz	LACJNFGLGQXQIO-YAFRSCOQSA-N	-1	1	430.869	3.023	40	10		IGCBMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(=O)N1CCC(C)CC1	ZINC000408703240	556107835	/nfs/dbraw/zinc/10/78/35/556107835.db2.gz	PFLWOMUGFIRVSU-UHFFFAOYSA-N	-1	1	432.498	3.097	40	10		IGCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1cccc(F)c1	ZINC000408881071	556878182	/nfs/dbraw/zinc/87/81/82/556878182.db2.gz	LPROVIVYWUMZGA-UHFFFAOYSA-N	-1	1	447.260	3.327	40	10		IGCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1cccc(F)c1	ZINC000408881071	556878183	/nfs/dbraw/zinc/87/81/83/556878183.db2.gz	LPROVIVYWUMZGA-UHFFFAOYSA-N	-1	1	447.260	3.327	40	10		IGCBMM
CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1C	ZINC000408912308	556886293	/nfs/dbraw/zinc/88/62/93/556886293.db2.gz	FDBBBGUHUSCDLW-OQLLNIDSSA-N	-1	1	445.566	3.206	40	10		IGCBMM
CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c2C)cc1	ZINC000409145194	556976493	/nfs/dbraw/zinc/97/64/93/556976493.db2.gz	NIEHHHBYQNPMDY-UYRXBGFRSA-N	-1	1	439.537	3.308	40	10		IGCBMM
CCN1C(=O)C(=Cc2cn(CC(=O)NCc3ccccc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000059087102	557813773	/nfs/dbraw/zinc/81/37/73/557813773.db2.gz	LUDWGOFWRCDUAL-XDHOZWIPSA-N	-1	1	446.532	3.445	40	10		IGCBMM
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000107632867	569260480	/nfs/dbraw/zinc/26/04/80/569260480.db2.gz	TZKPRYKAOUQXKZ-CDCQXCROSA-N	-1	1	430.844	3.052	40	10		IGCBMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1	ZINC000224097780	557560475	/nfs/dbraw/zinc/56/04/75/557560475.db2.gz	VMCIJQYAVABJIR-UHFFFAOYSA-N	-1	1	439.537	3.492	40	10		IGCBMM
Cc1ccc(C(=O)[O-])cc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O	ZINC000408550977	555852894	/nfs/dbraw/zinc/85/28/94/555852894.db2.gz	LDQBMEMKCUYDKO-WQLSENKSSA-N	-1	1	433.848	3.229	40	10		IGCBMM
CCCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000016639132	556619517	/nfs/dbraw/zinc/61/95/17/556619517.db2.gz	IORBVLHDCZRCSW-UHFFFAOYSA-N	-1	1	446.095	3.140	40	10		IGCBMM
CCCCOc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000016639132	556619518	/nfs/dbraw/zinc/61/95/18/556619518.db2.gz	IORBVLHDCZRCSW-UHFFFAOYSA-N	-1	1	446.095	3.140	40	10		IGCBMM
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000408854577	556871656	/nfs/dbraw/zinc/87/16/56/556871656.db2.gz	ISNZQGDPISEDKY-OQLLNIDSSA-N	-1	1	444.896	3.197	40	10		IGCBMM
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000408893469	556881764	/nfs/dbraw/zinc/88/17/64/556881764.db2.gz	ASRWMUHURDUDTL-RIYZIHGNSA-N	-1	1	431.788	3.019	40	10		IGCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1O[C@@H](C)CC	ZINC000408916944	556888639	/nfs/dbraw/zinc/88/86/39/556888639.db2.gz	JECGFVUQIUAKLN-QVIVLVACSA-N	-1	1	441.347	3.282	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1	ZINC000408914913	556890102	/nfs/dbraw/zinc/89/01/02/556890102.db2.gz	ZSGZSABLZGRFJF-OVCLIPMQSA-N	-1	1	430.913	3.493	40	10		IGCBMM
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409100210	556955212	/nfs/dbraw/zinc/95/52/12/556955212.db2.gz	UMJHFSQSSIMQCR-CPNJWEJPSA-N	-1	1	447.472	3.015	40	10		IGCBMM
Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@@H](C)C(=O)[O-])c2)C(=O)NC1=S	ZINC000409194182	556993161	/nfs/dbraw/zinc/99/31/61/556993161.db2.gz	NYYLJQGFWLNPBM-IQGJIOQQSA-N	-1	1	433.489	3.427	40	10		IGCBMM
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1Cl	ZINC000409269633	557042486	/nfs/dbraw/zinc/04/24/86/557042486.db2.gz	KYFFOIOTQUZADN-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1Cl	ZINC000409269633	557042488	/nfs/dbraw/zinc/04/24/88/557042488.db2.gz	KYFFOIOTQUZADN-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	ZINC000104090819	557320123	/nfs/dbraw/zinc/32/01/23/557320123.db2.gz	FUEQWUQEKJEBIC-KRXRYSOXSA-N	-1	1	449.496	3.461	40	10		IGCBMM
CCN1C(=O)C(=Cc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)C(=O)[N-]C1=S	ZINC000059182292	557817804	/nfs/dbraw/zinc/81/78/04/557817804.db2.gz	CAXZERVVNRLXBW-LDADJPATSA-N	-1	1	438.553	3.387	40	10		IGCBMM
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000083327291	556663771	/nfs/dbraw/zinc/66/37/71/556663771.db2.gz	DOMXLBXYIIBODG-UXBLZVDNSA-N	-1	1	432.345	3.019	40	10		IGCBMM
CCOC(=O)c1sc(=NNC2=NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)S2)[n-]c1C	ZINC000017221812	556673765	/nfs/dbraw/zinc/67/37/65/556673765.db2.gz	QTTBBTAPWAAFNE-XYOKQWHBSA-N	-1	1	433.471	3.123	40	10		IGCBMM
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2)cc1	ZINC000408692419	556095618	/nfs/dbraw/zinc/09/56/18/556095618.db2.gz	MBVNZEXLWUQQKX-DEDYPNTBSA-N	-1	1	434.448	3.368	40	10		IGCBMM
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c(=O)[nH]1	ZINC000017021142	556653405	/nfs/dbraw/zinc/65/34/05/556653405.db2.gz	KPYAVRQTZSHBFX-WCWDXBQESA-N	-1	1	446.518	3.109	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1c(Oc2nc(Cl)ncc2F)ccc2ccccc21	ZINC000409067550	556942329	/nfs/dbraw/zinc/94/23/29/556942329.db2.gz	YVBYUUDNKGHDNK-UHFFFAOYSA-N	-1	1	428.832	3.129	40	10		IGCBMM
COc1cccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)NC2=S)c1	ZINC000032116794	556532809	/nfs/dbraw/zinc/53/28/09/556532809.db2.gz	JOCWMKFICHTULF-KMTKGMGQSA-N	-1	1	434.477	3.249	40	10		IGCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O	ZINC000408847850	556869609	/nfs/dbraw/zinc/86/96/09/556869609.db2.gz	WCARHXIPJRQQGJ-AWNIVKPZSA-N	-1	1	445.815	3.327	40	10		IGCBMM
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409255310	557034626	/nfs/dbraw/zinc/03/46/26/557034626.db2.gz	JLAQTHFLHBZQRW-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409255310	557034632	/nfs/dbraw/zinc/03/46/32/557034632.db2.gz	JLAQTHFLHBZQRW-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	ZINC000104090824	557320061	/nfs/dbraw/zinc/32/00/61/557320061.db2.gz	FUEQWUQEKJEBIC-LYEHZDMLSA-N	-1	1	449.496	3.461	40	10		IGCBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033489203	557808823	/nfs/dbraw/zinc/80/88/23/557808823.db2.gz	LDOVWSPMMVTVHH-MOSHPQCFSA-N	-1	1	444.443	3.434	40	10		IGCBMM
CCCCCCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000408539266	555790124	/nfs/dbraw/zinc/79/01/24/555790124.db2.gz	UYTUEEQZHCEDFW-UHFFFAOYSA-N	-1	1	441.347	3.331	40	10		IGCBMM
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1	ZINC000408695743	556098049	/nfs/dbraw/zinc/09/80/49/556098049.db2.gz	YBLRPEVGELKXFM-CPNJWEJPSA-N	-1	1	434.448	3.368	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(CCOc2ccccc2Cl)c2ccccc12	ZINC000006475177	556833802	/nfs/dbraw/zinc/83/38/02/556833802.db2.gz	OWFVVRSCNRZJQC-UHFFFAOYSA-N	-1	1	425.897	3.288	40	10		IGCBMM
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408852132	556869821	/nfs/dbraw/zinc/86/98/21/556869821.db2.gz	CMAJVAQVQFIFAX-RMKNXTFCSA-N	-1	1	438.248	3.439	40	10		IGCBMM
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1	ZINC000408899101	556883683	/nfs/dbraw/zinc/88/36/83/556883683.db2.gz	ZAWSQWDSZBUBQL-UHFFFAOYSA-N	-1	1	429.270	3.394	40	10		IGCBMM
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1	ZINC000408899101	556883688	/nfs/dbraw/zinc/88/36/88/556883688.db2.gz	ZAWSQWDSZBUBQL-UHFFFAOYSA-N	-1	1	429.270	3.394	40	10		IGCBMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OC(C)C	ZINC000409196190	556994495	/nfs/dbraw/zinc/99/44/95/556994495.db2.gz	XMUQDMREJVVSRT-MHWRWJLKSA-N	-1	1	440.477	3.012	40	10		IGCBMM
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@H](C)C(=O)[O-]	ZINC000106374664	569260563	/nfs/dbraw/zinc/26/05/63/569260563.db2.gz	JXTQZYLYDSCAAF-JPVKTXQWSA-N	-1	1	436.464	3.127	40	10		IGCBMM
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000109036972	569261066	/nfs/dbraw/zinc/26/10/66/569261066.db2.gz	OIUIQOUNHSPBOU-ZHZULCJRSA-N	-1	1	444.443	3.434	40	10		IGCBMM
COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000409172716	556983983	/nfs/dbraw/zinc/98/39/83/556983983.db2.gz	GYFPBEYSRGOBOA-GHRIWEEISA-N	-1	1	447.472	3.015	40	10		IGCBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccccn1	ZINC000409191999	556992037	/nfs/dbraw/zinc/99/20/37/556992037.db2.gz	SBVWHPQJUCNQMK-LDADJPATSA-N	-1	1	446.488	3.019	40	10		IGCBMM
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000409192518	556992540	/nfs/dbraw/zinc/99/25/40/556992540.db2.gz	YHLROZPAFTXCGR-KBVGCWLLSA-N	-1	1	430.869	3.023	40	10		IGCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)NC2=S)cc1	ZINC000409193800	556992974	/nfs/dbraw/zinc/99/29/74/556992974.db2.gz	MPPIGBRSGOTFMM-LDADJPATSA-N	-1	1	435.436	3.146	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000113830881	557306992	/nfs/dbraw/zinc/30/69/92/557306992.db2.gz	TUEXWKRRRIEWRK-UHFFFAOYSA-N	-1	1	437.304	3.495	40	10		IGCBMM
C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)[O-]	ZINC000059678294	557828296	/nfs/dbraw/zinc/82/82/96/557828296.db2.gz	LACJNFGLGQXQIO-HPUUJOOBSA-N	-1	1	430.869	3.023	40	10		IGCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc(C)c1	ZINC000408804750	556860540	/nfs/dbraw/zinc/86/05/40/556860540.db2.gz	HEHAAIJYUMLVMW-UHFFFAOYSA-N	-1	1	445.269	3.095	40	10		IGCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc(C)c1	ZINC000408804750	556860543	/nfs/dbraw/zinc/86/05/43/556860543.db2.gz	HEHAAIJYUMLVMW-UHFFFAOYSA-N	-1	1	445.269	3.095	40	10		IGCBMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000408870641	556874745	/nfs/dbraw/zinc/87/47/45/556874745.db2.gz	UDQRODSIOXNLOB-UHFFFAOYSA-N	-1	1	437.304	3.495	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)C(=O)N1	ZINC000408890193	556879114	/nfs/dbraw/zinc/87/91/14/556879114.db2.gz	PMCZCWSCELDVRJ-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccccc3Br)c(Cl)c2)C(=O)N1	ZINC000408890193	556879117	/nfs/dbraw/zinc/87/91/17/556879117.db2.gz	PMCZCWSCELDVRJ-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1	ZINC000408887631	556879366	/nfs/dbraw/zinc/87/93/66/556879366.db2.gz	PVWLFVRQGULTON-UHFFFAOYSA-N	-1	1	435.274	3.082	40	10		IGCBMM
CN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)[N-]C1=S	ZINC000408915495	556890308	/nfs/dbraw/zinc/89/03/08/556890308.db2.gz	WIMYWGMEWBNGBL-RUDMXATFSA-N	-1	1	426.237	3.418	40	10		IGCBMM
Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@H](C)C(=O)[O-])c2)C(=O)NC1=S	ZINC000409194183	556993180	/nfs/dbraw/zinc/99/31/80/556993180.db2.gz	NYYLJQGFWLNPBM-RFRKOGIWSA-N	-1	1	433.489	3.427	40	10		IGCBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000033489201	557808579	/nfs/dbraw/zinc/80/85/79/557808579.db2.gz	MPYYKYLGUZSARU-MOSHPQCFSA-N	-1	1	444.443	3.434	40	10		IGCBMM
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000408935141	556895457	/nfs/dbraw/zinc/89/54/57/556895457.db2.gz	MQMQBTYNMQNYLN-QGOAFFKASA-N	-1	1	431.473	3.315	40	10		IGCBMM
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000409189024	556990930	/nfs/dbraw/zinc/99/09/30/556990930.db2.gz	HFHVUGPSTJLUSX-ZRRZQRFHSA-N	-1	1	430.869	3.023	40	10		IGCBMM
Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)c1	ZINC000409236441	557018611	/nfs/dbraw/zinc/01/86/11/557018611.db2.gz	GHOBADXDSCGDPH-LICLKQGHSA-N	-1	1	433.489	3.174	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000104090844	557320530	/nfs/dbraw/zinc/32/05/30/557320530.db2.gz	YPORQKIALNXQEO-XZSMOWGESA-N	-1	1	435.469	3.152	40	10		IGCBMM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc2c(c1)C(=O)NC2=O	ZINC000016160801	556586127	/nfs/dbraw/zinc/58/61/27/556586127.db2.gz	GGQWQJQCGZUIEW-SXGWCWSVSA-N	-1	1	425.242	3.051	40	10		IGCBMM
CCN1C(=O)C(=Cc2cc(OC)c([O-])c(Br)c2Br)NC1=S	ZINC000409005912	556915778	/nfs/dbraw/zinc/91/57/78/556915778.db2.gz	HBHJNUZOANKGJX-DAXSKMNVSA-N	-1	1	436.125	3.003	40	10		IGCBMM
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000409192621	556992471	/nfs/dbraw/zinc/99/24/71/556992471.db2.gz	CWZJRZMHPRWBOS-CPNJWEJPSA-N	-1	1	431.473	3.315	40	10		IGCBMM
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000409226554	557014292	/nfs/dbraw/zinc/01/42/92/557014292.db2.gz	UNOBRUGIQPYVII-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000409226554	557014296	/nfs/dbraw/zinc/01/42/96/557014296.db2.gz	UNOBRUGIQPYVII-UHFFFAOYSA-N	-1	1	448.262	3.069	40	10		IGCBMM
CC[C@H](C)Oc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)cc1OC	ZINC000409391852	557096432	/nfs/dbraw/zinc/09/64/32/557096432.db2.gz	LVLROAPSEPAAAP-QVIVLVACSA-N	-1	1	441.347	3.282	40	10		IGCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000106693490	557156106	/nfs/dbraw/zinc/15/61/06/557156106.db2.gz	LUBAZAQGFFCJSF-ZDLGFXPLSA-N	-1	1	428.470	3.163	40	10		IGCBMM
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000107937340	569260691	/nfs/dbraw/zinc/26/06/91/569260691.db2.gz	NJDJVFIDDLNXEY-XSFVSMFZSA-N	-1	1	444.443	3.434	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)C(=O)N1	ZINC000408806870	556859049	/nfs/dbraw/zinc/85/90/49/556859049.db2.gz	CBDRQVBZQLKOSJ-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)C(=O)N1	ZINC000408806870	556859051	/nfs/dbraw/zinc/85/90/51/556859051.db2.gz	CBDRQVBZQLKOSJ-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)c1C	ZINC000408850644	556870713	/nfs/dbraw/zinc/87/07/13/556870713.db2.gz	QCBYMDYBELNENH-RIYZIHGNSA-N	-1	1	444.896	3.252	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1	ZINC000408875292	556874741	/nfs/dbraw/zinc/87/47/41/556874741.db2.gz	IUVWRLQZONAMSM-UHFFFAOYSA-N	-1	1	437.304	3.495	40	10		IGCBMM
O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000409072749	556946247	/nfs/dbraw/zinc/94/62/47/556946247.db2.gz	DFGQHPJXPRYBNR-UHFFFAOYSA-N	-1	1	435.219	3.020	40	10		IGCBMM
COc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409188197	556988335	/nfs/dbraw/zinc/98/83/35/556988335.db2.gz	BPCPLIFISGFVQV-RNEAKCBISA-N	-1	1	449.488	3.127	40	10		IGCBMM
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000409189023	556990912	/nfs/dbraw/zinc/99/09/12/556990912.db2.gz	HFHVUGPSTJLUSX-BTAWCLGRSA-N	-1	1	430.869	3.023	40	10		IGCBMM
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)ccc21	ZINC000409192534	556992463	/nfs/dbraw/zinc/99/24/63/556992463.db2.gz	YLMROCPTPCCBFT-YGRGUWMTSA-N	-1	1	437.452	3.257	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	ZINC000100789922	557276251	/nfs/dbraw/zinc/27/62/51/557276251.db2.gz	FUEQWUQEKJEBIC-ZFZZVZNFSA-N	-1	1	449.496	3.461	40	10		IGCBMM
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000107937336	569260623	/nfs/dbraw/zinc/26/06/23/569260623.db2.gz	NJDJVFIDDLNXEY-ZHZULCJRSA-N	-1	1	444.443	3.434	40	10		IGCBMM
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc([N+](=O)[O-])c1O	ZINC000036613189	556507482	/nfs/dbraw/zinc/50/74/82/556507482.db2.gz	RPTPILRJOPAQIF-UKTHLTGXSA-N	-1	1	426.472	3.155	40	10		IGCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1O[C@H](C)CC	ZINC000408916943	556888614	/nfs/dbraw/zinc/88/86/14/556888614.db2.gz	JECGFVUQIUAKLN-CEXMDJMXSA-N	-1	1	441.347	3.282	40	10		IGCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F	ZINC000408915573	556890378	/nfs/dbraw/zinc/89/03/78/556890378.db2.gz	YCDNBRFBGQIKGK-NTUHNPAUSA-N	-1	1	436.306	3.252	40	10		IGCBMM
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000408941298	556896684	/nfs/dbraw/zinc/89/66/84/556896684.db2.gz	VLQCOTJJDPQHJF-CPNJWEJPSA-N	-1	1	431.473	3.315	40	10		IGCBMM
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc12	ZINC000409194552	556993386	/nfs/dbraw/zinc/99/33/86/556993386.db2.gz	PQEHVWCMDZURLO-LDADJPATSA-N	-1	1	432.457	3.378	40	10		IGCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000104090839	557320535	/nfs/dbraw/zinc/32/05/35/557320535.db2.gz	YPORQKIALNXQEO-ANEHGGCBSA-N	-1	1	435.469	3.152	40	10		IGCBMM
O=C(Oc1ccc(/C=C2\SC(=S)[N-]C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000013549732	557351006	/nfs/dbraw/zinc/35/10/06/557351006.db2.gz	HOZAUJCRLNXCHL-RZNTYIFUSA-N	-1	1	431.407	3.211	40	10		IGCBMM
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408904067	556883578	/nfs/dbraw/zinc/88/35/78/556883578.db2.gz	DEJFCGUHJUTBGW-BJMVGYQFSA-N	-1	1	438.248	3.439	40	10		IGCBMM
Cc1c(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000408913122	556889093	/nfs/dbraw/zinc/88/90/93/556889093.db2.gz	SQXYHBHFFHCIOP-WOJGMQOQSA-N	-1	1	434.477	3.163	40	10		IGCBMM
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000409194139	556993156	/nfs/dbraw/zinc/99/31/56/556993156.db2.gz	OHNJMSCUKZGXDP-LFIBNONCSA-N	-1	1	440.477	3.014	40	10		IGCBMM
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1	ZINC000409195781	556993921	/nfs/dbraw/zinc/99/39/21/556993921.db2.gz	VZCDEPMRZPHARG-GZTJUZNOSA-N	-1	1	440.477	3.014	40	10		IGCBMM
CCN1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)[N-]C1=S	ZINC000409393253	557097461	/nfs/dbraw/zinc/09/74/61/557097461.db2.gz	WNAIWQCEIPUYEV-WOJGMQOQSA-N	-1	1	434.477	3.244	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Br)C(=O)N1	ZINC000408879739	556876007	/nfs/dbraw/zinc/87/60/07/556876007.db2.gz	FDWFAPDEVFJWPV-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Br)C(=O)N1	ZINC000408879739	556876009	/nfs/dbraw/zinc/87/60/09/556876009.db2.gz	FDWFAPDEVFJWPV-UHFFFAOYSA-N	-1	1	435.661	3.431	40	10		IGCBMM
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)[N-]C1=S	ZINC000408915817	556890526	/nfs/dbraw/zinc/89/05/26/556890526.db2.gz	ZMURHNSLIRYZFP-NTEUORMPSA-N	-1	1	449.301	3.424	40	10		IGCBMM
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)ccc21	ZINC000409192532	556992478	/nfs/dbraw/zinc/99/24/78/556992478.db2.gz	YLMROCPTPCCBFT-PKVLTRFUSA-N	-1	1	437.452	3.257	40	10		IGCBMM
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)NC3=O)cc2OC)cc1	ZINC000002800804	568789511	/nfs/dbraw/zinc/78/95/11/568789511.db2.gz	DHDWDZRULORYIJ-UHFFFAOYSA-N	-1	1	446.868	3.331	40	10		IGCBMM
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=S)NC3=O)cc2OC)cc1	ZINC000002800804	568789514	/nfs/dbraw/zinc/78/95/14/568789514.db2.gz	DHDWDZRULORYIJ-UHFFFAOYSA-N	-1	1	446.868	3.331	40	10		IGCBMM
COc1ccc(C(=O)Oc2c(Cl)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OC)cc1	ZINC000002800804	568789516	/nfs/dbraw/zinc/78/95/16/568789516.db2.gz	DHDWDZRULORYIJ-UHFFFAOYSA-N	-1	1	446.868	3.331	40	10		IGCBMM
COC(=O)COc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2C)cc1	ZINC000108103074	569260771	/nfs/dbraw/zinc/26/07/71/569260771.db2.gz	GAKDSTSVBJKIJU-HMAPJEAMSA-N	-1	1	445.475	3.107	40	10		IGCBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000408915513	556890331	/nfs/dbraw/zinc/89/03/31/556890331.db2.gz	WSOSXYUPZZQDAX-VGOFMYFVSA-N	-1	1	434.876	3.323	40	10		IGCBMM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3O)C2=O)cc1	ZINC000409042563	556929520	/nfs/dbraw/zinc/92/95/20/556929520.db2.gz	NJBFRFJCBBKDBT-NTUHNPAUSA-N	-1	1	435.219	3.152	40	10		IGCBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1C(C)(C)C	ZINC000409191434	556991728	/nfs/dbraw/zinc/99/17/28/556991728.db2.gz	HHDRFUBWVIPFAI-GZTJUZNOSA-N	-1	1	425.510	3.389	40	10		IGCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000211968550	557411128	/nfs/dbraw/zinc/41/11/28/557411128.db2.gz	QQBLCEYTCBMPJA-LZYBPNLTSA-N	-1	1	445.478	3.110	40	10		IGCBMM